ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B RAW_VALUE_C BSUB_VALUE_C Z_SCORE_C COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A01 compound treatment -0.911 -0.389 -0.34 -1.645 -1.11 -1.06 -1.304 -0.835565830721003 -0.825310161076072 -1.2864 -0.9281 1965040 CMLD1_000001 CCCC=C(CCC)[C@@H](NC(=O)c1ccccc1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A02 compound treatment -2.246 -1.72 -1.52 -2.085 -1.55 -1.48 -1.643 -1.174565830721 -1.16014930159402 -2.4032 -0.9933 1965041 CMLD1_000002 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A03 compound treatment -0.226 0.296 0.26 0.277 0.81 0.77 -0.31 0.158434169278997 0.156489560678628 0.6872 0.8281 1965042 CMLD1_000003 CCCC=C(CCC)[C@@H](NC(=O)c1cccs1)c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A04 compound treatment -1.311 -0.789 -0.7 -0.949 -0.416 -0.4 -1.184 -0.715565830721003 -0.706783031689186 -1.0393 -0.9723 1965043 CMLD1_000004 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C=C3CN1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A05 compound treatment -1.147 -0.625 -0.55 -1.806 -1.27 -1.21 -1.089 -0.620565830721003 -0.612949054257902 -1.3728 -0.936 1965044 CMLD1_000005 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A06 compound treatment -2.189 -1.67 -1.47 -2.216 -1.68 -1.6 -2.265 -1.796565830721 -1.77451492224938 -2.8008 -0.9971 1965045 CMLD1_000006 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(OC)cc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A07 compound treatment -2.435 -1.91 -1.69 -1.974 -1.44 -1.37 -2.204 -1.735565830721 -1.71426363147771 -2.7585 -0.9953 1965046 CMLD1_000007 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A08 compound treatment -1.812 -1.29 -1.14 -1.964 -1.43 -1.36 -2.424 -1.955565830721 -1.931563368687 -2.5605 -0.9755 1965047 CMLD1_000008 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)c(F)c(F)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A09 compound treatment -1.754 -1.23 -1.09 -1.624 -1.09 -1.04 -2.169 -1.700565830721 -1.67969321873987 -2.1984 -0.9747 1965048 CMLD1_000009 CCCCC=C[C@@H](NC(=O)Oc1cccc(c1)C(F)(F)F)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A10 compound treatment -0.872 -0.35 -0.31 -1.59 -1.06 -1.01 -1.5 -1.031565830721 -1.01890447240798 -1.348 -0.9199 1965049 CMLD1_000010 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6c[nH]c7ccc(OC)cc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A11 compound treatment -1.981 -1.46 -1.29 -1.681 -1.15 -1.09 -1.83 -1.361565830721 -1.34485407822192 -2.1523 -0.9963 1965050 CMLD1_000011 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3cccs3)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A12 compound treatment -1.583 -1.06 -0.94 -2.265 -1.73 -1.65 -1.554 -1.085565830721 -1.07224168063208 -2.113 -0.9694 1965051 CMLD1_000012 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)o6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A13 compound treatment -3.173 -2.65 -2.34 -2.746 -2.21 -2.11 -2.082 -1.613565830721 -1.59376104993438 -3.4902 -0.9881 1965052 CMLD1_000013 CCCC=C(CCC)[C@@H](NC(=O)OCC(C)C)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A14 compound treatment -1.985 -1.46 -1.29 -1.603 -1.07 -1.02 -1.356 -0.887565830721003 -0.876671917143722 -1.8412 -0.987 1965053 CMLD1_000014 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(OC)c(Br)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A15 compound treatment -0.659 -0.137 -0.12 -0.738 -0.205 -0.2 -0.364 0.104434169278997 0.10315235245453 -0.1229 -0.4882 1965054 CMLD1_000015 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A16 compound treatment -2.016 -1.49 -1.32 -1.429 -0.896 -0.85 -1.206 -0.737565830721003 -0.728513005410115 -1.6758 -0.967 1965055 CMLD1_000016 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cccc7ccccc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A17 compound treatment -2.154 -1.63 -1.44 -2.19 -1.66 -1.58 -1.632 -1.163565830721 -1.14928431473356 -2.4077 -0.9918 1965056 CMLD1_000017 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A18 compound treatment -2.836 -2.31 -2.05 -2.137 -1.6 -1.53 -2.49 -2.021565830721 -1.99675328984979 -3.2159 -0.9922 1965057 CMLD1_000018 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A19 compound treatment -2.657 -2.13 -1.89 -2.732 -2.2 -2.09 -2.458 -1.989565830721 -1.96514605534662 -3.4336 -0.9991 1965058 CMLD1_000019 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A20 compound treatment -1.182 -0.66 -0.58 -1.113 -0.58 -0.55 -1.121 -0.652565830721003 -0.644556288761072 -1.0278 -0.9979 1965059 CMLD1_000020 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A21 compound treatment -1.959 -1.44 -1.27 -1.656 -1.12 -1.07 -2.11 -1.641565830721 -1.62141738012465 -2.287 -0.9854 1965060 CMLD1_000021 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A22 mock treatment 0.023 0.545 0.48 -0.849 -0.316 -0.3 -0.552 -0.083565830721003 -0.0825401502515907 0.057 0.0992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A23 mock treatment -1.5 -0.978 -0.86 -0.391 0.142 0.14 -1.333 -0.864565830721003 -0.853954217344569 -0.9139 -0.7476 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 A24 mock treatment -0.93 -0.408 -0.36 -1.015 -0.482 -0.46 -1.016 -0.547565830721003 -0.540845050547547 -0.7854 -0.987 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B01 compound treatment -1.762 -1.24 -1.1 -2.386 -1.85 -1.77 -2.071 -1.602565830721 -1.58289606307391 -2.5657 -0.9823 1965061 CMLD1_000022 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B02 compound treatment -2.43 -1.91 -1.69 -2.514 -1.98 -1.89 -2.568 -2.099565830721 -2.07379592395126 -3.2605 -0.9965 1965062 CMLD1_000023 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B03 compound treatment -2.139 -1.62 -1.43 -1.672 -1.14 -1.09 -2.015 -1.546565830721 -1.52758340269337 -2.3335 -0.9902 1965063 CMLD1_000024 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B04 compound treatment -1.169 -0.647 -0.57 -1.677 -1.14 -1.09 -1.8 -1.331565830721 -1.3152222958752 -1.7186 -0.9541 1965064 CMLD1_000025 CCOC(=O)N(CC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5ccccc5)CC4)S(=O)(=O)c6ccc(C)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B05 compound treatment -1.784 -1.26 -1.12 -2.386 -1.85 -1.77 -2.095 -1.626565830721 -1.60660148895129 -2.5907 -0.9833 1965065 CMLD1_000026 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B06 compound treatment -2.121 -1.6 -1.41 -2.118 -1.58 -1.51 -2.068 -1.599565830721 -1.57993288483924 -2.5999 -0.999 1965066 CMLD1_000027 CC(NP(=O)(c1ccccc1)c2ccccc2)C3(CC(=C)c4ccccc4)CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B07 compound treatment -1.647 -1.12 -0.99 -1.629 -1.1 -1.04 -1.627 -1.158565830721 -1.14434568434244 -1.8375 -0.9983 1965067 CMLD1_000028 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B08 compound treatment -2.246 -1.72 -1.52 -1.903 -1.37 -1.31 -1.898 -1.429565830721 -1.41201945154115 -2.4485 -0.998 1965068 CMLD1_000029 COC(=O)C1(C)NCC2=C(C)C(=O)C(C)C2=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B09 compound treatment -2.169 -1.65 -1.46 -1.921 -1.39 -1.32 -2.078 -1.609565830721 -1.58981014562148 -2.5217 -0.9972 1965069 CMLD1_000030 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCF 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B10 compound treatment -2.436 -1.91 -1.69 -2.221 -1.69 -1.61 -2.301 -1.832565830721 -1.81007306106544 -2.9502 -0.9988 1965070 CMLD1_000031 COC(=O)C1(Cc2ccccc2)NCC3=C(C(C)C)C(=O)C(C)C3=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B11 compound treatment -1.528 -1.01 -0.89 -1.606 -1.07 -1.02 -1.664 -1.195565830721 -1.18089154923673 -1.7852 -0.9934 1965071 CMLD1_000032 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B12 compound treatment -2.279 -1.76 -1.55 -2.212 -1.68 -1.6 -2.408 -1.939565830721 -1.91575975143542 -2.9261 -0.9955 1965072 CMLD1_000033 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1CCc5ccc(Cl)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B13 compound treatment -1.71 -1.19 -1.05 -2.12 -1.59 -1.51 -1.515 -1.046565830721 -1.03372036358135 -2.0758 -0.9833 1965073 CMLD1_000034 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CC7CC7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B14 compound treatment -3.185 -2.66 -2.35 -2.857 -2.32 -2.21 -3.125 -2.656565830721 -2.62395934952206 -4.1522 -0.9975 1965074 CMLD1_000035 COc1ccc(COC2OC[C@]3(C)[C@@H]4[C@H]2CCC5C(CO)C(CO)[C@@H](C)C(=C54)CN3C(=O)OC(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B15 compound treatment -2.193 -1.67 -1.48 -1.944 -1.41 -1.34 -1.919 -1.450565830721 -1.43276169918386 -2.456 -0.9992 1965075 CMLD1_000036 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B16 compound treatment -1.906 -1.38 -1.22 -2.093 -1.56 -1.49 -2.154 -1.685565830721 -1.66487732756651 -2.5254 -0.9923 1965076 CMLD1_000037 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccc(F)cc5)C=C21)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B17 compound treatment -2.206 -1.68 -1.49 -2.474 -1.94 -1.85 -1.829 -1.360565830721 -1.34386635214369 -2.7028 -0.9909 1965077 CMLD1_000038 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B18 compound treatment -2.759 -2.24 -1.98 -2.517 -1.98 -1.89 -2.068 -1.599565830721 -1.57993288483924 -3.145 -0.9956 1965078 CMLD1_000039 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B19 compound treatment -1.319 -0.797 -0.7 -1.419 -0.886 -0.84 -1.5 -1.031565830721 -1.01890447240798 -1.4821 -0.9889 1965079 CMLD1_000040 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B20 compound treatment -1.29 -0.768 -0.68 -1.265 -0.732 -0.7 -1.125 -0.656565830721003 -0.648507193073968 -1.1688 -0.9996 1965080 CMLD1_000041 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B21 compound treatment -1.92 -1.4 -1.24 -1.815 -1.28 -1.22 -1.887 -1.418565830721 -1.40115446468069 -2.2274 -0.998 1965081 CMLD1_000042 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B22 mock treatment -1.018 -0.496 -0.44 -0.887 -0.354 -0.34 -1.014 -0.545565830721003 -0.538869598391099 -0.7587 -0.9828 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B23 mock treatment -0.825 -0.303 -0.27 -0.646 -0.113 -0.11 -0.569 -0.100565830721003 -0.0993314935813993 -0.2739 -0.8982 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 B24 mock treatment -1.024 -0.502 -0.44 -1.182 -0.649 -0.62 -1.156 -0.687565830721003 -0.679126701498913 -1.005 -0.9855 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C01 compound treatment -1.137 -0.615 -0.54 -1.219 -0.686 -0.65 -1.459 -0.990565830721003 -0.978407703200799 -1.2559 -0.9691 1965082 CMLD1_000043 CCCC=C(CCC)[C@@H](NS(=O)(=O)CC1(CCC2CC1=O)C2(C)C)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C02 compound treatment -2.753 -2.23 -1.97 -2.544 -2.01 -1.92 -2.389 -1.920565830721 -1.89699295594916 -3.3398 -0.9999 1965083 CMLD1_000044 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C03 compound treatment -2.68 -2.16 -1.91 -2.179 -1.65 -1.57 -2.698 -2.229565830721 -2.20220031412039 -3.278 -0.9908 1965084 CMLD1_000045 CCCC=C(CCC)[C@@H](NC(=O)CCc1ccccc1)c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C04 compound treatment -1.924 -1.4 -1.24 -1.597 -1.06 -1.01 -2.175 -1.706565830721 -1.68561957520921 -2.2738 -0.9781 1965085 CMLD1_000046 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C05 compound treatment -1.18 -0.658 -0.58 -1.264 -0.731 -0.7 -0.884 -0.415565830721003 -0.410465208221973 -0.9747 -0.9789 1965086 CMLD1_000047 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C06 compound treatment -2.236 -1.71 -1.51 -2.472 -1.94 -1.85 -2.19 -1.721565830721 -1.70043546638257 -2.9229 -0.9968 1965087 CMLD1_000048 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C=C3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C07 compound treatment -0.752 -0.23 -0.2 -1.022 -0.489 -0.47 -0.789 -0.320565830721003 -0.316631230790689 -0.5689 -0.9503 1965088 CMLD1_000049 CCCCC=C[C@@H](NC(=O)CCc1ccccc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C08 compound treatment -0.917 -0.395 -0.35 -2.177 -1.64 -1.57 -1.551 -1.082565830721 -1.06927850239741 -1.7229 -0.8936 1965089 CMLD1_000050 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(C)onc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C09 compound treatment -1.177 -0.655 -0.58 -1.217 -0.684 -0.65 -1.011 -0.542565830721003 -0.535906420156427 -1.0197 -0.9967 1965090 CMLD1_000051 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4cccc(Cl)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C10 compound treatment -1.344 -0.822 -0.73 -1.881 -1.35 -1.28 -1.333 -0.864565830721003 -0.853954217344569 -1.6538 -0.9702 1965091 CMLD1_000052 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C11 compound treatment -1.359 -0.837 -0.74 -1.81 -1.28 -1.22 -1.485 -1.016565830721 -1.00408858123462 -1.7091 -0.981 1965092 CMLD1_000053 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3ccccc3)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C12 compound treatment -1.404 -0.882 -0.78 -2.059 -1.53 -1.45 -1.915 -1.446565830721 -1.42881079487096 -2.1142 -0.9688 1965093 CMLD1_000054 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C13 compound treatment -2.371 -1.85 -1.63 -1.837 -1.3 -1.24 -2.474 -2.005565830721 -1.9809496725982 -2.8045 -0.9831 1965094 CMLD1_000055 CCCCC=C[C@@H](NC(=O)c1ccccc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C14 compound treatment -2.059 -1.54 -1.36 -1.948 -1.41 -1.35 -1.98 -1.511565830721 -1.49301298995553 -2.4245 -0.9989 1965095 CMLD1_000056 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C15 compound treatment -2.013 -1.49 -1.32 -1.767 -1.23 -1.18 -2.09 -1.621565830721 -1.60166285856017 -2.3642 -0.9917 1965096 CMLD1_000057 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C16 compound treatment -1.831 -1.31 -1.16 -1.667 -1.13 -1.08 -2.226 -1.757565830721 -1.73599360519864 -2.2939 -0.9764 1965097 CMLD1_000058 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C17 compound treatment -1.764 -1.24 -1.1 -1.574 -1.04 -0.99 -1.06 -0.591565830721003 -0.584304997989405 -1.5436 -0.9705 1965098 CMLD1_000059 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NS(=O)(=O)c3cccc4cccnc34)c5ccc(cc5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C18 compound treatment -2.648 -2.13 -1.88 -2.208 -1.67 -1.6 -2.09 -1.621565830721 -1.60166285856017 -2.9309 -0.997 1965099 CMLD1_000060 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(OC)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C19 compound treatment -1.057 -0.535 -0.47 -1.15 -0.617 -0.59 -1.071 -0.602565830721003 -0.595169984849869 -0.9558 -0.9949 1965100 CMLD1_000061 CC(C)(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@]2(C)C[C@H]2C3CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C20 compound treatment -1.122 -0.6 -0.53 -1.426 -0.893 -0.85 -1.18 -0.711565830721003 -0.70283212737629 -1.2029 -0.9827 1965101 CMLD1_000062 CCCCC=C[C@@H](NC(=O)OCC#C)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C21 compound treatment -2.114 -1.59 -1.41 -2.386 -1.85 -1.77 -2.012 -1.543565830721 -1.5246202244587 -2.7118 -0.9955 1965060 CMLD1_000063 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C22 mock treatment -0.865 -0.343 -0.3 -1.154 -0.621 -0.59 -1.275 -0.806565830721003 -0.796666104807574 -0.9763 -0.9411 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C23 mock treatment -0.765 -0.243 -0.21 -0.934 -0.401 -0.38 -0.726 -0.257565830721003 -0.254404487862574 -0.4912 -0.9697 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 C24 mock treatment -1.158 -0.636 -0.56 -1.929 -1.4 -1.33 -1.471 -1.002565830721 -0.990260416139487 -1.6639 -0.9505 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D01 compound treatment -1.346 -0.824 -0.73 -1.487 -0.954 -0.91 -1.505 -1.036565830721 -1.0238431027991 -1.5362 -0.9907 1965102 CMLD1_000064 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccccn6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D02 compound treatment -1.921 -1.4 -1.24 -1.563 -1.03 -0.98 -2.044 -1.575565830721 -1.55622745896186 -2.1788 -0.983 1965103 CMLD1_000065 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D03 compound treatment -2.036 -1.51 -1.34 -1.894 -1.36 -1.3 -2.119 -1.650565830721 -1.63030691482867 -2.4624 -0.9946 1965104 CMLD1_000066 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC)c(OC)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D04 compound treatment -1.969 -1.45 -1.28 -2.169 -1.64 -1.56 -1.684 -1.215565830721 -1.20064607080121 -2.3314 -0.9936 1965105 CMLD1_000067 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5ccccc5)CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D05 compound treatment -1.942 -1.42 -1.26 -2.435 -1.9 -1.81 -1.637 -1.168565830721 -1.15422294512468 -2.4371 -0.9795 1965106 CMLD1_000068 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7nc8ccccc8[nH]7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D06 compound treatment -1.542 -1.02 -0.9 -2.203 -1.67 -1.59 -1.565 -1.096565830721 -1.08310666749255 -2.0642 -0.9713 1965107 CMLD1_000069 CC(=O)N1CC2(CC2)CC1c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D07 compound treatment -0.951 -0.429 -0.38 -0.314 0.219 0.21 -1.169 -0.700565830721003 -0.691967140515826 -0.4978 -0.61 1965108 CMLD1_000070 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(O)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D08 compound treatment -0.77 -0.248 -0.22 -1.934 -1.4 -1.33 -1.442 -0.973565830721003 -0.96161635987099 -1.4521 -0.875 1965109 CMLD1_000071 COC(=O)C1(C)NCC2=C(C(=O)C(C)C2=C1)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D09 compound treatment -0.905 -0.383 -0.34 -1.576 -1.04 -0.99 -1.315 -0.846565830721003 -0.836175147936536 -1.2517 -0.9327 1965110 CMLD1_000072 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCn7cc(nc7C)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D10 compound treatment -2.163 -1.64 -1.45 -1.939 -1.41 -1.34 -1.328 -0.859565830721003 -0.849015586953449 -2.1009 -0.9776 1965111 CMLD1_000073 COC(=O)C1(Cc2ccccc2)NCC3=C(C(=O)C(C)C3=C1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D11 compound treatment -1.009 -0.487 -0.43 -1.291 -0.758 -0.72 -1.348 -0.879565830721003 -0.86877010851793 -1.1668 -0.9653 1965112 CMLD1_000074 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D12 compound treatment -1.232 -0.71 -0.63 -1.509 -0.976 -0.93 -0.74 -0.271565830721003 -0.268232652957711 -1.0538 -0.9138 1965113 CMLD1_000075 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccco5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D13 compound treatment -1.134 -0.612 -0.54 -1.817 -1.28 -1.22 -1.4 -0.931565830721003 -0.92013186458558 -1.5496 -0.9546 1965057 CMLD1_000076 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D14 compound treatment -2.386 -1.86 -1.65 -1.897 -1.36 -1.3 -2.7 -2.231565830721 -2.20417576627684 -2.974 -0.9773 1965114 CMLD1_000077 C[C@@H]1C(CO)C(CO)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D15 compound treatment -2.112 -1.59 -1.41 -1.714 -1.18 -1.13 -1.765 -1.296565830721 -1.28065188313736 -2.2003 -0.996 1965115 CMLD1_000078 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D16 compound treatment -2.265 -1.74 -1.54 -2.5 -1.97 -1.87 -1.506 -1.037565830721 -1.02483082887733 -2.563 -0.9733 1965116 CMLD1_000079 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccc(F)cc6)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D17 compound treatment -2.319 -1.8 -1.59 -2.779 -2.25 -2.14 -1.687 -1.218565830721 -1.20360924903588 -2.8472 -0.9738 1965117 CMLD1_000080 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D18 compound treatment -1.561 -1.04 -0.92 -1.638 -1.1 -1.05 -1.578 -1.109565830721 -1.09594710650946 -1.7706 -0.9973 1965118 CMLD1_000081 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D19 compound treatment -0.881 -0.359 -0.32 -0.283 0.25 0.24 -1.333 -0.864565830721003 -0.853954217344569 -0.5385 -0.572 1965119 CMLD1_000082 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(C)n(C)n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D20 compound treatment -0.464 0.0584 0.05 -1.582 -1.05 -1.0 -1.095 -0.626565830721003 -0.618875410727247 -0.9044 -0.7687 1965120 CMLD1_000083 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D21 compound treatment -0.914 -0.392 -0.35 -1.909 -1.38 -1.31 -1.539 -1.070565830721 -1.05742578945872 -1.5672 -0.9115 1965121 CMLD1_000084 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCF 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D22 mock treatment 1.585 2.11 1.46 -0.774 -0.241 -0.23 -0.439 0.029434169278997 0.0290728965877263 0.726 0.4918 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D23 mock treatment -1.087 -0.565 -0.5 -1.304 -0.771 -0.73 -1.192 -0.723565830721003 -0.714684840314979 -1.1248 -0.9868 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 D24 mock treatment -0.884 -0.362 -0.32 -0.643 -0.11 -0.1 -0.205 0.263434169278997 0.260200798892153 -0.0948 -0.2229 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E01 compound treatment -1.94 -1.42 -1.25 -1.353 -0.82 -0.78 -1.136 -0.667565830721003 -0.659372179934432 -1.5552 -0.9616 1965122 CMLD1_000085 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E02 compound treatment -2.519 -2.0 -1.77 -2.171 -1.64 -1.56 -1.432 -0.963565830721003 -0.951739099088749 -2.4695 -0.9719 1965123 CMLD1_000086 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E03 compound treatment -1.983 -1.46 -1.29 -1.631 -1.1 -1.05 -1.45 -0.981565830721003 -0.969518168496782 -1.9092 -0.9923 1965124 CMLD1_000087 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E04 compound treatment -2.209 -1.69 -1.49 -1.573 -1.04 -0.99 -1.341 -0.872565830721003 -0.861856025970361 -1.9305 -0.9716 1965125 CMLD1_000088 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E05 compound treatment -1.902 -1.38 -1.22 -2.078 -1.54 -1.47 -1.551 -1.082565830721 -1.06927850239741 -2.1713 -0.9913 1965126 CMLD1_000089 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E06 compound treatment -2.701 -2.18 -1.93 -1.822 -1.29 -1.23 -2.038 -1.569565830721 -1.55030110249252 -2.716 -0.9838 1965127 CMLD1_000090 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E07 compound treatment -1.595 -1.07 -0.95 -2.125 -1.59 -1.52 -1.75 -1.281565830721 -1.265835991964 -2.1539 -0.983 1965128 CMLD1_000091 CCCCC=C[C@@H](NC(=O)C(C)(C)C)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E08 compound treatment -1.197 -0.675 -0.6 -1.567 -1.03 -0.98 -1.615 -1.146565830721 -1.13249297140375 -1.5668 -0.9701 1965129 CMLD1_000092 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCCNc7ncc(cc7Cl)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E09 compound treatment -2.528 -2.01 -1.77 -2.54 -2.01 -1.91 -1.836 -1.367565830721 -1.35078043469126 -2.9074 -0.99 1965130 CMLD1_000093 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(=O)OC)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E10 compound treatment -1.886 -1.36 -1.21 -2.294 -1.76 -1.68 -1.768 -1.299565830721 -1.28361506137203 -2.4056 -0.9891 1965131 CMLD1_000094 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC(F)(F)F)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E11 compound treatment -2.44 -1.92 -1.7 -2.686 -2.15 -2.05 -2.269 -1.800565830721 -1.77846582656227 -3.1897 -0.9966 1965060 CMLD1_000095 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E12 compound treatment -1.475 -0.953 -0.84 -1.36 -0.827 -0.79 -1.308 -0.839565830721003 -0.829261065388968 -1.4198 -0.9996 1965132 CMLD1_000096 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccccn6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E13 compound treatment -2.773 -2.25 -1.99 -2.075 -1.54 -1.47 -1.985 -1.516565830721 -1.49795162034665 -2.8617 -0.9897 1965133 CMLD1_000097 CCCCC=C[C@@H](NC(=O)OCc1ccccc1Cl)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E14 compound treatment -1.861 -1.34 -1.18 -1.557 -1.02 -0.98 -0.857 -0.388565830721003 -0.383796604109924 -1.468 -0.9286 1965134 CMLD1_000098 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E15 compound treatment -1.649 -1.13 -1.0 -1.412 -0.879 -0.84 -0.889 -0.420565830721003 -0.415403838613093 -1.2983 -0.9505 1965135 CMLD1_000099 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(cc3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E16 compound treatment -1.92 -1.4 -1.24 -2.014 -1.48 -1.41 -1.283 -0.814565830721003 -0.804567913433367 -1.9924 -0.9763 1965136 CMLD1_000100 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cccc7ccccc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E17 compound treatment -2.568 -2.05 -1.81 -1.718 -1.18 -1.13 -2.029 -1.560565830721 -1.5414115677885 -2.5858 -0.9829 1965137 CMLD1_000101 CC(=CC1CCCCC1)[C@@H](NC(=O)c2cccnc2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E18 compound treatment -3.043 -2.52 -2.23 -1.944 -1.41 -1.34 -2.333 -1.864565830721 -1.84168029556861 -3.1259 -0.9805 1965138 CMLD1_000102 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC(F)(F)F)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E19 compound treatment -2.135 -1.61 -1.43 -2.308 -1.77 -1.69 -1.979 -1.510565830721 -1.4920252638773 -2.6608 -0.9973 1965139 CMLD1_000103 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3ccc(cc3)c4ccccc4)c5ccc(Cl)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E20 compound treatment -1.7 -1.18 -1.04 -1.481 -0.948 -0.9 -1.36 -0.891565830721003 -0.880622821456618 -1.6309 -0.9972 1965140 CMLD1_000104 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E21 compound treatment -2.551 -2.03 -1.79 -2.712 -2.18 -2.08 -2.0 -1.531565830721 -1.51276751152001 -3.1073 -0.9919 1965141 CMLD1_000105 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccccc2)c3cccc(Cl)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E22 mock treatment -0.69 -0.168 -0.15 -1.075 -0.542 -0.52 -0.636 -0.167565830721003 -0.16550914082241 -0.4792 -0.8525 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E23 mock treatment -1.182 -0.66 -0.58 -1.5 -0.967 -0.92 -0.905 -0.436565830721003 -0.431207455864678 -1.1175 -0.9531 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 E24 mock treatment -1.017 -0.495 -0.44 -1.054 -0.521 -0.5 -0.433 0.035434169278997 0.0349992530570706 -0.5188 -0.7832 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F01 compound treatment -1.872 -1.35 -1.19 -1.988 -1.45 -1.39 -1.361 -0.892565830721003 -0.881610547534842 -1.9981 -0.9842 1965142 CMLD1_000106 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CCOCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F02 compound treatment -2.36 -1.84 -1.62 -2.291 -1.76 -1.67 -2.368 -1.899565830721 -1.87625070830645 -2.9881 -0.998 1965143 CMLD1_000107 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F03 compound treatment -1.973 -1.45 -1.28 -2.108 -1.57 -1.5 -2.158 -1.689565830721 -1.66882823187941 -2.5702 -0.9944 1965144 CMLD1_000108 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC)c(OC)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F04 compound treatment -2.149 -1.63 -1.44 -1.934 -1.4 -1.33 -1.963 -1.494565830721 -1.47622164662572 -2.4531 -0.9991 1965145 CMLD1_000109 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5cccc(OC)c5)CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F05 compound treatment -2.397 -1.87 -1.66 -2.339 -1.81 -1.72 -2.225 -1.756565830721 -1.73500587912042 -2.9518 -0.9998 1965146 CMLD1_000110 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F06 compound treatment -2.534 -2.01 -1.78 -2.54 -2.01 -1.91 -2.143 -1.674565830721 -1.65401234070604 -3.0856 -0.9983 1965147 CMLD1_000111 CC1N(CC(O)(CC21CC2)c3ccccc3)P(=O)(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F07 compound treatment -2.0 -1.48 -1.31 -1.859 -1.33 -1.26 -2.2 -1.731565830721 -1.71031272716482 -2.4709 -0.9902 1965148 CMLD1_000112 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F08 compound treatment -2.113 -1.59 -1.41 -1.833 -1.3 -1.24 -1.621 -1.152565830721 -1.13841932787309 -2.1841 -0.9962 1965149 CMLD1_000113 CCCCCC1=C2CNC(C)(C=C2C(C)C1=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F09 compound treatment -1.873 -1.35 -1.19 -1.791 -1.26 -1.2 -2.049 -1.580565830721 -1.56116608935298 -2.2826 -0.9916 1965150 CMLD1_000114 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F10 compound treatment -2.358 -1.84 -1.62 -2.24 -1.71 -1.63 -2.681 -2.212565830721 -2.18540897079058 -3.1375 -0.9895 1965151 CMLD1_000115 CCCCCC1=C2CNC(Cc3ccccc3)(C=C2C(C)C1=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F11 compound treatment -1.5 -0.978 -0.86 -1.561 -1.03 -0.98 -1.861 -1.392565830721 -1.37547358664686 -1.8585 -0.9798 1965152 CMLD1_000116 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F12 compound treatment -1.835 -1.31 -1.16 -2.1 -1.57 -1.49 -2.209 -1.740565830721 -1.71920226186883 -2.5244 -0.9878 1965153 CMLD1_000117 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F13 compound treatment -1.882 -1.36 -1.2 -2.102 -1.57 -1.49 0.043 0.511434169278997 0.505156866291716 -1.2653 -0.6379 1965154 CMLD1_000118 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(Cl)c(c6)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F14 compound treatment -2.852 -2.33 -2.06 -3.2 -2.67 -2.54 -2.924 -2.455565830721 -2.42542640779902 -4.0563 -0.9962 1965155 CMLD1_000119 C[C@@H]1C(COC(=O)C)C(COC(=O)C)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F15 compound treatment -2.0 -1.48 -1.31 -1.808 -1.27 -1.21 -1.814 -1.345565830721 -1.32905046097033 -2.2228 -0.9993 1965156 CMLD1_000120 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(O)c(OC)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F16 compound treatment -2.03 -1.51 -1.33 -1.829 -1.3 -1.23 -1.831 -1.362565830721 -1.34584180430014 -2.2593 -0.9993 1965157 CMLD1_000121 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccc(cc5)C(F)(F)F)C=C21)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F17 compound treatment -2.235 -1.71 -1.51 -2.143 -1.61 -1.53 -1.949 -1.480565830721 -1.46239348153058 -2.604 -0.9998 1965158 CMLD1_000122 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F18 compound treatment -2.443 -1.92 -1.7 -2.377 -1.84 -1.76 -2.078 -1.609565830721 -1.58981014562148 -2.9124 -0.9992 1965150 CMLD1_000123 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F19 compound treatment -2.389 -1.87 -1.65 -1.889 -1.36 -1.29 -2.19 -1.721565830721 -1.70043546638257 -2.6803 -0.9932 1965159 CMLD1_000124 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F20 compound treatment -1.426 -0.904 -0.8 -1.267 -0.734 -0.7 -1.093 -0.624565830721003 -0.616899958570798 -1.2211 -0.9945 1965160 CMLD1_000125 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F21 compound treatment -2.339 -1.82 -1.61 -2.147 -1.61 -1.54 -2.276 -1.807565830721 -1.78537990910984 -2.8457 -0.998 1965161 CMLD1_000126 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(O)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F22 mock treatment -1.373 -0.851 -0.75 -1.353 -0.82 -0.78 -1.561 -1.092565830721 -1.07915576317965 -1.5082 -0.9859 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F23 mock treatment -0.907 -0.385 -0.34 -0.636 -0.103 -0.1 -0.667 -0.198565830721003 -0.196128649247356 -0.3661 -0.905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 F24 mock treatment -0.933 -0.411 -0.36 -1.077 -0.544 -0.52 -0.968 -0.499565830721003 -0.493434198792793 -0.7936 -0.9891 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G01 compound treatment -1.146 -0.624 -0.55 -1.096 -0.563 -0.54 -1.231 -0.762565830721003 -0.753206157365717 -1.0628 -0.9873 1965162 CMLD1_000127 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G02 compound treatment -1.624 -1.1 -0.97 -1.78 -1.25 -1.19 -1.807 -1.338565830721 -1.32213637842277 -2.0114 -0.9925 1965163 CMLD1_000128 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCCNc7ncc(cc7Cl)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G03 compound treatment -2.487 -1.96 -1.74 -2.123 -1.59 -1.51 -2.247 -1.778565830721 -1.75673585284135 -2.8915 -0.9978 1965164 CMLD1_000129 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccccc1)c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G04 compound treatment -1.63 -1.11 -0.98 -1.733 -1.2 -1.14 -2.386 -1.917565830721 -1.89402977771449 -2.3188 -0.9585 1965165 CMLD1_000130 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3C(=C)C(=O)C=C3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G05 compound treatment -1.558 -1.04 -0.92 -1.448 -0.915 -0.87 -0.862 -0.393565830721003 -0.388735234501044 -1.2563 -0.9499 1965166 CMLD1_000131 CCCC=C(CCC)[C@@H](NS(=O)(=O)CC)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G06 compound treatment -2.463 -1.94 -1.72 -2.537 -2.0 -1.91 -2.116 -1.647565830721 -1.627343736594 -3.0323 -0.9977 1965167 CMLD1_000132 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C[C@H]3CN1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G07 compound treatment -0.756 -0.234 -0.21 -0.39 0.143 0.14 -0.66 -0.191565830721003 -0.189214566699787 -0.1498 -0.4809 1965168 CMLD1_000133 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G08 compound treatment -1.291 -0.769 -0.68 -2.317 -1.78 -1.7 -1.802 -1.333565830721 -1.31719774803165 -2.134 -0.9463 1965169 CMLD1_000134 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccccc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G09 compound treatment -1.93 -1.41 -1.24 -2.048 -1.51 -1.44 -1.568 -1.099565830721 -1.08606984572722 -2.1788 -0.9933 1965170 CMLD1_000135 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccccc3C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G10 compound treatment -1.758 -1.24 -1.09 -2.081 -1.55 -1.47 -1.938 -1.469565830721 -1.45152849467012 -2.3201 -0.9916 1965171 CMLD1_000136 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)c(F)c(F)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G11 compound treatment -2.162 -1.64 -1.45 -2.5 -1.97 -1.87 -1.816 -1.347565830721 -1.33102591312678 -2.6872 -0.9889 1965172 CMLD1_000137 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G12 compound treatment -1.407 -0.885 -0.78 -2.527 -1.99 -1.9 -1.858 -1.389565830721 -1.37251040841219 -2.3406 -0.9474 1965173 CMLD1_000138 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(Cl)c(c6)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G13 compound treatment -1.494 -0.972 -0.86 -1.203 -0.67 -0.64 -2.782 -2.313565830721 -2.28516930469121 -2.1837 -0.8654 1965174 CMLD1_000139 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G14 compound treatment -1.618 -1.1 -0.97 -1.358 -0.825 -0.79 -1.309 -0.840565830721003 -0.830248791467192 -1.4923 -0.9959 1965175 CMLD1_000140 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G15 compound treatment -3.134 -2.61 -2.31 -2.603 -2.07 -1.97 -2.581 -2.112565830721 -2.08663636296818 -3.6763 -0.9978 1965176 CMLD1_000141 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G16 compound treatment -1.831 -1.31 -1.16 -1.703 -1.17 -1.11 -2.232 -1.763565830721 -1.74191996166798 -2.3171 -0.9779 1965177 CMLD1_000142 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(nc7)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G17 compound treatment -1.516 -0.994 -0.88 -1.333 -0.8 -0.76 -1.0 -0.531565830721003 -0.525041433295962 -1.2503 -0.9799 1965178 CMLD1_000143 CC(=CC1CCCCC1)[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G18 compound treatment -2.759 -2.24 -1.98 -2.638 -2.1 -2.01 -1.964 -1.495565830721 -1.47720937270394 -3.1522 -0.9912 1965179 CMLD1_000144 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC(F)(F)F)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G19 compound treatment -1.125 -0.603 -0.53 -1.388 -0.855 -0.81 -0.607 -0.138565830721003 -0.136865084553913 -0.8568 -0.8718 1965180 CMLD1_000145 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccccc3C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G20 compound treatment -0.745 -0.223 -0.2 -2.317 -1.78 -1.7 -1.591 -1.122565830721 -1.10878754552637 -1.735 -0.851 1965181 CMLD1_000146 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(OC)c(Br)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G21 compound treatment -2.098 -1.58 -1.39 -2.108 -1.57 -1.5 -1.569 -1.100565830721 -1.08705757180544 -2.2981 -0.9914 1965182 CMLD1_000147 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C[C@H]3CN1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G22 mock treatment -0.67 -0.148 -0.13 -0.878 -0.345 -0.33 -0.75 -0.281565830721003 -0.278109913739951 -0.4256 -0.9461 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G23 mock treatment -1.215 -0.693 -0.61 -1.517 -0.984 -0.94 -0.798 -0.329565830721003 -0.325520765494706 -1.0826 -0.9285 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 G24 mock treatment -1.034 -0.512 -0.45 -1.386 -0.853 -0.81 -1.225 -0.756565830721003 -0.747279800896372 -1.1617 -0.9738 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H01 compound treatment -1.065 -0.543 -0.48 -1.632 -1.1 -1.05 -1.22 -0.751565830721003 -0.742341170505252 -1.31 -0.9561 1965183 CMLD1_000148 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H02 compound treatment -2.085 -1.56 -1.38 -2.171 -1.64 -1.56 -2.475 -2.006565830721 -1.98193739867643 -2.8428 -0.9884 1965184 CMLD1_000149 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(nc7)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H03 compound treatment -1.898 -1.38 -1.22 -1.692 -1.16 -1.1 -1.788 -1.319565830721 -1.30336958293651 -2.0921 -0.9977 1965185 CMLD1_000150 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H04 compound treatment -1.949 -1.43 -1.26 -2.476 -1.94 -1.85 -1.627 -1.158565830721 -1.14434568434244 -2.4575 -0.9771 1965186 CMLD1_000151 CCCC[C@H]1C[C@@H]1[C@@H]2N(C[C@](O)(CC32CC3)c4ccccc4)P(=O)(c5ccccc5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H05 compound treatment -1.549 -1.03 -0.91 -2.382 -1.85 -1.76 -1.791 -1.322565830721 -1.30633276117118 -2.2952 -0.9671 1965187 CMLD1_000152 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7nc8ccccc8[nH]7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H06 compound treatment -1.615 -1.09 -0.97 -1.641 -1.11 -1.06 -1.862 -1.393565830721 -1.37646131272509 -1.9618 -0.9881 1965147 CMLD1_000153 CC1N(CC(O)(CC21CC2)c3ccccc3)P(=O)(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H07 compound treatment -0.31 0.212 0.19 -0.667 -0.134 -0.13 -1.208 -0.739565830721003 -0.730488457566563 -0.387 -0.5059 1965188 CMLD1_000154 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H08 compound treatment -0.607 -0.0846 -0.07 -1.484 -0.951 -0.91 -1.362 -0.893565830721003 -0.882598273613066 -1.0758 -0.8491 1965189 CMLD1_000155 CCCC1(NCC2=C(C)C(=O)C(C)C2=C1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H09 compound treatment -0.821 -0.299 -0.26 -1.535 -1.0 -0.95 -1.389 -0.920565830721003 -0.909266877725116 -1.2284 -0.9137 1965190 CMLD1_000156 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H10 compound treatment -0.885 -0.363 -0.32 -1.772 -1.24 -1.18 -1.306 -0.837565830721003 -0.82728561323252 -1.3441 -0.9103 1965191 CMLD1_000157 COC(=O)C1(CC(C)C)NCC2=C(C)C(=O)C(C)C2=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H11 compound treatment -0.862 -0.34 -0.3 -1.536 -1.0 -0.96 -1.443 -0.974565830721003 -0.962604085949214 -1.2807 -0.922 1965192 CMLD1_000158 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H12 compound treatment -1.072 -0.55 -0.49 -2.411 -1.88 -1.79 -1.573 -1.104565830721 -1.09100847611834 -1.9433 -0.9034 1965193 CMLD1_000159 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H13 compound treatment -1.135 -0.613 -0.54 -2.018 -1.48 -1.41 1.56 2.028434169279 1.58226239074286 -0.2159 -0.0986 1965194 CMLD1_000160 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H14 compound treatment -1.765 -1.24 -1.1 -2.51 -1.98 -1.88 -1.622 -1.153565830721 -1.13940705395132 -2.3794 -0.9672 1965195 CMLD1_000161 C[C@@H]1C2COC(=O)OCC2C3CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@]6(C)[C@H]4C3=C1CN6C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H15 compound treatment -1.258 -0.736 -0.65 -1.699 -1.17 -1.11 -0.308 0.160434169278997 0.158465012835076 -0.9253 -0.7135 1965196 CMLD1_000162 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H16 compound treatment -1.587 -1.06 -0.94 -2.333 -1.8 -1.71 -1.307 -0.838565830721003 -0.828273339310744 -2.0116 -0.947 1965197 CMLD1_000163 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccc(cc6)C(F)(F)F)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H17 compound treatment -1.638 -1.12 -0.99 -2.696 -2.16 -2.06 -1.632 -1.163565830721 -1.14928431473356 -2.4226 -0.9474 1965198 CMLD1_000164 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H18 compound treatment -1.344 -0.822 -0.73 -1.555 -1.02 -0.97 -0.791 -0.322565830721003 -0.318606682947137 -1.1654 -0.928 1965199 CMLD1_000165 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CC7CC7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H19 compound treatment -1.317 -0.795 -0.7 -1.489 -0.956 -0.91 -1.1 -0.631565830721003 -0.623814041118367 -1.2915 -0.9871 1965200 CMLD1_000166 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H20 compound treatment -0.863 -0.341 -0.3 -1.323 -0.79 -0.75 -0.458 0.010434169278997 0.0103061011014695 -0.6024 -0.7431 1965201 CMLD1_000167 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H21 compound treatment -0.426 0.0964 0.09 -0.737 -0.204 -0.19 -0.608 -0.139565830721003 -0.137852810632137 -0.1425 -0.5633 1965202 CMLD1_000168 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H22 mock treatment -0.333 0.189 0.17 -0.966 -0.433 -0.41 -0.662 -0.193565830721003 -0.191190018856236 -0.2518 -0.5198 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H23 mock treatment -0.412 0.11 0.1 -0.623 -0.09 -0.09 -0.524 -0.055565830721003 -0.0548838200613174 -0.0248 -0.1758 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 H24 mock treatment -0.458 0.0644 0.06 -0.379 0.154 0.15 -0.833 -0.364565830721003 -0.360091178232547 -0.0903 -0.2297 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I01 compound treatment -1.184 -0.662 -0.58 -1.155 -0.622 -0.59 -1.085 -0.616565830721003 -0.608998149945006 -1.0314 -0.9999 1965203 CMLD1_000169 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I02 compound treatment -2.528 -2.01 -1.77 -2.205 -1.67 -1.59 -1.797 -1.328565830721 -1.31225911764053 -2.7009 -0.9927 1965204 CMLD1_000170 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6nc7ccccc7[nH]6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I03 compound treatment -2.277 -1.75 -1.55 -2.532 -2.0 -1.9 -1.543 -1.074565830721 -1.06137669377162 -2.6078 -0.9746 1965205 CMLD1_000171 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I04 compound treatment -2.177 -1.65 -1.46 -2.014 -1.48 -1.41 -1.524 -1.055565830721 -1.04260989828536 -2.261 -0.9899 1965206 CMLD1_000172 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(OC(F)(F)F)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I05 compound treatment -2.907 -2.38 -2.11 -1.944 -1.41 -1.34 -2.484 -2.015565830721 -1.99082693338044 -3.1426 -0.9833 1965207 CMLD1_000173 CCCC=C(CCC)[C@@H](NC(=O)c1ccco1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I06 compound treatment -2.937 -2.41 -2.13 -2.012 -1.48 -1.41 -2.222 -1.753565830721 -1.73204270088574 -3.0459 -0.986 1965208 CMLD1_000174 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I07 compound treatment -2.643 -2.12 -1.87 -2.4 -1.87 -1.78 -2.326 -1.857565830721 -1.83476621302104 -3.1686 -0.9998 1965209 CMLD1_000175 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I08 compound treatment -2.104 -1.58 -1.4 -1.769 -1.24 -1.18 -1.654 -1.185565830721 -1.17101428845449 -2.1632 -0.9964 1965210 CMLD1_000176 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I09 compound treatment -1.83 -1.31 -1.16 -1.842 -1.31 -1.25 -1.362 -0.893565830721003 -0.882598273613066 -1.8969 -0.9902 1965211 CMLD1_000177 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I10 compound treatment -1.654 -1.13 -1.0 -2.0 -1.47 -1.4 -1.636 -1.167565830721 -1.15323521904645 -2.0502 -0.9906 1965212 CMLD1_000178 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(Cl)c(c6)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I11 compound treatment -2.237 -1.71 -1.52 -2.804 -2.27 -2.16 -2.213 -1.744565830721 -1.72315316618173 -3.1191 -0.9889 1965213 CMLD1_000179 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I12 compound treatment -1.61 -1.09 -0.96 -1.662 -1.13 -1.08 -1.529 -1.060565830721 -1.04754852867648 -1.7809 -0.9989 1965214 CMLD1_000180 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I13 compound treatment -2.413 -1.89 -1.67 -2.864 -2.33 -2.22 -2.544 -2.075565830721 -2.05009049807389 -3.4307 -0.9934 1965215 CMLD1_000181 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I14 compound treatment -1.917 -1.39 -1.23 -1.739 -1.21 -1.15 -1.486 -1.017565830721 -1.00507630731285 -1.9554 -0.9965 1965216 CMLD1_000182 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C[C@H]3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I15 compound treatment -2.479 -1.96 -1.73 -2.13 -1.6 -1.52 -1.571 -1.102565830721 -1.08903302396189 -2.5058 -0.9834 1965217 CMLD1_000183 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I16 compound treatment -2.147 -1.62 -1.44 -2.113 -1.58 -1.51 -1.761 -1.292565830721 -1.27670097882446 -2.4353 -0.9977 1965218 CMLD1_000184 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I17 compound treatment -1.477 -0.955 -0.84 -3.0 -2.47 -2.35 -3.148 -2.679565830721 -2.64667704932121 -3.3722 -0.9267 1965219 CMLD1_000185 COC(=O)c1ccc(cc1)[C@H](NC(=O)c2ccccc2)[C@]3(C)C[C@H]3C4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I18 compound treatment -2.928 -2.41 -2.13 -1.855 -1.32 -1.26 -2.381 -1.912565830721 -1.88909114732337 -3.0456 -0.979 1965220 CMLD1_000186 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC(F)(F)F)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I19 compound treatment -2.493 -1.97 -1.74 -2.343 -1.81 -1.72 -2.136 -1.667565830721 -1.64709825815848 -2.9523 -0.9997 1965221 CMLD1_000187 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccccc3C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I20 compound treatment -1.941 -1.42 -1.25 -1.898 -1.36 -1.3 -1.679 -1.210565830721 -1.19570744041009 -2.1652 -0.9994 1965222 CMLD1_000188 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I21 compound treatment -2.419 -1.9 -1.68 -2.966 -2.43 -2.32 -2.074 -1.605565830721 -1.58585924130859 -3.2218 -0.985 1965223 CMLD1_000189 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CC6CC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I22 mock treatment -0.698 -0.176 -0.16 -0.816 -0.283 -0.27 -0.542 -0.073565830721003 -0.0726628894693502 -0.2872 -0.8991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I23 mock treatment -1.288 -0.766 -0.68 -1.875 -1.34 -1.28 -1.593 -1.124565830721 -1.11076299768282 -1.7702 -0.9706 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 I24 mock treatment -0.983 -0.461 -0.41 -0.947 -0.414 -0.39 -1.08 -0.611565830721003 -0.604059519553886 -0.8115 -0.9797 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J01 compound treatment -1.818 -1.3 -1.15 -1.598 -1.06 -1.01 -1.4 -0.931565830721003 -0.92013186458558 -1.7783 -0.996 1965224 CMLD1_000190 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J02 compound treatment -2.886 -2.36 -2.09 -2.838 -2.3 -2.2 -2.326 -1.857565830721 -1.83476621302104 -3.5335 -0.9973 1965225 CMLD1_000191 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J03 compound treatment -2.281 -1.76 -1.55 -2.06 -1.53 -1.45 -2.433 -1.964565830721 -1.94045290339102 -2.8578 -0.992 1965226 CMLD1_000192 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(nc7)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J04 compound treatment -2.138 -1.62 -1.43 -1.815 -1.28 -1.22 -2.086 -1.617565830721 -1.59771195424727 -2.4522 -0.9941 1965227 CMLD1_000193 CCCC[C@H]1C[C@@H]1[C@@H]2N([C@@](CO)(CC32CC3)c4ccccc4)P(=O)(c5ccccc5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J05 compound treatment -2.508 -1.99 -1.76 -2.077 -1.54 -1.47 -2.026 -1.557565830721 -1.53844838955383 -2.7509 -0.9971 1965228 CMLD1_000194 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccsc7Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J06 compound treatment -2.558 -2.04 -1.8 -2.145 -1.61 -1.54 -2.043 -1.574565830721 -1.55523973288364 -2.8235 -0.9973 1965229 CMLD1_000195 OC1(CN(CC2(CC2)C1)P(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J07 compound treatment -1.79 -1.27 -1.12 -1.869 -1.34 -1.27 -1.052 -0.583565830721003 -0.576403189363613 -1.7146 -0.9573 1965230 CMLD1_000196 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J08 compound treatment -1.839 -1.32 -1.16 -1.635 -1.1 -1.05 -1.768 -1.299565830721 -1.28361506137203 -2.0192 -0.9967 1965231 CMLD1_000197 CCCC1(NCC2=C(C(C)C)C(=O)C(C)C2=C1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J09 compound treatment -2.262 -1.74 -1.54 -2.1 -1.57 -1.49 -2.271 -1.802565830721 -1.78044127871872 -2.7777 -0.9969 1965232 CMLD1_000198 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J10 compound treatment -2.236 -1.71 -1.51 -2.053 -1.52 -1.45 -2.134 -1.665565830721 -1.64512280600203 -2.6605 -0.9986 1965233 CMLD1_000199 COC(=O)C1(CC(C)C)NCC2=C(C(C)C)C(=O)C(C)C2=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J11 compound treatment -1.656 -1.13 -1.0 -1.881 -1.35 -1.28 -2.118 -1.649565830721 -1.62931918875044 -2.2607 -0.9812 1965234 CMLD1_000200 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J12 compound treatment -1.79 -1.27 -1.12 -1.968 -1.43 -1.37 -2.085 -1.616565830721 -1.59672422816905 -2.3581 -0.99 1965235 CMLD1_000201 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5cccc(Cl)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J13 compound treatment -1.729 -1.21 -1.07 -1.667 -1.13 -1.08 -1.478 -1.009565830721 -0.997174498687055 -1.8153 -0.9994 1965236 CMLD1_000202 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J14 compound treatment -2.974 -2.45 -2.17 -3.013 -2.48 -2.36 -2.874 -2.405565830721 -2.37604010388782 -3.9872 -0.9991 1965237 CMLD1_000203 CC[C@@H]1C(COC(=O)C)C(COC(=O)C)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J15 compound treatment -2.165 -1.64 -1.45 -1.892 -1.36 -1.29 -2.031 -1.562565830721 -1.54338701994495 -2.4769 -0.9974 1965238 CMLD1_000204 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J16 compound treatment -2.265 -1.74 -1.54 -2.089 -1.56 -1.48 -2.37 -1.901565830721 -1.8782261604629 -2.8297 -0.9943 1965239 CMLD1_000205 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J17 compound treatment -2.23 -1.71 -1.51 -1.879 -1.35 -1.28 -2.158 -1.689565830721 -1.66882823187941 -2.5754 -0.9944 1965240 CMLD1_000206 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J18 compound treatment -2.745 -2.22 -1.96 -2.557 -2.02 -1.93 -2.347 -1.878565830721 -1.85550846066375 -3.3189 -0.9997 1965241 CMLD1_000207 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCn6cc(nc6C)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J19 compound treatment -1.984 -1.46 -1.29 -1.984 -1.45 -1.38 -0.825 -0.356565830721003 -0.352189369606755 -1.7474 -0.9079 1965242 CMLD1_000208 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J20 compound treatment -1.549 -1.03 -0.91 -1.525 -0.992 -0.94 -1.085 -0.616565830721003 -0.608998149945006 -1.4212 -0.9836 1965243 CMLD1_000209 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J21 compound treatment -1.041 -0.519 -0.46 -1.427 -0.894 -0.85 -1.085 -0.616565830721003 -0.608998149945006 -1.108 -0.9694 1965244 CMLD1_000210 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J22 mock treatment -1.392 -0.87 -0.77 -0.221 0.312 0.3 -1.295 -0.826565830721003 -0.816420626372055 -0.7436 -0.6409 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J23 mock treatment -0.656 -0.134 -0.12 -1.127 -0.594 -0.57 -0.731 -0.262565830721003 -0.259343118253694 -0.5446 -0.8596 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 J24 mock treatment -1.169 -0.647 -0.57 -1.609 -1.08 -1.03 -1.622 -1.153565830721 -1.13940705395132 -1.5796 -0.9657 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K01 compound treatment -0.772 -0.25 -0.22 -0.515 0.018 0.02 -1.167 -0.698565830721003 -0.689991688359378 -0.5158 -0.7119 1965245 CMLD1_000211 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K02 compound treatment -1.99 -1.47 -1.3 -2.038 -1.5 -1.43 -2.13 -1.661565830721 -1.64117190168913 -2.5244 -0.9953 1965246 CMLD1_000212 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8cc(F)ccc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K03 compound treatment -2.548 -2.03 -1.79 -1.783 -1.25 -1.19 -2.312 -1.843565830721 -1.82093804792591 -2.7727 -0.984 1965247 CMLD1_000213 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K04 compound treatment -2.108 -1.59 -1.4 -1.829 -1.3 -1.23 -2.196 -1.727565830721 -1.70636182285192 -2.5073 -0.991 1965248 CMLD1_000214 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)c(F)c(F)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K05 compound treatment -1.594 -1.07 -0.95 -1.605 -1.07 -1.02 -1.161 -0.692565830721003 -0.684065331890033 -1.5315 -0.9869 1965249 CMLD1_000215 CCCC=C(CCC)[C@@H](NC(=O)C(C)(C)C)c1ccc(cc1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K06 compound treatment -2.34 -1.82 -1.61 -2.167 -1.63 -1.56 -1.979 -1.510565830721 -1.4920252638773 -2.6879 -0.9995 1965250 CMLD1_000216 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)c(F)c(F)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K07 compound treatment -0.784 -0.262 -0.23 -0.776 -0.243 -0.23 -0.599 -0.130565830721003 -0.128963275928121 -0.3416 -0.9713 1965251 CMLD1_000217 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)C(=O)OC)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K08 compound treatment -1.331 -0.809 -0.71 -2.353 -1.82 -1.73 -1.719 -1.250565830721 -1.23521648353905 -2.1269 -0.9471 1965252 CMLD1_000218 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6c[nH]c7ccc(O)cc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K09 compound treatment -2.25 -1.73 -1.53 -2.344 -1.81 -1.73 -1.591 -1.122565830721 -1.10878754552637 -2.518 -0.9847 1965253 CMLD1_000219 CCCC=C(CCC)[C@@H](NC(=O)Cc1ccccc1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K10 compound treatment -2.011 -1.49 -1.32 -2.357 -1.82 -1.74 -1.831 -1.362565830721 -1.34584180430014 -2.54 -0.9915 1965254 CMLD1_000220 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(Cl)c(c7)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K11 compound treatment -2.011 -1.49 -1.32 -1.656 -1.12 -1.07 -1.911 -1.442565830721 -1.42485989055807 -2.2001 -0.9932 1965255 CMLD1_000221 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K12 compound treatment -1.677 -1.15 -1.02 -1.956 -1.42 -1.36 -1.958 -1.489565830721 -1.4712830162346 -2.2214 -0.9891 1965256 CMLD1_000222 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(OC)cc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K13 compound treatment -2.083 -1.56 -1.38 -1.777 -1.24 -1.19 -3.15 -2.681565830721 -2.64865250147766 -3.01 -0.9368 1965257 CMLD1_000223 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K14 compound treatment -2.14 -1.62 -1.43 -1.832 -1.3 -1.24 -1.766 -1.297565830721 -1.28163960921558 -2.2801 -0.998 1965258 CMLD1_000224 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K15 compound treatment -3.175 -2.65 -2.35 -2.253 -1.72 -1.64 -3.164 -2.695565830721 -2.66248066657279 -3.8371 -0.9818 1965259 CMLD1_000225 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccnc2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K16 compound treatment -1.957 -1.43 -1.27 -1.844 -1.31 -1.25 -2.291 -1.822565830721 -1.8001958002832 -2.4926 -0.9846 1965260 CMLD1_000226 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K17 compound treatment -1.935 -1.41 -1.25 -1.922 -1.39 -1.32 -1.779 -1.310565830721 -1.29448004823249 -2.2323 -0.9997 1965261 CMLD1_000227 COC(=O)c1ccc(cc1)[C@H](NC(=O)c2ccco2)[C@]3(C)C[C@H]3C4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K18 compound treatment -2.571 -2.05 -1.81 -2.434 -1.9 -1.81 -2.253 -1.784565830721 -1.76266220931069 -3.1089 -0.9999 1965262 CMLD1_000228 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K19 compound treatment -0.75 -0.228 -0.2 -1.065 -0.532 -0.51 -0.081 0.387434169278997 0.382678832591934 -0.1878 -0.2819 1965263 CMLD1_000229 CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K20 compound treatment -0.67 -0.148 -0.13 -2.242 -1.71 -1.63 -1.484 -1.015565830721 -1.0031008551564 -1.5944 -0.8318 1965264 CMLD1_000230 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)c(F)c7F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K21 compound treatment -2.447 -1.92 -1.7 -2.708 -2.17 -2.07 -1.835 -1.366565830721 -1.34979270861304 -2.9579 -0.9854 1965265 CMLD1_000231 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)o6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K22 mock treatment -0.978 -0.456 -0.4 -1.153 -0.62 -0.59 -0.92 -0.451565830721003 -0.446023347038039 -0.831 -0.9863 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K23 mock treatment -1.317 -0.795 -0.7 -1.356 -0.823 -0.78 -1.354 -0.885565830721003 -0.874696464987274 -1.3632 -0.996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 K24 mock treatment -0.83 -0.308 -0.27 -1.452 -0.919 -0.88 -1.266 -0.797565830721003 -0.787776570103558 -1.1172 -0.9243 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L01 compound treatment -1.821 -1.3 -1.15 -2.319 -1.79 -1.7 -1.747 -1.278565830721 -1.26287281372932 -2.3742 -0.9852 1965266 CMLD1_000232 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L02 compound treatment -2.491 -1.97 -1.74 -2.851 -2.32 -2.21 -1.439 -0.970565830721003 -0.958653181636318 -2.8332 -0.9538 1965267 CMLD1_000233 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L03 compound treatment -1.464 -0.942 -0.83 -1.84 -1.31 -1.25 -1.092 -0.623565830721003 -0.615912232492574 -1.555 -0.9603 1965268 CMLD1_000234 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L04 compound treatment -1.603 -1.08 -0.96 -2.516 -1.98 -1.89 -0.594 -0.125565830721003 -0.124024645537 -1.7138 -0.8082 1965269 CMLD1_000235 CCCC[C@H]1C[C@@H]1[C@@H]2N([C@@H](CC32CC3)c4cccc(OC)c4)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L05 compound treatment -1.342 -0.82 -0.72 -2.677 -2.14 -2.04 -0.706 -0.237565830721003 -0.234649966298093 -1.733 -0.795 1965270 CMLD1_000236 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7cc8ccccc8[nH]7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L06 compound treatment -1.326 -0.804 -0.71 -1.982 -1.45 -1.38 -0.935 -0.466565830721003 -0.4608392382114 -1.4732 -0.9097 1965271 CMLD1_000237 C=C(CC1(CNP(=O)(c2ccccc2)c3ccccc3)CC1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L07 compound treatment -1.166 -0.644 -0.57 -1.698 -1.16 -1.11 -1.162 -0.693565830721003 -0.685053057968257 -1.3647 -0.9591 1965272 CMLD1_000238 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L08 compound treatment -1.437 -0.915 -0.81 -1.563 -1.03 -0.98 -1.083 -0.614565830721003 -0.607022697788558 -1.3838 -0.9822 1965273 CMLD1_000239 CCCC1(NCC2=C(C(=O)C(C)C2=C1)c3ccccc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L09 compound treatment -1.133 -0.611 -0.54 -1.937 -1.4 -1.34 -0.404 0.064434169278997 0.0636433093255679 -1.0471 -0.7253 1965274 CMLD1_000240 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(O)c(OC)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L10 compound treatment -1.367 -0.845 -0.75 -2.033 -1.5 -1.43 -0.904 -0.435565830721003 -0.430219729786454 -1.5045 -0.9016 1965275 CMLD1_000241 COC(=O)C1(CC(C)C)NCC2=C(C(=O)C(C)C2=C1)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L11 compound treatment -0.965 -0.443 -0.39 -1.39 -0.857 -0.82 -1.43 -0.961565830721003 -0.949763646932301 -1.2456 -0.9493 1965276 CMLD1_000242 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L12 compound treatment -1.804 -1.28 -1.13 -2.239 -1.71 -1.63 -1.8 -1.331565830721 -1.3152222958752 -2.3518 -0.989 1965277 CMLD1_000243 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5cc(F)cc(F)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L13 compound treatment -1.732 -1.21 -1.07 -2.109 -1.58 -1.5 -1.944 -1.475565830721 -1.45745485113946 -2.3257 -0.9897 1965278 CMLD1_000244 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L14 compound treatment -1.827 -1.3 -1.15 -2.939 -2.41 -2.29 -2.597 -2.128565830721 -2.10243998021976 -3.203 -0.9656 1965279 CMLD1_000245 CC[C@@H]1C2COC(=O)OCC2C3CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@]6(C)[C@H]4C3=C1CN6C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L15 compound treatment -1.431 -0.909 -0.8 -1.747 -1.21 -1.16 -1.511 -1.042565830721 -1.02976945926845 -1.726 -0.9894 1965280 CMLD1_000246 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L16 compound treatment -1.548 -1.03 -0.91 -2.526 -1.99 -1.9 -1.691 -1.222565830721 -1.20756015334878 -2.3168 -0.955 1965281 CMLD1_000247 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccccc6)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L17 compound treatment -2.101 -1.58 -1.4 -2.729 -2.2 -2.09 -1.174 -0.705565830721003 -0.696905770906946 -2.4159 -0.9258 1965282 CMLD1_000248 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSC(=N)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L18 compound treatment -2.085 -1.56 -1.38 -2.605 -2.07 -1.97 -1.126 -0.657565830721003 -0.649494919152192 -2.3122 -0.9266 1965079 CMLD1_000249 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L19 compound treatment -1.033 -0.511 -0.45 -1.974 -1.44 -1.37 -1.274 -0.805565830721003 -0.79567837872935 -1.5125 -0.9169 1965283 CMLD1_000250 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8cc(F)ccc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L20 compound treatment -1.06 -0.538 -0.48 -1.351 -0.818 -0.78 -0.808 -0.339565830721003 -0.335398026276946 -0.9179 -0.944 1965284 CMLD1_000251 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L21 compound treatment -1.394 -0.872 -0.77 -2.131 -1.6 -1.52 -0.921 -0.452565830721003 -0.447011073116263 -1.5818 -0.8969 1965285 CMLD1_000252 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CNCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L22 mock treatment -0.792 -0.27 -0.24 -1.359 -0.826 -0.79 -1.102 -0.633565830721003 -0.625789493274815 -0.9532 -0.9225 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L23 mock treatment -0.511 0.0114 0.01 -0.506 0.027 0.03 -0.588 -0.119565830721003 -0.118098289067656 -0.0475 -0.3913 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 L24 mock treatment -1.595 -1.07 -0.95 -1.243 -0.71 -0.68 -0.89 -0.421565830721003 -0.416391564691318 -1.1784 -0.9527 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M01 compound treatment -1.228 -0.706 -0.62 -0.828 -0.295 -0.28 -1.188 -0.719565830721003 -0.710733936002083 -0.9327 -0.9455 1965286 CMLD1_000253 CCCC=C(CCC)[C@@H](NC(=O)c1cccs1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M02 compound treatment -2.136 -1.61 -1.43 -1.867 -1.33 -1.27 -1.757 -1.288565830721 -1.27275007451156 -2.2921 -0.9985 1965287 CMLD1_000254 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N4CCCC4)C(=O)C=C3CN1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M03 compound treatment -2.232 -1.71 -1.51 -2.679 -2.15 -2.04 -2.161 -1.692565830721 -1.67179141011408 -3.0181 -0.9919 1965288 CMLD1_000255 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c2ccc(cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M04 compound treatment -2.492 -1.97 -1.74 -1.892 -1.36 -1.29 -1.788 -1.319565830721 -1.30336958293651 -2.5053 -0.9898 1965289 CMLD1_000256 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(C)onc7c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M05 compound treatment -1.812 -1.29 -1.14 -3.222 -2.69 -2.56 -3.155 -2.686565830721 -2.65359113186878 -3.6692 -0.9505 1965290 CMLD1_000257 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M06 compound treatment -2.733 -2.21 -1.95 -1.942 -1.41 -1.34 -2.4 -1.931565830721 -1.90785794280962 -3.0048 -0.9874 1965090 CMLD1_000258 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4cccc(Cl)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M07 compound treatment -2.274 -1.75 -1.55 -2.583 -2.05 -1.95 -2.093 -1.624565830721 -1.60462603679484 -2.948 -0.9945 1965291 CMLD1_000259 CCCCC=C[C@@H](NC(=O)c1ccco1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M08 compound treatment -1.676 -1.15 -1.02 -2.623 -2.09 -1.99 -2.5 -2.031565830721 -2.00663055063203 -2.8968 -0.964 1965292 CMLD1_000260 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C=C3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M09 compound treatment -2.455 -1.93 -1.71 -2.639 -2.11 -2.01 -1.889 -1.420565830721 -1.40312991683714 -2.9548 -0.9897 1965293 CMLD1_000261 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)OCc2ccccc2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M10 compound treatment -1.539 -1.02 -0.9 -1.97 -1.44 -1.37 -1.628 -1.159565830721 -1.14533341042066 -1.9705 -0.9861 1965294 CMLD1_000262 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCCNc6ccc(cc6Cl)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M11 compound treatment -3.078 -2.56 -2.26 -3.379 -2.85 -2.71 -3.207 -2.738565830721 -2.70495288793643 -4.4315 -0.9966 1965295 CMLD1_000263 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccnc2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M12 compound treatment -0.991 -0.469 -0.41 -1.92 -1.39 -1.32 -2.038 -1.569565830721 -1.55030110249252 -1.8971 -0.9126 1965296 CMLD1_000264 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(OC)c(Br)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M13 compound treatment -2.072 -1.55 -1.37 -2.071 -1.54 -1.47 -1.889 -1.420565830721 -1.40312991683714 -2.4469 -0.9996 1965297 CMLD1_000265 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M14 compound treatment -2.522 -2.0 -1.77 -1.852 -1.32 -1.26 -2.0 -1.531565830721 -1.51276751152001 -2.6195 -0.9906 1965298 CMLD1_000266 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M15 compound treatment -2.047 -1.52 -1.35 -2.61 -2.08 -1.98 -2.032 -1.563565830721 -1.54437474602318 -2.8122 -0.9871 1965299 CMLD1_000267 CCCC[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c2cccc3cccnc23)c4ccc(cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M16 compound treatment -2.676 -2.15 -1.9 -2.013 -1.48 -1.41 -1.982 -1.513565830721 -1.49498844211197 -2.7764 -0.9911 1965300 CMLD1_000268 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(O)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M17 compound treatment -1.254 -0.732 -0.65 -3.814 -3.28 -3.13 -3.545 -3.076565830721 -3.03880430237615 -3.9324 -0.8923 1965301 CMLD1_000269 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c2cccc3cccnc23)c4ccc(Cl)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M18 compound treatment -2.326 -1.8 -1.59 -2.153 -1.62 -1.54 -2.55 -2.081565830721 -2.05601685454323 -2.9986 -0.9912 1965302 CMLD1_000270 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C[C@H]3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M19 compound treatment -1.854 -1.33 -1.18 -2.333 -1.8 -1.71 -2.146 -1.677565830721 -1.65697551894072 -2.6263 -0.9876 1965303 CMLD1_000271 CCCC=C(CCC)[C@@H](NC(=O)Oc1ccc(F)cc1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M20 compound treatment -1.737 -1.21 -1.07 -2.424 -1.89 -1.8 -2.556 -2.087565830721 -2.06194321101258 -2.8505 -0.9692 1965304 CMLD1_000272 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M21 mock treatment -3.313 -2.79 -2.47 -3.286 -2.75 -2.62 -2.712 -2.243565830721 -2.21602847921553 -4.218 -0.9976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M22 mock treatment -1.097 -0.575 -0.51 -1.058 -0.525 -0.5 -1.167 -0.698565830721003 -0.689991688359378 -0.9804 -0.9882 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M23 mock treatment -1.586 -1.06 -0.94 -1.683 -1.15 -1.1 -1.328 -0.859565830721003 -0.849015586953449 -1.6655 -0.9944 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 M24 mock treatment -0.661 -0.139 -0.12 -0.988 -0.455 -0.43 -1.0 -0.531565830721003 -0.525041433295962 -0.6241 -0.9022 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N01 compound treatment -2.443 -1.92 -1.7 -2.216 -1.68 -1.6 -2.231 -1.762565830721 -1.74093223558976 -2.9111 -0.9994 1965305 CMLD1_000273 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CNCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N02 compound treatment -3.23 -2.71 -2.39 -2.256 -1.72 -1.64 -2.521 -2.052565830721 -2.02737279827473 -3.5002 -0.9886 1965306 CMLD1_000274 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N03 compound treatment -2.122 -1.6 -1.41 -1.589 -1.06 -1.01 -1.72 -1.251565830721 -1.23620420961727 -2.111 -0.9907 1965307 CMLD1_000275 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)o6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N04 compound treatment -2.169 -1.65 -1.46 -2.013 -1.48 -1.41 -2.321 -1.852565830721 -1.82982758262992 -2.7109 -0.9929 1965308 CMLD1_000276 COC(=O)c1ccc(C#CC(NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N05 compound treatment -1.703 -1.18 -1.04 -1.887 -1.35 -1.29 -2.286 -1.817565830721 -1.79525716989208 -2.3838 -0.9751 1965309 CMLD1_000277 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)c(F)c7F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N06 compound treatment -3.14 -2.62 -2.31 -3.033 -2.5 -2.38 -2.691 -2.222565830721 -2.19528623157282 -3.9785 -0.9994 1965310 CMLD1_000278 O=P(NCC1(CC2(CO2)c3ccccc3)CC1)(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N07 compound treatment -1.789 -1.27 -1.12 -1.635 -1.1 -1.05 -0.196 0.272434169278997 0.269090333596169 -1.0972 -0.7041 1965311 CMLD1_000279 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N08 compound treatment -1.929 -1.41 -1.24 -2.017 -1.48 -1.41 -1.54 -1.071565830721 -1.05841351553695 -2.1452 -0.9932 1965312 CMLD1_000280 CCCCCC1=C2CNC(CCC)(C=C2C(C)C1=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N09 compound treatment -2.317 -1.79 -1.59 -2.301 -1.77 -1.68 -2.292 -1.823565830721 -1.80118352636143 -2.9283 -0.9987 1965313 CMLD1_000281 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CCOCC7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N10 compound treatment -1.816 -1.29 -1.14 -0.244 0.289 0.28 -1.73 -1.261565830721 -1.24608147039951 -1.2207 -0.7124 1965314 CMLD1_000282 CCCCCC1=C2CNC(CC(C)C)(C=C2C(C)C1=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N11 compound treatment -1.523 -1.0 -0.88 -1.686 -1.15 -1.1 -1.53 -1.061565830721 -1.04853625475471 -1.7502 -0.9959 1965315 CMLD1_000283 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(C)n(C)n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N12 compound treatment -1.681 -1.16 -1.02 -2.167 -1.63 -1.56 -2.094 -1.625565830721 -1.60561376287307 -2.4171 -0.9827 1965316 CMLD1_000284 COC1OC[C@]2(C)[C@@H]3[C@H]1CCC4C(CO)C(CO)[C@@H](C)C(=C43)CN2C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N13 compound treatment -0.469 0.0534 0.05 -1.918 -1.38 -1.32 -1.864 -1.395565830721 -1.37843676488154 -1.5303 -0.8018 1965317 CMLD1_000285 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N14 compound treatment -3.055 -2.53 -2.24 -2.6 -2.07 -1.97 -2.67 -2.201565830721 -2.17454398393012 -3.685 -0.9985 1965318 CMLD1_000286 CC[C@@H]1C(COC)C(COC)C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]5(C)[C@H]3C2=C1CN5C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N15 compound treatment -2.512 -1.99 -1.76 -1.63 -1.1 -1.05 -2.089 -1.620565830721 -1.60067513248195 -2.543 -0.9789 1965319 CMLD1_000287 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N16 compound treatment -2.22 -1.7 -1.5 -2.194 -1.66 -1.58 -2.564 -2.095565830721 -2.06984501963837 -2.9751 -0.9895 1965320 CMLD1_000288 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccccc5)C=C21)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N17 compound treatment -1.651 -1.13 -1.0 -1.819 -1.29 -1.23 -2.086 -1.617565830721 -1.59771195424727 -2.2058 -0.9817 1965321 CMLD1_000289 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N18 compound treatment -2.371 -1.85 -1.63 -2.542 -2.01 -1.91 -2.309 -1.840565830721 -1.81797486969124 -3.0981 -0.9979 1965322 CMLD1_000290 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N19 compound treatment -1.83 -1.31 -1.16 -1.723 -1.19 -1.13 -1.675 -1.206565830721 -1.19175653609719 -2.01 -0.9998 1965323 CMLD1_000291 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(O)cc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N20 compound treatment -1.795 -1.27 -1.13 -1.824 -1.29 -1.23 -1.507 -1.038565830721 -1.02581855495555 -1.9519 -0.9973 1965324 CMLD1_000292 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N21 mock treatment -1.203 -0.681 -0.6 -1.329 -0.796 -0.76 -1.179 -0.710565830721003 -0.701844401298066 -1.1904 -0.9956 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N22 mock treatment -1.241 -0.719 -0.64 -1.185 -0.652 -0.62 -1.043 -0.574565830721003 -0.567513654659596 -1.053 -0.9989 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N23 mock treatment -0.422 0.1 0.09 -0.557 -0.024 -0.02 -0.292 0.176434169278997 0.174268630086661 0.1387 0.7044 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 N24 mock treatment -0.859 -0.337 -0.3 -0.948 -0.415 -0.4 -0.857 -0.388565830721003 -0.383796604109924 -0.6216 -0.9927 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O01 compound treatment -0.705 -0.183 -0.16 -1.234 -0.701 -0.67 -1.101 -0.632565830721003 -0.624801767196591 -0.8394 -0.904 1965325 CMLD1_000293 CCCC=C(CCC)[C@@H](NC(=O)OCC(C)C)c1ccc(cc1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O02 compound treatment -2.33 -1.81 -1.6 -2.215 -1.68 -1.6 -2.316 -1.847565830721 -1.8248889522388 -2.9013 -0.998 1965326 CMLD1_000294 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O03 compound treatment -2.5 -1.98 -1.75 -2.059 -1.53 -1.45 -2.438 -1.969565830721 -1.94539153378214 -2.9719 -0.9931 1965327 CMLD1_000295 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O04 compound treatment -1.907 -1.38 -1.22 -1.861 -1.33 -1.27 -2.473 -2.004565830721 -1.97996194651998 -2.5802 -0.9739 1965268 CMLD1_000296 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O05 compound treatment -1.812 -1.29 -1.14 -1.578 -1.04 -1.0 -1.485 -1.016565830721 -1.00408858123462 -1.8127 -0.998 1965328 CMLD1_000297 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccs1)c2ccc(cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O06 compound treatment -2.661 -2.14 -1.89 -2.253 -1.72 -1.64 -1.978 -1.509565830721 -1.49103753779908 -2.8984 -0.9952 1965329 CMLD1_000298 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O07 compound treatment -1.011 -0.489 -0.43 -1.172 -0.639 -0.61 -0.722 -0.253565830721003 -0.250453583549678 -0.7454 -0.9468 1965330 CMLD1_000299 CCCCC=C[C@@H](NC(=O)c1cccs1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O08 compound treatment -0.562 -0.0396 -0.03 -2.7 -2.17 -2.06 -1.483 -1.014565830721 -1.00211312907818 -1.7906 -0.7802 1965331 CMLD1_000300 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O09 compound treatment -1.627 -1.1 -0.98 -1.96 -1.43 -1.36 -1.341 -0.872565830721003 -0.861856025970361 -1.8462 -0.9807 1965332 CMLD1_000301 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O10 compound treatment -1.833 -1.31 -1.16 -1.893 -1.36 -1.3 -1.686 -1.217565830721 -1.20262152295766 -2.1113 -0.9989 1965333 CMLD1_000302 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C[C@H]3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O11 compound treatment -1.36 -0.838 -0.74 -2.048 -1.51 -1.44 -2.017 -1.548565830721 -1.52955885484982 -2.1439 -0.9616 1965334 CMLD1_000303 CCCC=C(CCC)[C@@H](NC(=O)c1ccccc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O12 compound treatment -0.958 -0.436 -0.39 -2.175 -1.64 -1.56 -2.373 -1.904565830721 -1.88118933869758 -2.2115 -0.8929 1965335 CMLD1_000304 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(OC)c(Br)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O13 compound treatment -1.571 -1.05 -0.93 -2.315 -1.78 -1.7 -2.025 -1.556565830721 -1.53746066347561 -2.403 -0.9725 1965336 CMLD1_000305 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O14 compound treatment -2.14 -1.62 -1.43 -2.073 -1.54 -1.47 -2.237 -1.768565830721 -1.74685859205911 -2.6812 -0.9959 1965337 CMLD1_000306 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccsc7Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O15 compound treatment -3.018 -2.5 -2.21 -2.31 -1.78 -1.69 -2.757 -2.288565830721 -2.26047615273561 -3.5563 -0.9923 1965338 CMLD1_000307 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O16 compound treatment -2.225 -1.7 -1.51 -2.035 -1.5 -1.43 -2.508 -2.039565830721 -2.01453235925782 -2.8582 -0.9879 1965339 CMLD1_000308 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6nc7ccccc7[nH]6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O17 compound treatment -1.514 -0.992 -0.88 -1.175 -0.642 -0.61 -1.107 -0.638565830721003 -0.630728123665935 -1.2234 -0.9857 1965340 CMLD1_000309 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccco2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O18 compound treatment -2.672 -2.15 -1.9 -2.839 -2.31 -2.2 -2.131 -1.662565830721 -1.64215962776736 -3.3136 -0.9931 1965341 CMLD1_000310 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O19 compound treatment -1.139 -0.617 -0.55 -1.128 -0.595 -0.57 -1.067 -0.598565830721003 -0.591219080536973 -0.9833 -0.9994 1965342 CMLD1_000311 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2cccs2)c3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O20 compound treatment -1.458 -0.936 -0.83 -2.46 -1.93 -1.84 -1.411 -0.942565830721003 -0.930996851446044 -2.0749 -0.9354 1965343 CMLD1_000312 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CC(=O)C(=O)N(C)C)C(=O)C=C3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O21 mock treatment -1.901 -1.38 -1.22 -2.013 -1.48 -1.41 -1.576 -1.107565830721 -1.09397165435301 -2.1493 -0.9946 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O22 mock treatment -0.984 -0.462 -0.41 -1.205 -0.672 -0.64 -0.887 -0.418565830721003 -0.413428386456645 -0.8439 -0.9762 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O23 mock treatment -0.827 -0.305 -0.27 -1.71 -1.18 -1.12 -1.845 -1.376565830721 -1.35966996939528 -1.5878 -0.8906 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 O24 mock treatment -0.737 -0.215 -0.19 -1.03 -0.497 -0.47 -0.966 -0.497565830721003 -0.491458746636345 -0.6666 -0.9412 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P01 compound treatment -1.526 -1.0 -0.89 -2.049 -1.52 -1.44 -1.653 -1.184565830721 -1.17002656237626 -2.0216 -0.9815 1965344 CMLD1_000313 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P02 compound treatment -1.957 -1.43 -1.27 -2.626 -2.09 -1.99 -2.13 -1.661565830721 -1.64117190168913 -2.8309 -0.984 1965345 CMLD1_000314 COC(=O)Cn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(F)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P03 compound treatment -0.922 -0.4 -0.35 -1.288 -0.755 -0.72 -1.093 -0.624565830721003 -0.616899958570798 -0.9753 -0.9645 1965346 CMLD1_000315 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6c[nH]c7ccc(O)cc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P04 compound treatment -1.331 -0.809 -0.71 -2.176 -1.64 -1.57 -1.448 -0.979565830721003 -0.967542716340334 -1.875 -0.9498 1965347 CMLD1_000316 COC(=O)c1ccc(cc1)C23CC3(C2)C(NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P05 compound treatment -2.16 -1.64 -1.45 -2.306 -1.77 -1.69 -1.091 -0.622565830721003 -0.61492450641435 -2.166 -0.9385 1965348 CMLD1_000317 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(Cl)c(c7)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P06 compound treatment -2.234 -1.71 -1.51 -2.35 -1.82 -1.73 -1.082 -0.613565830721003 -0.606034971710334 -2.2229 -0.9349 1965349 CMLD1_000318 COCC1[C@@H](C)C2=C3C(CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@H]43)N(C2)C(=O)OC(C)(C)C)C1COC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P07 compound treatment -0.961 -0.439 -0.39 -1.732 -1.2 -1.14 -0.753 -0.284565830721003 -0.281073091974623 -1.0456 -0.8442 1965350 CMLD1_000319 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P08 compound treatment -0.937 -0.415 -0.37 -1.545 -1.01 -0.96 -1.172 -0.703565830721003 -0.694930318750498 -1.1694 -0.9403 1965351 CMLD1_000320 COC(=O)C1(Cc2ccccc2)NCC3=C(C)C(=O)C(C)C3=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P09 compound treatment -0.979 -0.457 -0.4 -1.521 -0.988 -0.94 -0.783 -0.314565830721003 -0.310704874321345 -0.9558 -0.8931 1965352 CMLD1_000321 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P10 compound treatment -1.432 -0.91 -0.8 -2.299 -1.77 -1.68 -1.045 -0.576565830721003 -0.569489106816044 -1.7644 -0.905 1965353 CMLD1_000322 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P11 compound treatment -1.6 -1.08 -0.95 -1.16 -0.627 -0.6 -0.737 -0.268565830721003 -0.265269474723039 -1.048 -0.9071 1965354 CMLD1_000323 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccc(OC)cc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P12 compound treatment -3.032 -2.51 -2.22 -1.808 -1.27 -1.21 -1.848 -1.379565830721 -1.36263314762995 -2.7689 -0.9637 1965355 CMLD1_000324 CC[C@@H]1C(CO)C(CO)C2CC[C@H]3C(OC)OC[C@]4(C)[C@H]3C2=C1CN4C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P13 compound treatment -1.588 -1.07 -0.94 -2.37 -1.84 -1.75 -1.812 -1.343565830721 -1.32707500881389 -2.3204 -0.971 1965356 CMLD1_000325 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P14 compound treatment -1.843 -1.32 -1.17 -2.817 -2.28 -2.18 -2.145 -1.676565830721 -1.65598779286249 -2.8863 -0.9708 1965357 CMLD1_000326 COCC1[C@@H](C)C2=C3C(CC[C@H]4C(OCc5ccc(OC)cc5)OC[C@](C)([C@H]43)N(C2)C(=O)OC(C)(C)C)C1COC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P15 compound treatment -1.052 -0.53 -0.47 -1.177 -0.644 -0.61 -0.988 -0.519565830721003 -0.513188720357274 -0.9208 -0.9935 1965358 CMLD1_000327 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCn6cc(nc6C)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P16 compound treatment -1.697 -1.17 -1.04 -2.091 -1.56 -1.48 -1.284 -0.815565830721003 -0.805555639511591 -1.9215 -0.9693 1965359 CMLD1_000328 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(F)cc7COCOc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P17 compound treatment -2.011 -1.49 -1.32 -2.35 -1.82 -1.73 -0.734 -0.265565830721003 -0.262306296488367 -1.9106 -0.8724 1965360 CMLD1_000329 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3C(=C)C(=O)C=C3CN1C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P18 compound treatment -2.289 -1.77 -1.56 -2.062 -1.53 -1.46 -1.064 -0.595565830721003 -0.588255902302301 -2.0823 -0.94 1965361 CMLD1_000330 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P19 compound treatment -1.176 -0.654 -0.58 -1.663 -1.13 -1.08 -1.296 -0.827565830721003 -0.817408352450279 -1.427 -0.9708 1965362 CMLD1_000331 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6nc7ccccc7[nH]6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P20 compound treatment 0.432 0.954 0.84 -1.319 -0.786 -0.75 -0.84 -0.371565830721003 -0.367005260780115 -0.157 -0.1323 1965363 CMLD1_000332 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P21 mock treatment -0.182 0.34 0.3 -0.636 -0.103 -0.1 -0.167 0.301434169278997 0.297734389864666 0.289 0.6651 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P22 mock treatment -0.646 -0.124 -0.11 -0.903 -0.37 -0.35 -0.538 -0.069565830721003 -0.068711985156454 -0.3062 -0.8159 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P23 mock treatment -0.87 -0.348 -0.31 -0.667 -0.134 -0.13 -0.734 -0.265565830721003 -0.262306296488367 -0.4025 -0.9501 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1462 P24 mock treatment -1.529 -1.01 -0.89 -0.487 0.046 0.04 -0.774 -0.305565830721003 -0.301815339617328 -0.6627 -0.7045 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A01 compound treatment -1.831 -1.31 -1.16 -1.718 -1.18 -1.13 -1.739 -1.270565830721 -1.25497100510353 -2.0442 -0.999 2065621 ICCB6_000001 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A02 compound treatment 1.613 2.14 1.46 1.938 2.47 1.63 2.253 2.721434169279 1.69006751622425 2.7613 0.9982 2065622 ICCB6_000002 OCCCCCCCCCc1ccc(C=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A03 compound treatment -1.41 -0.888 -0.78 -1.945 -1.41 -1.35 -1.409 -0.940565830721003 -0.929021399289596 -1.766 -0.9739 2065623 ICCB6_000003 CC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A04 compound treatment -2.808 -2.29 -2.02 -2.487 -1.95 -1.86 -2.031 -1.562565830721 -1.54338701994495 -3.1324 -0.994 2065624 ICCB6_000004 CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)[C@@H]1OCCCc4ccc(C=O)o4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A05 compound treatment -1.686 -1.16 -1.03 -2.323 -1.79 -1.71 -2.185 -1.716565830721 -1.69549683599145 -2.5573 -0.9778 2065625 ICCB6_000005 Clc1ccccc1C(CC(=O)c2ccccc2)C(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A06 compound treatment 2.311 2.83 1.55 4.566 5.1 1.83 6.763 7.231434169279 1.96627542276695 3.0884 0.9953 2065626 ICCB6_000006 OCCCCCCCCCCc1ccc(C=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A07 compound treatment -1.869 -1.35 -1.19 -1.967 -1.43 -1.37 -1.75 -1.281565830721 -1.265835991964 -2.2069 -0.9984 2065627 ICCB6_000007 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A08 compound treatment -0.159 0.363 0.32 -0.136 0.397 0.38 0.0 0.468434169278997 0.462684644928082 0.671 0.989 2065628 ICCB6_000008 OC[C@H](COCCCc1ccc(C=O)o1)OCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A09 compound treatment -2.985 -2.46 -2.18 -2.8 -2.27 -2.16 -2.078 -1.609565830721 -1.58981014562148 -3.4217 -0.9906 2065629 ICCB6_000009 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A10 compound treatment 8.362 8.88 1.81 8.26 8.79 1.95 9.758 10.226434169279 2.0389153487007 3.3479 0.9988 2065630 ICCB6_000010 OCCOCCCc1ccc(C=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A11 compound treatment -2.56 -2.04 -1.8 -2.187 -1.65 -1.58 -2.359 -1.890565830721 -1.86736117360244 -3.0279 -0.9975 2065631 ICCB6_000011 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A12 compound treatment -1.547 -1.02 -0.91 -1.115 -0.582 -0.55 -1.114 -0.645565830721003 -0.637642206213503 -1.2112 -0.9778 2065632 ICCB6_000012 OCc1ccc(CCc2ccc(C=O)o2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A13 compound treatment -1.817 -1.29 -1.14 -2.0 -1.47 -1.4 -1.573 -1.104565830721 -1.09100847611834 -2.0975 -0.994 2065633 ICCB6_000013 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A14 compound treatment 4.383 4.91 1.69 4.39 4.92 1.83 3.685 4.153434169279 1.8242542108889 3.0832 0.9994 2065634 ICCB6_000014 OCCOCCOCCCc1ccc(C=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A15 compound treatment -1.934 -1.41 -1.25 -2.392 -1.86 -1.77 -1.949 -1.480565830721 -1.46239348153058 -2.5873 -0.9898 ICCB6_000015 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A16 compound treatment -0.795 -0.273 -0.24 -0.714 -0.181 -0.17 -0.317 0.151434169278997 0.14957547813106 -0.1523 -0.4589 2065635 ICCB6_000016 OCC1CC2CCN1CC2CCc3ccc(C=O)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A17 compound treatment -0.522 4.45E-4 0.0 -1.831 -1.3 -1.24 -1.564 -1.095565830721 -1.08211894141432 -1.3384 -0.8146 1952805 ICCB6_000017 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A18 compound treatment 0.295 0.817 0.72 1.147 1.68 1.5 1.175 1.643434169279 1.49785848587134 2.1453 0.9593 2065636 ICCB6_000018 OCCCCNC(=O)OCCCc1ccc(C=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A19 compound treatment -2.361 -1.84 -1.63 -2.443 -1.91 -1.82 -2.27 -1.801565830721 -1.7794535526405 -3.0163 -0.9988 1952839 ICCB6_000019 Oc1ccccc1C#CC#Cc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A20 compound treatment 2.609 3.13 1.58 2.757 3.29 1.72 3.63 4.098434169279 1.82038733737467 2.9538 0.9983 2065637 ICCB6_000020 OCCCCc1ccc(C=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A21 compound treatment -2.38 -1.86 -1.64 -2.0 -1.47 -1.4 -1.424 -0.955565830721003 -0.943837290462957 -2.2999 -0.9771 1952635 ICCB6_000021 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A22 compound treatment -1.222 -0.7 -0.62 -0.763 -0.23 -0.22 -0.169 0.299434169278997 0.295758937708218 -0.3128 -0.4346 2065638 ICCB6_000022 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A23 mock treatment -1.235 -0.713 -0.63 -1.421 -0.888 -0.85 -1.536 -1.067565830721 -1.05446261122405 -1.4609 -0.9795 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 A24 mock treatment -1.35 -0.828 -0.73 -1.119 -0.586 -0.56 -1.288 -0.819565830721003 -0.809506543824487 -1.2121 -0.9889 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B01 compound treatment -1.469 -0.947 -0.84 -1.967 -1.43 -1.37 -2.037 -1.568565830721 -1.5493133764143 -2.1663 -0.9721 2065621 ICCB6_000023 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B02 compound treatment -3.2 -2.68 -2.37 -2.798 -2.26 -2.16 -2.674 -2.205565830721 -2.17849488824301 -3.8702 -0.9991 2065639 ICCB6_000024 OB1OC(COCc2ccccc2)CC=C1C(=C)CCCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B03 compound treatment -1.974 -1.45 -1.28 -1.455 -0.922 -0.88 -1.614 -1.145565830721 -1.13150524532553 -1.9013 -0.9886 2065640 ICCB6_000025 CC1(C)OC(=O)C=C(CC(O)C2CCCCC2)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B04 compound treatment -2.065 -1.54 -1.36 -1.986 -1.45 -1.38 -2.153 -1.684565830721 -1.66388960148829 -2.5472 -0.9957 2065641 ICCB6_000026 CC(C)C(=C)C1=CCC(COCc2ccccc2)OB1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B05 compound treatment -1.128 -0.606 -0.54 -1.42 -0.887 -0.84 -1.206 -0.737565830721003 -0.728513005410115 -1.2175 -0.9839 2065642 ICCB6_000027 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B06 compound treatment -2.45 -1.93 -1.7 -2.678 -2.14 -2.04 -2.545 -2.076565830721 -2.05107822415211 -3.3478 -0.9965 2065643 ICCB6_000028 CCCC(=C)C1=CCC(COCc2ccccc2)OB1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B07 compound treatment -1.8 -1.28 -1.13 -1.698 -1.16 -1.11 -1.721 -1.252565830721 -1.2371919356955 -2.0071 -0.9988 2065644 ICCB6_000029 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B08 compound treatment -1.254 -0.732 -0.65 -1.333 -0.8 -0.76 -0.861 -0.392565830721003 -0.38774750842282 -1.0373 -0.9675 2065645 ICCB6_000030 O[C@@H]([C@H](Oc1ccccc1)C=C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B09 compound treatment -2.333 -1.81 -1.6 -2.338 -1.8 -1.72 -2.439 -1.970565830721 -1.94637925986036 -3.0407 -0.9967 2065646 ICCB6_000031 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B10 compound treatment -1.377 -0.855 -0.76 -1.453 -0.92 -0.88 -0.54 -0.071565830721003 -0.0706874373129021 -0.983 -0.848 2065647 ICCB6_000032 O[C@H](COCc1ccccc1)[C@H](Oc2ccccc2)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B11 compound treatment -1.488 -0.966 -0.85 -2.072 -1.54 -1.47 -2.15 -1.681565830721 -1.66092642325361 -2.2982 -0.968 2065648 ICCB6_000033 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B12 compound treatment -1.293 -0.771 -0.68 -1.598 -1.06 -1.01 -1.705 -1.236565830721 -1.22138831844391 -1.6842 -0.9748 2065649 ICCB6_000034 CC(C)C(=C)C(=O)CCC(COCc1ccccc1)OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B13 compound treatment -0.836 -0.314 -0.28 -1.089 -0.556 -0.53 -1.387 -0.918565830721003 -0.907291425568667 -0.9897 -0.9108 2065650 ICCB6_000035 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B14 compound treatment -2.126 -1.6 -1.42 -2.063 -1.53 -1.46 -1.876 -1.407565830721 -1.39028947782022 -2.4627 -0.9998 2065651 ICCB6_000036 CCCC(=C=CC[C@@H](OC(=O)Nc1ccc(Br)cc1)c2ccccc2)CCOC(=O)Nc3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B15 compound treatment -2.289 -1.77 -1.56 -1.747 -1.21 -1.16 -2.077 -1.608565830721 -1.58882241954326 -2.4867 -0.9906 1952458 ICCB6_000037 Fc1ccc(cc1Br)[C@@H]2C3=C(C[C@@H]4C2=CCn5n4c(=O)n(c6ccccc6)c5=O)C(=O)OC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B16 compound treatment -2.397 -1.87 -1.66 -2.085 -1.55 -1.48 -2.233 -1.764565830721 -1.74290768774621 -2.8167 -0.9977 2065652 ICCB6_000038 CC(C)C(=C=CC[C@H](COCc1ccccc1)OC(=O)c2ccc(Br)cc2)CCOC(=O)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B17 compound treatment -1.33 -0.808 -0.71 -1.392 -0.859 -0.82 -1.297 -0.828565830721003 -0.818396078528503 -1.3571 -0.998 1952808 ICCB6_000039 CCCCCc1cc2ccccc2o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B18 compound treatment -1.736 -1.21 -1.07 -1.638 -1.1 -1.05 -1.38 -0.911565830721003 -0.900377343021099 -1.747 -0.9971 2065653 ICCB6_000040 CC1(C)OC[C@@H](C=C)[C@H](CCc2ccccc2)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B19 compound treatment -1.729 -1.21 -1.07 -1.794 -1.26 -1.2 -1.635 -1.166565830721 -1.15224749296823 -1.9747 -0.9988 1952842 ICCB6_000041 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B20 compound treatment -1.728 -1.21 -1.07 -2.149 -1.62 -1.54 -1.115 -0.646565830721003 -0.638629932291727 -1.8729 -0.9467 2065654 ICCB6_000042 CCC[C@@]1(CCO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)O[C@@H](Cc4ccccc4)CC=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B21 compound treatment -1.667 -1.14 -1.01 -1.896 -1.36 -1.3 -1.891 -1.422565830721 -1.40510536899359 -2.1451 -0.9911 1952636 ICCB6_000043 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B22 compound treatment -2.0 -1.48 -1.31 -2.169 -1.64 -1.56 -1.835 -1.366565830721 -1.34979270861304 -2.4333 -0.9969 3056822 ICCB6_000044 CC(C)[Si](OC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)c4ccccc4C3=O)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B23 mock treatment -0.814 -0.292 -0.26 -1.194 -0.661 -0.63 -1.0 -0.531565830721003 -0.525041433295962 -0.8155 -0.9489 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 B24 mock treatment -1.093 -0.571 -0.5 -1.312 -0.779 -0.74 -1.189 -0.720565830721003 -0.711721662080307 -1.1306 -0.9872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C01 compound treatment -1.254 -0.732 -0.65 -1.969 -1.44 -1.37 -1.911 -1.442565830721 -1.42485989055807 -1.9858 -0.9555 2065655 ICCB6_000045 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(C)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C02 compound treatment -0.096 0.426 0.38 0.093 0.626 0.6 0.19 0.658434169278997 0.65035259979065 0.9375 0.977 2065656 ICCB6_000046 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C03 compound treatment -1.825 -1.3 -1.15 -1.425 -0.892 -0.85 -1.394 -0.925565830721003 -0.914205508116236 -1.6833 -0.9912 2065657 ICCB6_000047 COC(=O)c1cn2c(c1C(=O)OC)c(=O)n(C)c3ccccc32 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C04 compound treatment 0.87 1.39 1.23 0.75 1.28 1.22 1.603 2.071434169279 1.59035216940036 2.3346 0.992 2065658 ICCB6_000048 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@H](COC2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C05 compound treatment -1.08 -0.558 -0.49 -1.051 -0.518 -0.49 -1.273 -0.804565830721003 -0.794690652651126 -1.0283 -0.9725 2065659 ICCB6_000049 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3Cl)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C06 compound treatment 1.162 1.68 1.38 1.325 1.86 1.53 1.182 1.650434169279 1.49961941228462 2.5485 0.999 2065660 ICCB6_000050 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C07 compound treatment -0.931 -0.409 -0.36 0.247 0.78 0.74 -0.342 0.126434169278997 0.124882326175459 0.2926 0.3502 2065661 ICCB6_000051 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)CCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C08 compound treatment -0.276 0.246 0.22 0.161 0.694 0.66 0.211 0.679434169278997 0.671094847433355 0.895 0.9256 2065662 ICCB6_000052 CC(C)[C@@H]1N(C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2)C(=O)OC1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C09 compound treatment -2.392 -1.87 -1.65 -2.735 -2.2 -2.1 -1.77 -1.301565830721 -1.28559051352848 -2.9076 -0.981 2065663 ICCB6_000053 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C10 compound treatment -1.039 -0.517 -0.46 -0.446 0.087 0.08 -0.453 0.015434169278997 0.0152447314925897 -0.207 -0.4457 2065664 ICCB6_000054 COC(=O)[C@H](Cc1ccccc1)NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C11 compound treatment -1.651 -1.13 -1.0 -2.034 -1.5 -1.43 -1.967 -1.498565830721 -1.48017255093861 -2.2562 -0.9865 2065665 ICCB6_000055 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C12 compound treatment -1.522 -1.0 -0.88 -1.972 -1.44 -1.37 -1.866 -1.397565830721 -1.38041221703798 -2.0986 -0.9822 2065666 ICCB6_000056 CCc1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C13 compound treatment -0.977 -0.455 -0.4 -1.772 -1.24 -1.18 -1.849 -1.380565830721 -1.36362087370818 -1.7007 -0.9205 1065064 ICCB6_000057 [O-][N+](=O)c1ccc(CBr)c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C14 compound treatment -2.265 -1.74 -1.54 -1.857 -1.32 -1.26 -1.929 -1.460565830721 -1.4426389599661 -2.4506 -0.9967 2065667 ICCB6_000058 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C15 compound treatment -0.913 -0.391 -0.35 -1.467 -0.934 -0.89 -1.696 -1.227565830721 -1.2124987837399 -1.4131 -0.9158 1952482 ICCB6_000059 Fc1ccc(cc1Br)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C16 compound treatment 0.805 1.33 1.17 0.727 1.26 1.2 1.11 1.578434169279 1.48102812763923 2.2257 0.9942 2065668 ICCB6_000060 COc1cccc(C)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C17 compound treatment -1.333 -0.811 -0.72 -1.169 -0.636 -0.61 -1.222 -0.753565830721003 -0.7443166226617 -1.1932 -0.9963 1952809 ICCB6_000061 CC(=O)Oc1ccccc1C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C18 compound treatment -2.071 -1.55 -1.37 -2.41 -1.88 -1.79 -1.579 -1.110565830721 -1.09693483258768 -2.4561 -0.9805 2065669 ICCB6_000062 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(C#N)cc2)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C19 compound treatment -0.526 -0.00355 0.0 -1.012 -0.479 -0.46 -0.568 -0.0995658307210029 -0.0983437675031753 -0.322 -0.6899 1952773 ICCB6_000063 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C20 compound treatment 1.14 1.66 1.38 2.095 2.63 1.65 0.822 1.290434169279 1.27459548122825 2.484 0.9939 2065670 ICCB6_000064 CCOC(=O)CNC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C21 compound treatment -1.31 -0.788 -0.7 -1.667 -1.13 -1.08 -1.202 -0.733565830721003 -0.724562101097219 -1.444 -0.9787 1952585 ICCB6_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C22 compound treatment 1.458 1.98 1.44 6.945 7.48 1.92 4.895 5.363434169279 1.89413240234374 3.0311 0.9921 2065671 ICCB6_000066 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2F)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C23 mock treatment -0.629 -0.107 -0.09 -1.234 -0.701 -0.67 -0.915 -0.446565830721003 -0.441084716646919 -0.6946 -0.862 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 C24 mock treatment -1.42 -0.898 -0.79 -1.611 -1.08 -1.03 -1.245 -0.776565830721003 -0.767034322460853 -1.4939 -0.991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D01 compound treatment -1.839 -1.32 -1.16 -1.835 -1.3 -1.24 -2.46 -1.991565830721 -1.96712150750307 -2.5238 -0.9705 2065672 ICCB6_000067 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D02 compound treatment -1.24 -0.718 -0.63 -1.699 -1.17 -1.11 -1.323 -0.854565830721003 -0.844076956562329 -1.4949 -0.9754 2065673 ICCB6_000068 CC(C)[Si](OC[C@@H]1CC=C(C)B(O)O1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D03 compound treatment -1.022 -0.5 -0.44 -1.46 -0.927 -0.88 -1.313 -0.844565830721003 -0.834199695780088 -1.2465 -0.9643 2065674 ICCB6_000069 CCOC(=O)C1[C@H](CCc2ccccc2)O[C@H](CCc3ccccc3)CC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D04 compound treatment -1.406 -0.884 -0.78 -1.815 -1.28 -1.22 -1.111 -0.642565830721003 -0.634679027978831 -1.5225 -0.9621 2065675 ICCB6_000070 CC(C)[Si](OC[C@H]1OB(O)CC=C1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D05 compound treatment -1.25 -0.728 -0.64 -1.105 -0.572 -0.54 1.139 1.607434169279 1.48864587669481 0.1735 0.1014 2065676 ICCB6_000071 C[Si](C)(C(N[Si](=O)(=O)c1ccccc1)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D06 compound treatment -1.878 -1.36 -1.2 -0.871 -0.338 -0.32 -1.165 -0.696565830721003 -0.68801623620293 -1.275 -0.8986 2065677 ICCB6_000072 CC(C)[Si](OCC(O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D07 compound treatment -1.602 -1.08 -0.95 -1.19 -0.657 -0.63 -0.231 0.237434169278997 0.234519920858328 -0.777 -0.6668 2065678 ICCB6_000073 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D08 compound treatment -0.767 -0.245 -0.22 -0.581 -0.048 -0.05 -1.247 -0.778565830721003 -0.769009774617301 -0.5952 -0.7439 2065679 ICCB6_000074 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D09 compound treatment -1.108 -0.586 -0.52 -1.603 -1.07 -1.02 -1.116 -0.647565830721003 -0.639617658369952 -1.2567 -0.9593 2065680 ICCB6_000075 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)CCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D10 compound treatment -1.886 -1.36 -1.21 -1.77 -1.24 -1.18 -0.945 -0.476565830721003 -0.47071649899364 -1.6481 -0.9416 2065681 ICCB6_000076 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D11 compound treatment -1.516 -0.994 -0.88 -1.143 -0.61 -0.58 -0.832 -0.363565830721003 -0.359103452154323 -1.05 -0.9436 2065682 ICCB6_000077 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D12 compound treatment -2.039 -1.52 -1.34 -1.309 -0.776 -0.74 -1.245 -0.776565830721003 -0.767034322460853 -1.6437 -0.9599 2065683 ICCB6_000078 CC(C)[Si](OCC(O)/C(=C\CO)/C)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D13 compound treatment -1.609 -1.09 -0.96 -1.814 -1.28 -1.22 -2.0 -1.531565830721 -1.51276751152001 -2.1326 -0.9836 1952278 ICCB6_000079 COC(=O)c1nc(oc1C)C(NC(=O)CCc2cn(CC=C)c3ccccc23)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D14 compound treatment -1.095 -0.573 -0.51 -0.878 -0.345 -0.33 -1.157 -0.688565830721003 -0.680114427577137 -0.8746 -0.9619 2065684 ICCB6_000080 CC(C)[Si](OCC(O)/C=C\CO)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D15 compound treatment -0.682 -0.16 -0.14 -0.804 -0.271 -0.26 -0.855 -0.386565830721003 -0.381821151953476 -0.4509 -0.9355 2065685 ICCB6_000081 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D16 compound treatment -0.906 -0.384 -0.34 -0.518 0.015 0.01 -0.512 -0.043565830721003 -0.0430311071226289 -0.2123 -0.6207 2065686 ICCB6_000082 CC(C)[Si](OC[C@@H](O)[C@@]1(C)OC(C)(C)OC1CO)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D17 compound treatment -1.067 -0.545 -0.48 -0.667 -0.134 -0.13 -1.151 -0.682565830721003 -0.674188071107793 -0.7409 -0.8839 1952811 ICCB6_000083 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D18 compound treatment -1.4 -0.878 -0.78 -0.971 -0.438 -0.42 -0.885 -0.416565830721003 -0.411452934300197 -0.9264 -0.9528 2065687 ICCB6_000084 CC(C)[Si](OC[C@@H](O)[C@H]1OC(C)(C)OC1CO)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D19 compound treatment -1.605 -1.08 -0.96 -1.146 -0.613 -0.58 -0.598 -0.129565830721003 -0.127975549849897 -0.9636 -0.8539 1952780 ICCB6_000085 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D20 compound treatment -1.0 -0.478 -0.42 -0.955 -0.422 -0.4 -1.134 -0.665565830721003 -0.657396727777984 -0.8554 -0.9735 2065688 ICCB6_000086 CC1(C)OC(CO)[C@H](O1)[C@H](O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D21 compound treatment -0.759 -0.237 -0.21 -0.853 -0.32 -0.3 -0.138 0.330434169278997 0.326378446133164 -0.1083 -0.2196 1952670 ICCB6_000087 COCCNC(=O)OC[C@H]1CCC[C@@]2(C[C@@H](C[C@@H](CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D22 compound treatment -1.548 -1.03 -0.91 -1.287 -0.754 -0.72 -0.326 0.142434169278997 0.140685943427043 -0.8569 -0.7354 2065689 ICCB6_000088 C/C(=C/CO)/[C@H](O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D23 mock treatment -0.693 -0.171 -0.15 -0.588 -0.055 -0.05 -0.012 0.456434169278997 0.450831931989393 0.143 0.299 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 D24 mock treatment -1.381 -0.859 -0.76 -0.933 -0.4 -0.38 -0.702 -0.233565830721003 -0.230699061985197 -0.7914 -0.8992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E01 compound treatment -2.892 -2.37 -2.09 -2.281 -1.75 -1.67 -2.233 -1.764565830721 -1.74290768774621 -3.1772 -0.9948 2065690 ICCB6_000089 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)c(Cl)c4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E02 compound treatment -2.783 -2.26 -2.0 -2.098 -1.56 -1.49 -1.952 -1.483565830721 -1.46535665976525 -2.8606 -0.9891 2065691 ICCB6_000090 COc1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E03 compound treatment -1.381 -0.859 -0.76 -1.646 -1.11 -1.06 -1.52 -1.051565830721 -1.03865899397247 -1.65 -0.9898 2065692 ICCB6_000091 CCOC(=O)C1[C@@H](O[C@@H](CC1=O)c2ccccc2)C3CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E04 compound treatment 1.507 2.03 1.45 0.909 1.44 1.37 0.164 0.632434169278997 0.624671721756825 1.9884 0.9515 2065693 ICCB6_000092 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](O)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E05 compound treatment -1.762 -1.24 -1.1 -1.614 -1.08 -1.03 -1.339 -0.870565830721003 -0.859880573813913 -1.7237 -0.995 2065694 ICCB6_000093 COc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)[Si](C)(C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E06 compound treatment -1.611 -1.09 -0.96 -1.12 -0.587 -0.56 -1.378 -0.909565830721003 -0.898401890864651 -1.3972 -0.9768 2065695 ICCB6_000094 CC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E07 compound treatment -2.525 -2.0 -1.77 -2.426 -1.89 -1.8 -2.333 -1.864565830721 -1.84168029556861 -3.1266 -0.9999 2065696 ICCB6_000095 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E08 compound treatment -2.273 -1.75 -1.55 -2.068 -1.53 -1.46 -2.14 -1.671565830721 -1.65104916247137 -2.691 -0.9988 2065697 ICCB6_000096 CCOC(=O)c1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E09 compound treatment -2.947 -2.42 -2.14 -2.663 -2.13 -2.03 -2.309 -1.840565830721 -1.81797486969124 -3.4587 -0.9977 2065698 ICCB6_000097 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E10 compound treatment -2.796 -2.27 -2.01 -1.928 -1.39 -1.33 -2.128 -1.659565830721 -1.63919644953268 -2.8741 -0.9862 2065699 ICCB6_000098 CCCCOC(=O)c1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E11 compound treatment -1.797 -1.27 -1.13 -2.203 -1.67 -1.59 -2.448 -1.979565830721 -1.95526879456438 -2.6979 -0.9771 1952474 ICCB6_000099 OCCCCCNC(CCO)Cc1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E12 compound treatment 6.717 7.24 1.77 6.051 6.58 1.89 7.768 8.236434169279 1.99482712600661 3.267 0.9988 2065700 ICCB6_000100 COC(=O)[C@@H](NC(=O)OC/C=C/c1ccc(CCCCCCO)o1)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E13 compound treatment -2.012 -1.49 -1.32 -1.765 -1.23 -1.17 -1.543 -1.074565830721 -1.06137669377162 -2.0507 -0.9961 1952280 ICCB6_000101 COC(=O)c1nc2oc1CC/C=C/Cn3cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)c4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E14 compound treatment -2.154 -1.63 -1.44 -1.628 -1.09 -1.04 -1.649 -1.180565830721 -1.16607565806337 -2.1083 -0.9907 2065701 ICCB6_000102 COc1cccc(Cl)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E15 compound treatment -0.657 -0.135 -0.12 -1.48 -0.947 -0.9 -1.478 -1.009565830721 -0.997174498687055 -1.1652 -0.8632 1952487 ICCB6_000103 Fc1ccc(cc1Br)[C@H]2C3=CCn4n(C3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)c(=O)n(c6ccccc6)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E16 compound treatment -1.831 -1.31 -1.16 -1.698 -1.16 -1.11 -1.382 -0.913565830721003 -0.902352795177547 -1.8296 -0.9946 2065702 ICCB6_000104 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E17 compound treatment -2.836 -2.31 -2.05 -2.643 -2.11 -2.01 -2.526 -2.057565830721 -2.03231142866585 -3.5148 -1.0 1952813 ICCB6_000105 OCCCC#Cc1cc(O)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E18 compound treatment -2.847 -2.32 -2.06 -1.817 -1.28 -1.22 -2.233 -1.764565830721 -1.74290768774621 -2.899 -0.9796 2065703 ICCB6_000106 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](OC(=O)C)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E19 compound treatment -1.852 -1.33 -1.18 -1.69 -1.16 -1.1 -1.4 -0.931565830721003 -0.92013186458558 -1.8462 -0.995 3107406 ICCB6_000107 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E20 compound treatment -2.286 -1.76 -1.56 -2.038 -1.5 -1.43 -2.356 -1.887565830721 -1.86439799536777 -2.8043 -0.9938 2065704 ICCB6_000108 C[C@@H]([C@H](OC(=O)C)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E21 compound treatment -2.034 -1.51 -1.34 -1.907 -1.37 -1.31 -1.027 -0.558565830721003 -0.551710037408012 -1.8458 -0.9464 ICCB6_000109 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E22 compound treatment -2.255 -1.73 -1.53 -1.5 -0.967 -0.92 -1.718 -1.249565830721 -1.23422875746083 -2.1288 -0.98 2065705 ICCB6_000110 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2cccc(C)c2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E23 mock treatment -0.942 -0.42 -0.37 -1.174 -0.641 -0.61 -1.016 -0.547565830721003 -0.540845050547547 -0.8789 -0.9809 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 E24 mock treatment 0.776 1.3 1.15 1.474 2.01 1.56 1.603 2.071434169279 1.59035216940036 2.4816 0.9902 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F01 compound treatment 0.325 0.847 0.75 -1.144 -0.611 -0.58 -1.91 -1.441565830721 -1.42387216447984 -0.7255 -0.424 2065706 ICCB6_000111 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(OC)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F02 compound treatment -2.271 -1.75 -1.55 -2.067 -1.53 -1.46 -2.024 -1.555565830721 -1.53647293739738 -2.6233 -0.9997 2065707 ICCB6_000112 CC(C)[Si](OC[C@@H](O)C(C=C)C(O)c1ccccc1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F03 compound treatment -1.919 -1.4 -1.23 -1.802 -1.27 -1.21 -2.096 -1.627565830721 -1.60758921502951 -2.3389 -0.991 1009686 ICCB6_000113 O=C(CC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F04 compound treatment -1.785 -1.26 -1.12 -1.324 -0.791 -0.75 -1.5 -1.031565830721 -1.01890447240798 -1.6678 -0.9876 2065708 ICCB6_000114 OC/C=C\C(O)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F05 compound treatment -1.778 -1.26 -1.11 -1.707 -1.17 -1.12 -1.591 -1.122565830721 -1.10878754552637 -1.9267 -1.0 2065709 ICCB6_000115 CCCCCCCCNC(=O)CC[C@H]1O[C@H](O[C@H]2O[C@H](CCC(=O)NCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F06 compound treatment -1.852 -1.33 -1.18 -1.695 -1.16 -1.11 -1.649 -1.180565830721 -1.16607565806337 -1.991 -0.9997 2065710 ICCB6_000116 CC1=C([C@H](O)C(C)(C)C)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F07 compound treatment -1.672 -1.15 -1.02 -1.712 -1.18 -1.12 -0.459 0.00943416927899698 0.00931837502324545 -1.2298 -0.8119 2065711 ICCB6_000117 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F08 compound treatment -1.287 -0.765 -0.68 -1.742 -1.21 -1.15 -1.299 -0.830565830721003 -0.820371530684952 -1.5288 -0.9755 2065712 ICCB6_000118 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F09 compound treatment -2.164 -1.64 -1.45 -2.342 -1.81 -1.72 -2.393 -1.924565830721 -1.90094386026206 -2.9304 -0.9941 2065713 ICCB6_000119 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F10 compound treatment -1.708 -1.19 -1.05 -2.047 -1.51 -1.44 -1.697 -1.228565830721 -1.21348650981812 -2.1384 -0.9915 2065714 ICCB6_000120 C[C@@H](O)C1=CC[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F11 compound treatment -2.097 -1.57 -1.39 -2.698 -2.16 -2.06 -2.7 -2.231565830721 -2.20417576627684 -3.267 -0.9828 1952476 ICCB6_000121 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2c(Br)sc3ccc(Cl)cc23)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F12 compound treatment -1.684 -1.16 -1.03 -1.421 -0.888 -0.85 -1.537 -1.068565830721 -1.05545033730227 -1.6906 -0.9955 2065715 ICCB6_000122 OC[C@@H]1[C@H]2[C@@H](CC=C1CO)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F13 compound treatment -1.202 -0.68 -0.6 -1.522 -0.989 -0.94 -1.111 -0.642565830721003 -0.634679027978831 -1.2572 -0.9784 1952282 ICCB6_000123 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F14 compound treatment -1.812 -1.29 -1.14 -1.549 -1.02 -0.97 -1.611 -1.142565830721 -1.12854206709085 -1.8686 -0.9974 2065716 ICCB6_000124 CC1=C(CO)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F15 compound treatment -2.083 -1.56 -1.38 -1.6 -1.07 -1.02 -2.141 -1.672565830721 -1.6520368885496 -2.3372 -0.9819 1952488 ICCB6_000125 Fc1ccc(cc1Br)[C@H]2C3=CCC4=C(C3CC5=C2C(=O)C(=CC5=O)I)C(=O)C(=CC4=O)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F16 compound treatment -1.333 -0.811 -0.72 -1.139 -0.606 -0.58 -1.35 -0.881565830721003 -0.870745560674378 -1.2497 -0.9865 2065717 ICCB6_000126 C/C(=C/CO)/C(O)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F17 compound treatment -1.778 -1.26 -1.11 -1.225 -0.692 -0.66 -1.439 -0.970565830721003 -0.958653181636318 -1.5749 -0.9794 1952814 ICCB6_000127 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F18 compound treatment -2.316 -1.79 -1.59 -1.909 -1.38 -1.31 -1.902 -1.433565830721 -1.41597035585405 -2.4898 -0.9969 2065718 ICCB6_000128 CC(C)[Si](OCC1OB(O)CC=C1C)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F19 compound treatment -1.619 -1.1 -0.97 -1.705 -1.17 -1.12 -0.451 0.017434169278997 0.0172201836490378 -1.1944 -0.8077 1952785 ICCB6_000129 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F20 compound treatment -1.788 -1.27 -1.12 -2.387 -1.85 -1.77 -1.41 -0.941565830721003 -0.93000912536782 -2.2026 -0.9626 2065719 ICCB6_000130 OB1CC=C(C(O1)c2ccccc2)C(=C)COCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F21 compound treatment -1.61 -1.09 -0.96 -1.775 -1.24 -1.18 -1.623 -1.154565830721 -1.14039478002954 -1.8966 -0.9962 3107360 ICCB6_000131 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F22 compound treatment -1.903 -1.38 -1.22 -2.524 -1.99 -1.9 -2.103 -1.634565830721 -1.61450329757708 -2.7319 -0.9849 2065720 ICCB6_000132 OC/C=C(\C(O)c1ccccc1)/C(=C)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F23 mock treatment -1.049 -0.527 -0.47 -1.035 -0.502 -0.48 -0.986 -0.517565830721003 -0.511213268200826 -0.84 -0.9992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 F24 mock treatment -1.197 -0.675 -0.6 -0.943 -0.41 -0.39 -1.108 -0.639565830721003 -0.631715849744159 -0.9345 -0.9811 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G01 compound treatment -1.093 -0.571 -0.5 -1.771 -1.24 -1.18 -1.733 -1.264565830721 -1.24904464863419 -1.6933 -0.9458 2065721 ICCB6_000133 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4cccs4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G02 compound treatment -1.744 -1.22 -1.08 -1.505 -0.972 -0.93 -1.741 -1.272565830721 -1.25694645725998 -1.8838 -0.9924 3057351 ICCB6_000134 CC(C)C[C@H](CI)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G03 compound treatment -0.841 -0.319 -0.28 -1.379 -0.846 -0.81 -1.966 -1.497565830721 -1.47918482486039 -1.4819 -0.8677 2065722 ICCB6_000135 Clc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)C(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G04 compound treatment -1.426 -0.904 -0.8 -1.553 -1.02 -0.97 -1.685 -1.216565830721 -1.20163379687943 -1.716 -0.9864 3057353 ICCB6_000136 CC(C)(C)OC[C@@H](O)[C@H]1O[C@H](NO)C2OC(C)(C)OC12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G05 compound treatment -2.164 -1.64 -1.45 -1.921 -1.39 -1.32 -1.6 -1.131565830721 -1.11767708023039 -2.2466 -0.9944 2065723 ICCB6_000137 CCCCCCCNCC(=O)NC[C@H]1O[C@H](O[C@H]2O[C@H](CNC(=O)CCNCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G06 compound treatment -1.861 -1.34 -1.18 -1.756 -1.22 -1.17 -1.434 -0.965565830721003 -0.953714551245197 -1.9065 -0.9955 2065724 ICCB6_000138 CC(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G07 compound treatment -1.108 -0.586 -0.52 -0.362 0.171 0.16 -0.921 -0.452565830721003 -0.447011073116263 -0.4629 -0.6583 2065725 ICCB6_000139 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G08 compound treatment -0.257 0.265 0.23 0.209 0.742 0.71 0.105 0.573434169278997 0.566395883141606 0.8706 0.9304 2065726 ICCB6_000140 CC(C)(C)[Si](C)(C)OCC1=CC(C#C)N(C=C1)C(=O)c2ccccc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G09 compound treatment -1.444 -0.922 -0.81 -2.159 -1.63 -1.55 -1.692 -1.223565830721 -1.208547879427 -2.0624 -0.9697 2065727 ICCB6_000141 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G10 compound treatment 1.493 2.02 1.44 2.275 2.81 1.67 1.177 1.645434169279 1.49836260180257 2.6632 0.998 3057357 ICCB6_000142 OC(=O)c1[se]c2ccccc2c1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G11 compound treatment -1.889 -1.37 -1.21 -2.406 -1.87 -1.78 -2.278 -1.809565830721 -1.78735536126629 -2.7596 -0.9857 1952478 ICCB6_000143 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2ccc3ccccc3c2Br)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G12 compound treatment -1.844 -1.32 -1.17 -2.177 -1.64 -1.57 -2.413 -1.944565830721 -1.92069838182654 -2.6877 -0.9809 3057359 ICCB6_000144 CC(C)(C)[Si](C)(C)OCC1=CC(C=C)N(C=C1)C(=O)c2[se]c3ccccc3c2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G13 compound treatment -0.81 -0.288 -0.25 -1.462 -0.929 -0.88 -1.529 -1.060565830721 -1.04754852867648 -1.2625 -0.9052 1952284 ICCB6_000145 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G14 compound treatment -1.833 -1.31 -1.16 -1.724 -1.19 -1.13 -1.952 -1.483565830721 -1.46535665976525 -2.17 -0.9929 2065728 ICCB6_000146 CCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)C=CN1C(=O)c2ccccc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G15 compound treatment -2.118 -1.6 -1.41 -1.618 -1.08 -1.03 -2.271 -1.802565830721 -1.78044127871872 -2.4391 -0.9774 2065729 ICCB6_000147 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G16 compound treatment -1.029 -0.507 -0.45 -1.191 -0.658 -0.63 -1.375 -0.906565830721003 -0.895438712629979 -1.1374 -0.9629 2065730 ICCB6_000148 CC(C)(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G17 compound treatment -1.866 -1.34 -1.19 -1.591 -1.06 -1.01 -1.783 -1.314565830721 -1.29843095254539 -2.0173 -0.9948 1952760 ICCB6_000149 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G18 compound treatment -1.713 -1.19 -1.05 -1.864 -1.33 -1.27 -1.227 -0.758565830721003 -0.74925525305282 -1.7723 -0.9791 2065731 ICCB6_000150 CC(=O)N[C@@H](CI)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G19 compound treatment -0.747 -0.225 -0.2 -0.247 0.286 0.27 -0.832 -0.363565830721003 -0.359103452154323 -0.1646 -0.3342 1952788 ICCB6_000151 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G20 compound treatment -0.887 -0.365 -0.32 -1.0 -0.467 -0.44 -0.75 -0.281565830721003 -0.278109913739951 -0.6035 -0.9801 2065732 ICCB6_000152 COc1cc2CCN(Cc3ccccc3Br)C(C=C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G21 compound treatment -1.101 -0.579 -0.51 -1.529 -0.996 -0.95 -1.194 -0.725565830721003 -0.716660292471427 -1.2569 -0.971 1952728 ICCB6_000153 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G22 compound treatment -1.022 -0.5 -0.44 -1.161 -0.628 -0.6 -1.066 -0.597565830721003 -0.590231354458749 -0.9411 -0.9913 2065733 ICCB6_000154 CN1C(=O)C2C(C1=O)C3(C4C(C5C=C(CCCO[Si](C)(C)C(C)(C)C)CC2N53)C(=O)N(C)C4=O)C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G23 mock treatment -0.984 -0.462 -0.41 -1.221 -0.688 -0.66 -1.045 -0.576565830721003 -0.569489106816044 -0.9428 -0.9827 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 G24 mock treatment -0.885 -0.363 -0.32 -1.782 -1.25 -1.19 -1.581 -1.112565830721 -1.09891028474413 -1.5065 -0.9124 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H01 compound treatment -1.081 -0.559 -0.49 -1.618 -1.08 -1.03 -1.712 -1.243565830721 -1.22830240099148 -1.591 -0.9473 2065734 ICCB6_000155 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4Cl)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H02 compound treatment -1.286 -0.764 -0.68 -1.2 -0.667 -0.64 -1.535 -1.066565830721 -1.05347488514583 -1.3648 -0.9726 2065735 ICCB6_000156 CC(=C)C1=CCB(O)OC1c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H03 compound treatment -0.747 -0.225 -0.2 -1.07 -0.537 -0.51 -0.826 -0.357565830721003 -0.353177095684979 -0.6139 -0.9407 2065736 ICCB6_000157 CC(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H04 compound treatment -0.966 -0.444 -0.39 -0.974 -0.441 -0.42 0.102 0.570434169278997 0.563432704906934 -0.1436 -0.1785 2065737 ICCB6_000158 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H05 compound treatment -1.185 -0.663 -0.59 -1.436 -0.903 -0.86 -1.179 -0.710565830721003 -0.701844401298066 -1.24 -0.9879 2065738 ICCB6_000159 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H06 compound treatment -0.98 -0.458 -0.4 -1.457 -0.924 -0.88 -1.175 -0.706565830721003 -0.69789349698517 -1.1447 -0.9587 2065739 ICCB6_000160 CC(=C)/C(=C/CO)/C(O)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H07 compound treatment -1.388 -0.866 -0.77 -1.811 -1.28 -1.22 -0.239 0.229434169278997 0.226618112232535 -1.0139 -0.6965 2065740 ICCB6_000161 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H08 compound treatment -1.452 -0.93 -0.82 -1.235 -0.702 -0.67 -1.145 -0.676565830721003 -0.668261714638449 -1.2464 -0.995 2065741 ICCB6_000162 CC1=NC(C)(C)[C@@H]2CCC(=C)C1C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H09 compound treatment -0.875 -0.353 -0.31 -1.229 -0.696 -0.66 -0.287 0.181434169278997 0.179207260477781 -0.4593 -0.6089 2065742 ICCB6_000163 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H10 compound treatment -1.143 -0.621 -0.55 -1.085 -0.552 -0.53 -0.422 0.046434169278997 0.0458642399175351 -0.5939 -0.78 2065743 ICCB6_000164 C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H11 compound treatment -1.189 -0.667 -0.59 -1.489 -0.956 -0.91 -1.453 -0.984565830721003 -0.972481346731454 -1.4275 -0.9799 1952534 ICCB6_000165 C[C@H](N)C(Oc1ccccc1Br)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H12 compound treatment -2.381 -1.86 -1.64 -1.403 -0.87 -0.83 -0.478 -0.00956583072100298 -0.00944842046301135 -1.4326 -0.7784 2065744 ICCB6_000166 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H13 compound treatment -1.182 -0.66 -0.58 -1.642 -1.11 -1.06 -1.893 -1.424565830721 -1.40708082115003 -1.759 -0.9489 1952286 ICCB6_000167 COC(=O)c1nc(oc1CCC=C)C(NC(=O)[C@H](Cc2cn(CC=C)cn2)NC(=O)OCc3ccccc3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H14 compound treatment -0.644 -0.122 -0.11 -0.819 -0.286 -0.27 -0.88 -0.411565830721003 -0.406514303909077 -0.454 -0.9062 2065745 ICCB6_000168 CC(C)C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H15 compound treatment -1.581 -1.06 -0.94 -1.367 -0.834 -0.79 -1.767 -1.298565830721 -1.2826273352938 -1.7395 -0.9798 1952677 ICCB6_000169 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H16 compound treatment -1.052 -0.53 -0.47 -0.478 0.055 0.05 -0.231 0.237434169278997 0.234519920858328 -0.1046 -0.1988 2065746 ICCB6_000170 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H17 compound treatment -0.746 -0.224 -0.2 -1.455 -0.922 -0.88 -1.215 -0.746565830721003 -0.737402540114132 -1.0469 -0.8996 1952821 ICCB6_000171 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H18 compound treatment -0.292 0.23 0.2 0.529 1.06 1.01 0.055 0.523434169278997 0.517009579230404 1.0003 0.8665 2065747 ICCB6_000172 COc1cc(C[C@H]2NC(C)(C)C3CCC(=C)[C@H]2C3)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H19 compound treatment -1.107 -0.585 -0.52 -1.196 -0.663 -0.63 -0.233 0.235434169278997 0.232544468701879 -0.5288 -0.6231 1952600 ICCB6_000173 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H20 compound treatment 0.152 0.674 0.6 0.212 0.745 0.71 -0.336 0.132434169278997 0.130808682644803 0.8296 0.8861 2065748 ICCB6_000174 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2C)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H21 compound treatment -0.532 -0.00955 -0.01 -0.852 -0.319 -0.3 -0.371 0.097434169278997 0.0962382699069614 -0.1247 -0.3912 1952730 ICCB6_000175 O=c1cc(Cc2ccccc2)c3ccccc3o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H22 compound treatment -1.3 -0.778 -0.69 -1.174 -0.641 -0.61 -0.78 -0.311565830721003 -0.307741696086673 -0.9271 -0.9562 2065749 ICCB6_000176 CC1(C)N=C(/C=C/2\C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H23 mock treatment -0.881 -0.359 -0.32 -0.636 -0.103 -0.1 -0.826 -0.357565830721003 -0.353177095684979 -0.4436 -0.9153 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 H24 mock treatment -1.791 -1.27 -1.12 -1.071 -0.538 -0.51 -0.817 -0.348565830721003 -0.344287560980962 -1.1422 -0.8922 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I01 compound treatment -3.013 -2.49 -2.2 -2.5 -1.97 -1.87 -2.766 -2.297565830721 -2.26936568743962 -3.6633 -0.9967 2065750 ICCB6_000177 COC(=O)[C@@H]1[C@H](N([C@H](c2ccccc2)[C@@]13C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I02 compound treatment -2.443 -1.92 -1.7 -2.055 -1.52 -1.45 -2.078 -1.609565830721 -1.58981014562148 -2.7353 -0.9979 2065751 ICCB6_000178 CC(C)(C)[Si](C)(C)OCCCC1=CC2C3C(C(=O)N(Cc4ccccc4)C3=O)C5(C6C(C(C1)N25)C(=O)N(Cc7ccccc7)C6=O)C(=O)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I03 compound treatment -1.769 -1.25 -1.1 -1.7 -1.17 -1.11 -1.593 -1.124565830721 -1.11076299768282 -1.9194 -1.0 2065752 ICCB6_000179 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Cl)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I04 compound treatment -1.662 -1.14 -1.01 -1.437 -0.904 -0.86 -1.377 -0.908565830721003 -0.897414164786427 -1.597 -0.9977 2065753 ICCB6_000180 COc1cc(CN[C@@H](C)[C@H](Oc2ccccc2Br)c3ccccc3)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I05 compound treatment -1.447 -0.925 -0.82 -1.983 -1.45 -1.38 -1.673 -1.204565830721 -1.18978108394074 -1.9563 -0.9792 2065754 ICCB6_000181 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I06 compound treatment -2.391 -1.87 -1.65 -1.866 -1.33 -1.27 -2.093 -1.624565830721 -1.60462603679484 -2.6133 -0.9937 2065755 ICCB6_000182 COc1cc(CN[C@H]([C@H](O)c2ccccc2)c3ccccc3)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I07 compound treatment -2.404 -1.88 -1.66 -2.274 -1.74 -1.66 -2.0 -1.531565830721 -1.51276751152001 -2.7914 -0.9991 2065756 ICCB6_000183 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I08 compound treatment -2.012 -1.49 -1.32 -1.918 -1.38 -1.32 -2.143 -1.674565830721 -1.65401234070604 -2.477 -0.9939 2065757 ICCB6_000184 COc1cc(CN(Cc2ccccc2Br)[C@H]([C@H](O)c3ccccc3)c4ccccc4)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I09 compound treatment -2.207 -1.68 -1.49 -2.494 -1.96 -1.87 -1.775 -1.306565830721 -1.2905291439196 -2.6835 -0.9883 2065758 ICCB6_000185 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I10 compound treatment -2.235 -1.71 -1.51 -1.6 -1.07 -1.02 -2.229 -1.760565830721 -1.73895678343331 -2.465 -0.9782 2065759 ICCB6_000186 COc1cc(CN(Cc2ccccc2Br)[C@H](C)C(Oc3ccccc3Br)c4ccccc4)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I11 compound treatment -2.053 -1.53 -1.35 -2.24 -1.71 -1.63 -2.347 -1.878565830721 -1.85550846066375 -2.7914 -0.992 1952544 ICCB6_000187 O=C1Nc2ccccc2[C@@]31[C@@H](C#N)C4N([C@H]3c5ccccc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I12 compound treatment -2.155 -1.63 -1.44 -1.987 -1.45 -1.39 -2.167 -1.698565830721 -1.67771776658342 -2.6016 -0.9965 2065760 ICCB6_000188 COc1cc(CN(Cc2ccccc2Br)[C@H](C(Oc3ccccc3Br)c4ccccc4)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I13 compound treatment -2.662 -2.14 -1.89 -2.268 -1.73 -1.65 -2.487 -2.018565830721 -1.99379011161512 -3.1975 -0.997 1952288 ICCB6_000189 COC(=O)c1nc2oc1CC/C=C/Cn3cnc(C[C@H](NC(=O)OCc4ccccc4)C(=O)NC2C(C)C)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I14 compound treatment -1.84 -1.32 -1.16 -1.639 -1.11 -1.05 -1.486 -1.017565830721 -1.00507630731285 -1.8611 -0.9981 2065761 ICCB6_000190 C[C@@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I15 compound treatment -0.422 0.1 0.09 -1.194 -0.661 -0.63 -1.315 -0.846565830721003 -0.836175147936536 -0.795 -0.7568 1952679 ICCB6_000191 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I16 compound treatment -1.254 -0.732 -0.65 -1.088 -0.555 -0.53 -0.94 -0.471565830721003 -0.46577786860252 -0.9476 -0.9907 2065762 ICCB6_000192 C[C@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I17 compound treatment -1.239 -0.717 -0.63 -2.018 -1.48 -1.41 -1.953 -1.484565830721 -1.46634438584348 -2.0291 -0.951 1952823 ICCB6_000193 C#Cc1ccccc1Oc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I18 compound treatment -2.262 -1.74 -1.54 -2.0 -1.47 -1.4 -1.791 -1.322565830721 -1.30633276117118 -2.449 -0.9977 2065763 ICCB6_000194 C[C@H](C(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I19 compound treatment -1.82 -1.3 -1.15 -1.937 -1.4 -1.34 -1.826 -1.357565830721 -1.34090317390902 -2.2087 -0.9975 1952601 ICCB6_000195 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I20 compound treatment -1.397 -0.875 -0.77 -1.284 -0.751 -0.72 -1.431 -0.962565830721003 -0.950751373010525 -1.4084 -0.9925 2065764 ICCB6_000196 C[C@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I21 compound treatment -2.268 -1.75 -1.54 -2.167 -1.63 -1.56 -2.041 -1.572565830721 -1.55326428072719 -2.6865 -1.0 1952746 ICCB6_000197 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I22 compound treatment -1.254 -0.732 -0.65 -1.111 -0.578 -0.55 -1.169 -0.700565830721003 -0.691967140515826 -1.0908 -0.9956 2065765 ICCB6_000198 C[C@@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I23 mock treatment -0.76 -0.238 -0.21 -0.924 -0.391 -0.37 -1.018 -0.549565830721003 -0.542820502703995 -0.6497 -0.9402 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 I24 mock treatment -1.093 -0.571 -0.5 -0.929 -0.396 -0.38 -1.038 -0.569565830721003 -0.562575024268476 -0.8338 -0.9873 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J01 compound treatment -1.354 -0.832 -0.74 -0.74 -0.207 -0.2 -1.905 -1.436565830721 -1.41893353408872 -1.3575 -0.8431 2065766 ICCB6_000199 COC(=O)C1=CN([C@H](c2ccccc2)[C@]31C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J02 compound treatment -1.916 -1.39 -1.23 -1.837 -1.3 -1.24 -1.852 -1.383565830721 -1.36658405194285 -2.2175 -0.9989 2065767 ICCB6_000200 CC1(C)N[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J03 compound treatment -1.783 -1.26 -1.11 -1.337 -0.804 -0.77 -1.838 -1.369565830721 -1.35275588684771 -1.8666 -0.9759 2065768 ICCB6_000201 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Br)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J04 compound treatment -1.219 -0.697 -0.62 -0.658 -0.125 -0.12 -1.088 -0.619565830721003 -0.611961328179678 -0.7776 -0.8874 2065769 ICCB6_000202 CN1[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J05 compound treatment -2.135 -1.61 -1.43 -1.597 -1.06 -1.01 -1.882 -1.413565830721 -1.39621583428957 -2.2144 -0.9894 2065770 ICCB6_000203 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J06 compound treatment -1.672 -1.15 -1.02 -1.872 -1.34 -1.28 -0.71 -0.241565830721003 -0.23860087061099 -1.461 -0.8864 2065771 ICCB6_000204 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J07 compound treatment -2.048 -1.53 -1.35 -1.942 -1.41 -1.34 -1.267 -0.798565830721003 -0.788764296181782 -2.009 -0.9753 2065772 ICCB6_000205 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J08 compound treatment -1.203 -0.681 -0.6 -1.984 -1.45 -1.38 -0.933 -0.464565830721003 -0.458863786054951 -1.4103 -0.895 2065773 ICCB6_000206 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J09 compound treatment -2.105 -1.58 -1.4 -2.691 -2.16 -2.06 -2.042 -1.573565830721 -1.55425200680542 -2.892 -0.9862 2065774 ICCB6_000207 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J10 compound treatment -1.351 -0.829 -0.73 -2.0 -1.47 -1.4 -1.69 -1.221565830721 -1.20657242727055 -1.9264 -0.9698 2065775 ICCB6_000208 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J11 compound treatment -1.506 -0.984 -0.87 -1.804 -1.27 -1.21 -1.651 -1.182565830721 -1.16805111021982 -1.8755 -0.9903 2065776 ICCB6_000209 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J12 compound treatment -2.056 -1.53 -1.36 -2.202 -1.67 -1.59 -2.156 -1.687565830721 -1.66685277972296 -2.6631 -0.9963 2065777 ICCB6_000210 OCCOc1cccc(c1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J13 compound treatment -1.39 -0.868 -0.77 -1.281 -0.748 -0.71 -1.893 -1.424565830721 -1.40708082115003 -1.6666 -0.9503 1952295 ICCB6_000211 COC(=O)c1nc(oc1CC(=O)CCl)C(NC(=O)NC(=O)OC(C)(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J14 compound treatment -1.815 -1.29 -1.14 -1.693 -1.16 -1.11 -2.012 -1.543565830721 -1.5246202244587 -2.178 -0.9888 2065778 ICCB6_000212 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J15 compound treatment -1.435 -0.913 -0.81 -1.184 -0.651 -0.62 -1.514 -1.045565830721 -1.03273263750312 -1.4201 -0.9795 1952690 ICCB6_000213 COC(=O)CC(C(=O)OC)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J16 compound treatment -1.524 -1.0 -0.89 -1.037 -0.504 -0.48 -1.379 -0.910565830721003 -0.899389616942875 -1.3077 -0.9684 2065779 ICCB6_000214 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC(C(=O)OC)C(=O)OC)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J17 compound treatment -1.722 -1.2 -1.06 -1.609 -1.08 -1.03 -1.6 -1.131565830721 -1.11767708023039 -1.8494 -0.9994 1952825 ICCB6_000215 CCCC(C)(O)C#Cc1cc(cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1OC(=O)C)c2cc(F)cc(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J18 compound treatment -1.967 -1.44 -1.28 -2.507 -1.97 -1.88 -1.889 -1.420565830721 -1.40312991683714 -2.6331 -0.9857 2065780 ICCB6_000216 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J19 compound treatment -1.569 -1.05 -0.93 -1.286 -0.753 -0.72 -1.337 -0.868565830721003 -0.857905121657465 -1.4436 -0.9946 1952605 ICCB6_000217 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J20 compound treatment -1.179 -0.657 -0.58 -1.672 -1.14 -1.09 -0.909 -0.440565830721003 -0.435158360177574 -1.2128 -0.9292 2065781 ICCB6_000218 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J21 compound treatment -1.397 -0.875 -0.77 -1.706 -1.17 -1.12 -1.416 -0.947565830721003 -0.935935481837165 -1.6319 -0.989 3005760 ICCB6_000219 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J22 compound treatment -1.325 -0.803 -0.71 -1.581 -1.05 -1.0 -1.415 -0.946565830721003 -0.934947755758941 -1.5258 -0.9902 2065782 ICCB6_000220 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCNC(=O)N)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J23 mock treatment -1.057 -0.535 -0.47 -1.117 -0.584 -0.56 -1.105 -0.636565830721003 -0.628752671509487 -0.957 -0.9934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 J24 mock treatment -0.759 -0.237 -0.21 -1.241 -0.708 -0.67 -0.94 -0.471565830721003 -0.46577786860252 -0.779 -0.921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K01 compound treatment -1.653 -1.13 -1.0 -2.051 -1.52 -1.45 -2.11 -1.641565830721 -1.62141738012465 -2.3481 -0.9819 2065783 ICCB6_000221 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C)c5ccccc52 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K02 compound treatment -1.506 -0.984 -0.87 -1.394 -0.861 -0.82 -1.671 -1.202565830721 -1.1878056317843 -1.6614 -0.9859 2065784 ICCB6_000222 CC(Oc1ccccc1Br)[C@H](N(C)C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K03 compound treatment -1.771 -1.25 -1.1 -1.25 -0.717 -0.68 -1.935 -1.466565830721 -1.44856531643544 -1.868 -0.9604 2065785 ICCB6_000223 COC(=O)C(C(c1ccc(OC)cc1)[Si](C)(C)c2ccccc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K04 compound treatment -1.625 -1.1 -0.97 -1.603 -1.07 -1.02 -1.944 -1.475565830721 -1.45745485113946 -1.9927 -0.9825 2065786 ICCB6_000224 C[C@H](C(Oc1ccccc1[N+](=O)[O-])c2ccccc2)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K05 compound treatment -2.015 -1.49 -1.32 -1.747 -1.21 -1.16 -1.887 -1.418565830721 -1.40115446468069 -2.2385 -0.9969 2065787 ICCB6_000225 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K06 compound treatment -2.618 -2.1 -1.85 -2.064 -1.53 -1.46 -2.103 -1.634565830721 -1.61450329757708 -2.8438 -0.9952 2065788 ICCB6_000226 COc1cc(/C=C/C=O)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K07 compound treatment -1.351 -0.829 -0.73 -1.49 -0.957 -0.91 -1.057 -0.588565830721003 -0.581341819754733 -1.2849 -0.9838 2065789 ICCB6_000227 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)CCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K08 compound treatment -0.96 -0.438 -0.39 -2.033 -1.5 -1.43 -1.295 -0.826565830721003 -0.816420626372055 -1.5197 -0.8989 2065790 ICCB6_000228 COc1cc(/C=C/CN[C@H](C)[C@@H](O)c2ccccc2)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K09 compound treatment -1.576 -1.05 -0.93 -2.132 -1.6 -1.52 -1.605 -1.136565830721 -1.12261571062151 -2.0654 -0.9793 2065791 ICCB6_000229 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K10 compound treatment -0.629 -0.107 -0.09 -0.897 -0.364 -0.35 -0.84 -0.371565830721003 -0.367005260780115 -0.4665 -0.9082 2065792 ICCB6_000230 CC(C)[Si](OCC1CCC=CC1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K11 compound treatment 0.66 1.18 1.05 -0.077 0.456 0.43 -0.346 0.122434169278997 0.120931421862562 0.9242 0.8118 1034979 ICCB6_000231 c1c(cn2ccccc12)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K12 compound treatment -0.246 0.276 0.24 -1.061 -0.528 -0.5 -0.602 -0.133565830721003 -0.131926454162793 -0.2254 -0.3924 2065793 ICCB6_000232 CC1(C)COC(=O)C1OC(=O)C2CC3CCC2C=C3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K13 compound treatment -0.641 -0.119 -0.1 -0.782 -0.249 -0.24 -0.58 -0.111565830721003 -0.110196480441864 -0.2611 -0.9266 1952379 ICCB6_000233 CC(C)[Si](OCc1ccc(C=O)o1)(C(C)C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K14 compound treatment -0.28 0.242 0.21 0.022 0.555 0.53 0.028 0.496434169278997 0.490340975118355 0.7121 0.9466 2065794 ICCB6_000234 OCC1CC2CCC1C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K15 compound treatment -1.013 -0.491 -0.43 -1.191 -0.658 -0.63 -1.338 -0.869565830721003 -0.858892847735689 -1.1082 -0.965 1952707 ICCB6_000235 CCCCSc1cc(=O)oc2cc(OC)ccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K16 compound treatment -2.212 -1.69 -1.49 -2.193 -1.66 -1.58 -2.661 -2.192565830721 -2.1656544492261 -3.0257 -0.9857 2065795 ICCB6_000236 Ic1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K17 compound treatment -1.522 -1.0 -0.88 -1.554 -1.02 -0.97 -1.444 -0.975565830721003 -0.963591812027438 -1.6281 -0.9991 1952828 ICCB6_000237 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K18 compound treatment -1.92 -1.4 -1.24 -1.37 -0.837 -0.8 -1.856 -1.387565830721 -1.37053495625574 -1.965 -0.9775 2065796 ICCB6_000238 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3cccnc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K19 compound treatment -0.685 -0.163 -0.14 -0.841 -0.308 -0.29 -0.831 -0.362565830721003 -0.358115726076099 -0.4591 -0.9471 1952608 ICCB6_000239 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K20 compound treatment -0.508 0.0144 0.01 -1.633 -1.1 -1.05 -1.133 -0.664565830721003 -0.65640900169976 -0.9766 -0.7898 2065797 ICCB6_000240 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3ccco3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K21 compound treatment -1.046 -0.524 -0.46 -1.269 -0.736 -0.7 -1.0 -0.531565830721003 -0.525041433295962 -0.9752 -0.9843 3005761 ICCB6_000241 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K22 compound treatment -1.277 -0.755 -0.67 -1.771 -1.24 -1.18 -1.781 -1.312565830721 -1.29645550038894 -1.8146 -0.9676 2065798 ICCB6_000242 Ic1ccc2NC(=O)/C(=C/C#N)/c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K23 mock treatment -1.018 -0.496 -0.44 -1.132 -0.599 -0.57 -1.029 -0.560565830721003 -0.55368548956446 -0.9021 -0.9937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 K24 mock treatment -1.101 -0.579 -0.51 -1.524 -0.991 -0.94 -0.916 -0.447565830721003 -0.442072442725143 -1.0956 -0.9435 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L01 compound treatment -1.063 -0.541 -0.48 -1.907 -1.37 -1.31 -1.704 -1.235565830721 -1.22040059236569 -1.7362 -0.9373 2065799 ICCB6_000243 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccccc52 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L02 compound treatment -1.023 -0.501 -0.44 -1.297 -0.764 -0.73 -1.167 -0.698565830721003 -0.689991688359378 -1.0741 -0.9798 2065800 ICCB6_000244 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#Cc6ccccc6F)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L03 compound treatment -0.254 0.268 0.24 0.012 0.545 0.52 -0.128 0.340434169278997 0.336255706915404 0.6309 0.9523 2065801 ICCB6_000245 COC(=O)C(C(c1ccco1)[Si](C)(C)c2ccccc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L04 compound treatment -0.968 -0.446 -0.39 -1.149 -0.616 -0.59 -1.427 -0.958565830721003 -0.946800468697629 -1.1128 -0.9419 2065802 ICCB6_000246 CCCCC[C@H](O)C#Cc1ccc2NC(=O)[C@@]3([C@H](C4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N(C)OC)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L05 compound treatment -1.032 -0.51 -0.45 -1.972 -1.44 -1.37 -1.314 -0.845565830721003 -0.835187421858312 -1.5337 -0.9199 2065803 ICCB6_000247 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L06 compound treatment -1.013 -0.491 -0.43 -1.862 -1.33 -1.27 -1.748 -1.279565830721 -1.26386053980755 -1.711 -0.9295 2065804 ICCB6_000248 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)[C@H](C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L07 compound treatment -0.987 -0.465 -0.41 -1.731 -1.2 -1.14 -0.078 0.390434169278997 0.385642010826606 -0.6734 -0.5291 2065805 ICCB6_000249 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L08 compound treatment -1.654 -1.13 -1.0 -1.915 -1.38 -1.32 -1.317 -0.848565830721003 -0.838150600092984 -1.8216 -0.9826 2065806 ICCB6_000250 OCCOc1ccc(cc1)C2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L09 compound treatment -0.902 -0.38 -0.34 -2.0 -1.47 -1.4 -0.345 0.123434169278997 0.121919147940787 -0.9302 -0.6449 2065807 ICCB6_000251 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L10 compound treatment -0.144 0.378 0.33 -0.81 -0.277 -0.26 -0.833 -0.364565830721003 -0.360091178232547 -0.1671 -0.2994 2065808 ICCB6_000252 CON(C)C(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(I)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L11 compound treatment -1.35 -0.828 -0.73 -1.042 -0.509 -0.48 -1.105 -0.636565830721003 -0.628752671509487 -1.0654 -0.9867 2065809 ICCB6_000253 COC(=O)Cc1cn[nH]c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L12 compound treatment -2.804 -2.28 -2.02 -1.706 -1.17 -1.12 -1.86 -1.391565830721 -1.37448586056864 -2.6033 -0.9697 2065810 ICCB6_000254 CCOC(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(Br)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L13 compound treatment -1.238 -0.716 -0.63 -1.975 -1.44 -1.37 -1.75 -1.281565830721 -1.265835991964 -1.8892 -0.9579 1952411 ICCB6_000255 CC(C)[Si](OCc1ccc(o1)[C@@H](O)[C@H](C)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3)(C(C)C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L14 compound treatment -1.062 -0.54 -0.48 -1.423 -0.89 -0.85 -1.312 -0.843565830721003 -0.833211969701864 -1.2459 -0.9728 2065811 ICCB6_000256 OCCOc1ccc(cc1)C2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L15 compound treatment -0.919 -0.397 -0.35 -1.294 -0.761 -0.72 -1.736 -1.267565830721 -1.25200782686886 -1.3438 -0.9027 1952793 ICCB6_000257 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L16 compound treatment -0.967 -0.445 -0.39 -0.826 -0.293 -0.28 -0.418 0.050434169278997 0.0498151442304313 -0.3593 -0.7414 2065812 ICCB6_000258 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L17 compound treatment -0.556 -0.0336 -0.03 -0.718 -0.185 -0.18 -0.75 -0.281565830721003 -0.278109913739951 -0.2794 -0.8453 1952829 ICCB6_000259 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L18 compound treatment -0.784 -0.262 -0.23 -1.519 -0.986 -0.94 -1.465 -0.996565830721003 -0.984334059670143 -1.2441 -0.9015 2065813 ICCB6_000260 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L19 compound treatment -0.629 -0.107 -0.09 -0.825 -0.292 -0.28 -0.497 -0.028565830721003 -0.0282152159492682 -0.2313 -0.7839 1952582 ICCB6_000261 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCOC)O3)O2)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L20 compound treatment -0.939 -0.417 -0.37 -0.744 -0.211 -0.2 -1.0 -0.531565830721003 -0.525041433295962 -0.6318 -0.9401 2065814 ICCB6_000262 CON(C)C(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(Br)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L21 compound treatment -0.693 -0.171 -0.15 -1.0 -0.467 -0.44 -0.061 0.407434169278997 0.402433354156415 -0.1115 -0.1803 1952748 ICCB6_000263 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L22 compound treatment -1.126 -0.604 -0.53 -1.072 -0.539 -0.51 -1.061 -0.592565830721003 -0.585292724067629 -0.9424 -0.9985 2065815 ICCB6_000264 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L23 mock treatment -0.564 -0.0416 -0.04 -0.909 -0.376 -0.36 -0.55 -0.081565830721003 -0.0805646980951426 -0.2745 -0.744 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 L24 mock treatment -1.492 -0.97 -0.86 -0.912 -0.379 -0.36 -1.183 -0.714565830721003 -0.705795305610962 -1.1108 -0.9514 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M01 compound treatment -1.862 -1.34 -1.18 -1.727 -1.19 -1.14 -1.805 -1.336565830721 -1.32016092626632 -2.1026 -0.998 2065816 ICCB6_000265 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccc(Cl)cc52 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M02 compound treatment -2.038 -1.52 -1.34 -1.762 -1.23 -1.17 -2.042 -1.573565830721 -1.55425200680542 -2.3469 -0.9934 2065817 ICCB6_000266 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M03 compound treatment -1.167 -0.645 -0.57 -1.29 -0.757 -0.72 -1.362 -0.893565830721003 -0.882598273613066 -1.2549 -0.9848 2065818 ICCB6_000267 COc1ccc(cc1)C(CC(=O)c2ccccc2)[Si](C)(C)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M04 compound treatment -0.887 -0.365 -0.32 -1.082 -0.549 -0.52 -0.837 -0.368565830721003 -0.364042082545443 -0.6982 -0.9778 2065819 ICCB6_000268 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M05 compound treatment -1.129 -0.607 -0.54 -2.0 -1.47 -1.4 -1.81 -1.341565830721 -1.32509955665744 -1.8815 -0.9412 2065820 ICCB6_000269 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M06 compound treatment -2.263 -1.74 -1.54 -1.887 -1.35 -1.29 -1.795 -1.326565830721 -1.31028366548408 -2.3896 -0.9967 2065821 ICCB6_000270 COC(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M07 compound treatment -2.323 -1.8 -1.59 -2.426 -1.89 -1.8 -2.391 -1.922565830721 -1.89896840810561 -3.0566 -0.9974 2065822 ICCB6_000271 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M08 compound treatment -1.574 -1.05 -0.93 -1.594 -1.06 -1.01 -1.702 -1.233565830721 -1.21842514020924 -1.8237 -0.9934 2065823 ICCB6_000272 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCC4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M09 compound treatment -2.404 -1.88 -1.66 -2.014 -1.48 -1.41 -2.043 -1.574565830721 -1.55523973288364 -2.6729 -0.9978 2065824 ICCB6_000273 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M10 compound treatment -1.673 -1.15 -1.02 -1.477 -0.944 -0.9 -1.273 -0.804565830721003 -0.794690652651126 -1.5653 -0.995 2065825 ICCB6_000274 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCc4ccccc4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M11 compound treatment -2.95 -2.43 -2.15 -3.613 -3.08 -2.93 -4.2 -3.731565830721 -3.6857648836129 -5.0611 -0.9776 2065826 ICCB6_000275 CC(C(=O)O)c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M12 compound treatment -1.774 -1.25 -1.11 -1.608 -1.07 -1.02 -1.824 -1.355565830721 -1.33892772175257 -2.0031 -0.9934 2065827 ICCB6_000276 OCCNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(I)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M13 compound treatment -1.214 -0.692 -0.61 -1.145 -0.612 -0.58 -0.787 -0.318565830721003 -0.314655778634241 -0.8712 -0.9664 1952416 ICCB6_000277 Clc1c(Cl)c(Cl)c(OCc2ccccc2)c(Cl)c1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M14 compound treatment -1.952 -1.43 -1.26 -2.018 -1.48 -1.41 -1.5 -1.031565830721 -1.01890447240798 -2.1347 -0.9914 2065828 ICCB6_000278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M15 compound treatment -1.699 -1.18 -1.04 -1.419 -0.886 -0.84 -1.222 -0.753565830721003 -0.7443166226617 -1.5176 -0.9903 1952795 ICCB6_000279 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M16 compound treatment -1.914 -1.39 -1.23 -1.726 -1.19 -1.14 -1.342 -0.873565830721003 -0.862843752048586 -1.8646 -0.9897 2065829 ICCB6_000280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)C(C(OC3=O)c5ccccc5)c6ccccc6)C(=O)N(C)OC)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M17 compound treatment -2.329 -1.81 -1.6 -2.909 -2.38 -2.26 -1.907 -1.438565830721 -1.42090898624517 -3.0493 -0.9794 1952832 ICCB6_000281 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M18 compound treatment -2.23 -1.71 -1.51 -1.859 -1.33 -1.26 -2.13 -1.661565830721 -1.64117190168913 -2.5484 -0.9944 3176523 ICCB6_000282 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCC(C)C)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M19 compound treatment -1.718 -1.2 -1.06 -1.682 -1.15 -1.09 -2.135 -1.666565830721 -1.64611053208025 -2.1926 -0.9781 1952627 ICCB6_000283 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M20 compound treatment -1.609 -1.09 -0.96 -1.117 -0.584 -0.56 -1.554 -1.085565830721 -1.07224168063208 -1.4949 -0.9686 3056713 ICCB6_000284 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@@H](C(C)C)C(=O)OC)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M21 compound treatment -1.961 -1.44 -1.27 -1.57 -1.04 -0.99 -1.871 -1.402565830721 -1.3853508474291 -2.1045 -0.9907 1107217 ICCB6_000285 Cc1cccnc1I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M22 compound treatment -2.14 -1.62 -1.43 -1.646 -1.11 -1.06 -2.159 -1.690565830721 -1.66981595795763 -2.4019 -0.984 3176524 ICCB6_000286 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@H](C)c5ccccc5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M23 mock treatment -1.375 -0.853 -0.75 -1.091 -0.558 -0.53 -1.614 -1.145565830721 -1.13150524532553 -1.3953 -0.9558 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 M24 mock treatment -1.033 -0.511 -0.45 -1.275 -0.742 -0.71 -0.931 -0.462565830721003 -0.456888333898503 -0.9325 -0.9764 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N01 compound treatment -1.338 -0.816 -0.72 -0.067 0.466 0.44 -1.802 -1.333565830721 -1.31719774803165 -0.9204 -0.5878 2065830 ICCB6_000287 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccc(Cl)cc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N02 compound treatment -1.816 -1.29 -1.14 -1.489 -0.956 -0.91 -1.742 -1.273565830721 -1.2579341833382 -1.9123 -0.9915 2065831 ICCB6_000288 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N03 compound treatment -1.703 -1.18 -1.04 -1.424 -0.891 -0.85 -1.691 -1.222565830721 -1.20756015334878 -1.7898 -0.9901 2065832 ICCB6_000289 C[Si](C)(F)C(CC(=O)c1ccccc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N04 compound treatment -1.841 -1.32 -1.17 -1.329 -0.796 -0.76 -1.833 -1.364565830721 -1.34781725645659 -1.889 -0.9754 2065833 ICCB6_000290 CCCCOc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N(C)OC)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N05 compound treatment -1.931 -1.41 -1.25 -1.414 -0.881 -0.84 -1.4 -0.931565830721003 -0.92013186458558 -1.7347 -0.985 2065834 ICCB6_000291 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N06 compound treatment -1.068 -0.546 -0.48 -1.647 -1.11 -1.06 0.28 0.748434169278997 0.739247946830814 -0.4644 -0.3364 2065835 ICCB6_000292 CC1(C)N[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC1CCC4=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N07 compound treatment -1.425 -0.903 -0.8 -0.571 -0.038 -0.04 -1.697 -1.228565830721 -1.21348650981812 -1.1822 -0.8137 2065836 ICCB6_000293 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N08 compound treatment -0.945 -0.423 -0.37 -1.299 -0.766 -0.73 -0.347 0.121434169278997 0.119943695784338 -0.5677 -0.6853 2065837 ICCB6_000294 CN1[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N09 compound treatment -1.813 -1.29 -1.14 -2.013 -1.48 -1.41 -1.94 -1.471565830721 -1.45350394682656 -2.3119 -0.9947 2065838 ICCB6_000295 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N10 compound treatment -1.655 -1.13 -1.0 -1.818 -1.28 -1.22 -1.443 -0.974565830721003 -0.962604085949214 -1.8406 -0.9942 2065839 ICCB6_000296 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CC3CCC2(C)C3(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N11 compound treatment -1.219 -0.697 -0.62 -1.385 -0.852 -0.81 -1.381 -0.912565830721003 -0.901365069099323 -1.3445 -0.9884 2065840 ICCB6_000297 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N12 compound treatment -1.412 -0.89 -0.79 -2.145 -1.61 -1.54 -1.897 -1.428565830721 -1.41103172546293 -2.1553 -0.967 2065841 ICCB6_000298 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N13 compound treatment -0.758 -0.236 -0.21 -0.92 -0.387 -0.37 -0.83 -0.361565830721003 -0.357127999997875 -0.5393 -0.9736 1952445 ICCB6_000299 Clc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(CNC(=O)OCc5ccccc5)cc4)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N14 compound treatment -1.526 -1.0 -0.89 -1.408 -0.875 -0.83 -1.487 -1.018565830721 -1.00606403339107 -1.5743 -0.9969 2065842 ICCB6_000300 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N15 compound treatment -1.041 -0.519 -0.46 -1.026 -0.493 -0.47 -1.072 -0.603565830721003 -0.596157710928094 -0.88 -0.9925 1952801 ICCB6_000301 Oc1ccccc1C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N16 compound treatment -0.731 -0.209 -0.18 -0.814 -0.281 -0.27 -0.811 -0.342565830721003 -0.338361204511618 -0.4563 -0.9726 2065843 ICCB6_000302 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N17 compound treatment -1.652 -1.13 -1.0 -2.158 -1.62 -1.55 -1.857 -1.388565830721 -1.37152268233397 -2.2622 -0.985 1952836 ICCB6_000303 CC(=O)c1ccc2oc(cc2c1)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N18 compound treatment -1.789 -1.27 -1.12 -1.825 -1.29 -1.23 -1.455 -0.986565830721003 -0.974456798887902 -1.9197 -0.9955 2065844 ICCB6_000304 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N19 compound treatment -1.015 -0.493 -0.44 -1.161 -0.628 -0.6 -1.113 -0.644565830721003 -0.636654480135279 -0.9644 -0.988 1952631 ICCB6_000305 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N20 compound treatment -1.507 -0.985 -0.87 -1.431 -0.898 -0.86 -1.5 -1.031565830721 -1.01890447240798 -1.5847 -0.9968 2065845 ICCB6_000306 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N21 compound treatment -1.097 -0.575 -0.51 -1.067 -0.534 -0.51 -1.019 -0.550565830721003 -0.543808228782219 -0.9009 -0.9995 3005761 ICCB6_000307 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N22 compound treatment -1.404 -0.882 -0.78 -1.087 -0.554 -0.53 -0.987 -0.518565830721003 -0.51220099427905 -1.0504 -0.9802 2065846 ICCB6_000308 CN(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)Cc8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N23 mock treatment -1.095 -0.573 -0.51 -0.843 -0.31 -0.3 -1.07 -0.601565830721003 -0.594182258771646 -0.8058 -0.9655 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 N24 mock treatment -1.484 -0.962 -0.85 -1.391 -0.858 -0.82 -1.594 -1.125565830721 -1.11175072376104 -1.6046 -0.99 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O01 compound treatment -0.756 -0.234 -0.21 -1.393 -0.86 -0.82 -1.856 -1.387565830721 -1.37053495625574 -1.3835 -0.8593 2065847 ICCB6_000309 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3cccc(F)c3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O02 compound treatment -0.515 0.00745 0.01 -1.802 -1.27 -1.21 -2.167 -1.698565830721 -1.67771776658342 -1.6628 -0.8041 3176588 ICCB6_000310 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)NCc5ccc(Cl)c(Cl)c5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O03 compound treatment -1.792 -1.27 -1.12 -1.602 -1.07 -1.02 -1.701 -1.232565830721 -1.21743741413102 -1.9389 -0.9974 2065848 ICCB6_000311 Cc1ccc(cc1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O04 compound treatment -1.913 -1.39 -1.23 -1.989 -1.46 -1.39 -2.079 -1.610565830721 -1.59079787169971 -2.429 -0.9945 3176589 ICCB6_000312 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O05 compound treatment -1.954 -1.43 -1.27 -2.053 -1.52 -1.45 -1.987 -1.518565830721 -1.49992707250309 -2.4327 -0.9975 2065849 ICCB6_000313 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)CCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O06 compound treatment -1.775 -1.25 -1.11 -1.757 -1.22 -1.17 -2.055 -1.586565830721 -1.56709244582233 -2.2173 -0.9875 2065850 ICCB6_000314 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(Br)cc4)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O07 compound treatment -0.63 -0.108 -0.1 -1.742 -1.21 -1.15 -0.938 -0.469565830721003 -0.463802416446072 -0.9876 -0.7931 2065851 ICCB6_000315 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O08 compound treatment -0.529 -0.00655 -0.01 -1.382 -0.849 -0.81 -0.937 -0.468565830721003 -0.462814690367848 -0.7375 -0.7914 2065852 ICCB6_000316 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(cc4)[N+](=O)[O-])cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O09 compound treatment -1.344 -0.822 -0.73 -1.926 -1.39 -1.33 -1.597 -1.128565830721 -1.11471390199572 -1.8291 -0.9734 2065853 ICCB6_000317 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O10 compound treatment -1.159 -0.637 -0.56 -1.029 -0.496 -0.47 -1.109 -0.640565830721003 -0.632703575822383 -0.963 -0.9931 2065854 ICCB6_000318 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O11 compound treatment 1.135 1.66 1.38 -1.22 -0.687 -0.65 -1.382 -0.913565830721003 -0.902352795177547 -0.1042 -0.0588 2065855 ICCB6_000319 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O12 compound treatment -1.275 -0.753 -0.67 -2.415 -1.88 -1.79 -1.382 -0.913565830721003 -0.902352795177547 -1.9402 -0.9176 2065856 ICCB6_000320 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O13 compound treatment -2.009 -1.49 -1.31 -1.715 -1.18 -1.13 -2.012 -1.543565830721 -1.5246202244587 -2.2891 -0.9925 1952450 ICCB6_000321 CCOC(=O)C(O)C(O)c1ccc(CO[Si](C(C)C)(C(C)C)c2ccccc2)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O14 compound treatment -1.352 -0.83 -0.73 -1.207 -0.674 -0.64 -1.213 -0.744565830721003 -0.735427087957684 -1.2187 -0.9981 2065857 ICCB6_000322 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O15 compound treatment -0.864 -0.342 -0.3 -0.655 -0.122 -0.12 -1.033 -0.564565830721003 -0.557636393877356 -0.5634 -0.8738 1952761 ICCB6_000323 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O16 compound treatment -1.692 -1.17 -1.03 -1.346 -0.813 -0.77 -1.895 -1.426565830721 -1.40905627330648 -1.8576 -0.9717 2065858 ICCB6_000324 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O17 compound treatment -1.926 -1.4 -1.24 -1.39 -0.857 -0.82 -1.045 -0.576565830721003 -0.569489106816044 -1.5166 -0.9533 1952837 ICCB6_000325 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O18 compound treatment -2.148 -1.63 -1.44 -1.686 -1.15 -1.1 -1.819 -1.350565830721 -1.33398909136145 -2.2341 -0.994 2065859 ICCB6_000326 CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](OC(=O)/C=C/C=C/C)[C@H]1OC(=O)/C=C/C=C/C)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O19 compound treatment -0.57 -0.0476 -0.04 -0.944 -0.411 -0.39 -0.707 -0.238565830721003 -0.235637692376317 -0.3863 -0.842 1952633 ICCB6_000327 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O20 compound treatment -1.59 -1.07 -0.94 -2.117 -1.58 -1.51 -1.391 -0.922565830721003 -0.911242329881564 -1.9422 -0.9713 2065860 ICCB6_000328 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(c2ccccc2)(c3ccccc3)c4ccccc4)O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O21 compound treatment -1.051 -0.529 -0.47 -1.33 -0.797 -0.76 -1.0 -0.531565830721003 -0.525041433295962 -1.0113 -0.9774 1952755 ICCB6_000329 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O22 compound treatment -1.663 -1.14 -1.01 -2.071 -1.54 -1.47 -1.798 -1.329565830721 -1.31324684371875 -2.1863 -0.9889 2065861 ICCB6_000330 C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC=C)C(C)(C)C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O23 mock treatment -0.837 -0.315 -0.28 -1.219 -0.686 -0.65 -0.958 -0.489565830721003 -0.483556938010553 -0.817 -0.9509 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 O24 mock treatment -0.281 0.241 0.21 -0.841 -0.308 -0.29 -0.791 -0.322565830721003 -0.318606682947137 -0.2301 -0.4765 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P01 compound treatment -0.896 -0.374 -0.33 -1.553 -1.02 -0.97 -1.486 -1.017565830721 -1.00507630731285 -1.3319 -0.9273 2065862 ICCB6_000331 CC1(C)OCC2=C(CC(CCc3ccccc3)OC2CCc4ccccc4)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P02 compound treatment -1.186 -0.664 -0.59 -1.386 -0.853 -0.81 -1.297 -0.828565830721003 -0.818396078528503 -1.2803 -0.9895 2065863 ICCB6_000332 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P03 compound treatment -0.889 -0.367 -0.32 -0.873 -0.34 -0.32 -1.617 -1.148565830721 -1.1344684235602 -1.0291 -0.8411 2065864 ICCB6_000333 C1CCC(CC1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P04 compound treatment -0.976 -0.454 -0.4 -0.643 -0.11 -0.1 -1.5 -1.031565830721 -1.01890447240798 -0.8802 -0.8003 2065865 ICCB6_000334 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P05 compound treatment -1.231 -0.709 -0.63 0.095 0.628 0.6 -0.885 -0.416565830721003 -0.411452934300197 -0.2538 -0.2646 2065866 ICCB6_000335 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P06 compound treatment -1.095 -0.573 -0.51 -0.871 -0.338 -0.32 -1.639 -1.170565830721 -1.15619839728113 -1.1457 -0.8795 2065867 ICCB6_000336 CCCCOc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P07 compound treatment -1.06 -0.538 -0.48 -0.825 -0.292 -0.28 -1.049 -0.580565830721003 -0.57344001112894 -0.766 -0.9636 2065868 ICCB6_000337 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P08 compound treatment -0.943 -0.421 -0.37 -0.759 -0.226 -0.22 -1.263 -0.794565830721003 -0.784813391868886 -0.7921 -0.8853 2065869 ICCB6_000338 C[C@H](Cc1ccccc1)N(C)CC#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P09 compound treatment -0.5 0.0224 0.02 -1.814 -1.28 -1.22 -0.242 0.226434169278997 0.223654933997863 -0.564 -0.4545 2065870 ICCB6_000339 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P10 compound treatment -1.136 -0.614 -0.54 -1.0 -0.467 -0.44 -1.146 -0.677565830721003 -0.669249440716673 -0.9564 -0.9864 2065871 ICCB6_000340 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P11 compound treatment 0.059 0.581 0.51 -1.304 -0.771 -0.73 -1.48 -1.011565830721 -0.999149950843504 -0.7041 -0.5245 2065872 ICCB6_000341 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P12 compound treatment -1.584 -1.06 -0.94 -1.538 -1.0 -0.96 -1.964 -1.495565830721 -1.47720937270394 -1.9475 -0.9762 2065873 ICCB6_000342 CCOC(OCC)C#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P13 compound treatment -0.529 -0.00655 -0.01 -0.99 -0.457 -0.44 -0.809 -0.340565830721003 -0.33638575235517 -0.4489 -0.8159 2065874 ICCB6_000343 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P14 compound treatment -1.647 -1.12 -0.99 -1.338 -0.805 -0.77 -1.878 -1.409565830721 -1.39226492997667 -1.8206 -0.9711 2065875 ICCB6_000344 Brc1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P15 compound treatment -0.83 -0.308 -0.27 -0.815 -0.282 -0.27 -0.985 -0.516565830721003 -0.510225542122602 -0.6066 -0.9516 1952804 ICCB6_000345 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P16 compound treatment -1.562 -1.04 -0.92 -1.634 -1.1 -1.05 -1.174 -0.705565830721003 -0.696905770906946 -1.5385 -0.9869 2065876 ICCB6_000346 CCOC(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P17 compound treatment -0.973 -0.451 -0.4 -1.303 -0.77 -0.73 -0.837 -0.368565830721003 -0.364042082545443 -0.8636 -0.9484 1952838 ICCB6_000347 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P18 compound treatment -2.046 -1.52 -1.35 -1.419 -0.886 -0.84 -1.756 -1.287565830721 -1.27176234843334 -1.9992 -0.9821 2065877 ICCB6_000348 O=C(/C=C\1/C(=O)Nc2ccccc12)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P19 compound treatment -0.773 -0.251 -0.22 -1.419 -0.886 -0.84 -1.064 -0.595565830721003 -0.588255902302301 -0.9548 -0.9073 1952634 ICCB6_000349 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P20 compound treatment -0.369 0.153 0.14 -1.214 -0.681 -0.65 -1.065 -0.596565830721003 -0.589243628380525 -0.6364 -0.7176 2065878 ICCB6_000350 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P21 compound treatment -1.223 -0.701 -0.62 -1.826 -1.29 -1.23 -1.882 -1.413565830721 -1.39621583428957 -1.8748 -0.9555 1952770 ICCB6_000351 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P22 compound treatment -1.833 -1.31 -1.16 -1.698 -1.16 -1.11 -1.143 -0.674565830721003 -0.666286262482001 -1.6944 -0.9753 2065879 ICCB6_000352 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P23 mock treatment -0.045 0.477 0.42 -1.013 -0.48 -0.46 -0.714 -0.245565830721003 -0.242551774923886 -0.1603 -0.24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.1463 P24 mock treatment -0.981 -0.459 -0.41 -2.088 -1.55 -1.48 -1.083 -0.614565830721003 -0.607022697788558 -1.4398 -0.8718 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A01 mock treatment -0.416 0.106 0.09 -0.262 0.271 0.26 -0.241 0.227434169278997 0.224642660076087 0.3331 0.9385 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A02 mock treatment -0.548 -0.0256 -0.02 -0.741 -0.208 -0.2 -0.623 -0.154565830721003 -0.152668701805498 -0.2156 -0.8584 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A03 compound treatment -1.5 -0.978 -0.86 -0.831 -0.298 -0.28 -0.853 -0.384565830721003 -0.379845699797028 -0.8822 -0.8949 3000673 BCB01_000001 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A04 compound treatment -1.358 -0.836 -0.74 -1.312 -0.779 -0.74 -0.897 -0.428565830721003 -0.423305647238886 -1.0993 -0.9734 3000674 BCB01_000002 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A05 compound treatment -1.429 -0.907 -0.8 -1.462 -0.929 -0.88 -1.047 -0.578565830721003 -0.571464558972492 -1.3036 -0.9848 3000675 BCB01_000003 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A06 compound treatment -1.714 -1.19 -1.05 -1.183 -0.65 -0.62 -1.442 -0.973565830721003 -0.96161635987099 -1.5209 -0.9781 3000676 BCB01_000004 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A07 compound treatment -1.872 -1.35 -1.19 -1.897 -1.36 -1.3 -1.739 -1.270565830721 -1.25497100510353 -2.1636 -0.9994 3093034 BCB01_000005 COc1cc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A08 compound treatment -1.483 -0.961 -0.85 -1.704 -1.17 -1.12 -1.712 -1.243565830721 -1.22830240099148 -1.8435 -0.989 3000677 BCB01_000006 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A09 compound treatment -1.852 -1.33 -1.18 -1.19 -0.657 -0.63 -1.576 -1.107565830721 -1.09397165435301 -1.6716 -0.9699 3093035 BCB01_000007 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A10 compound treatment -1.119 -0.597 -0.53 -1.163 -0.63 -0.6 -0.892 -0.423565830721003 -0.418367016847766 -0.8925 -0.9897 3000678 BCB01_000008 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A11 compound treatment -2.152 -1.63 -1.44 -1.759 -1.23 -1.17 -1.957 -1.488565830721 -1.47029529015637 -2.3549 -0.995 3093104 BCB01_000009 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A12 compound treatment -1.443 -0.921 -0.81 -1.4 -0.867 -0.83 -1.254 -0.785565830721003 -0.77592385716487 -1.3947 -0.9997 3093105 BCB01_000010 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A13 compound treatment -1.621 -1.1 -0.97 -1.075 -0.542 -0.52 -0.905 -0.436565830721003 -0.431207455864678 -1.1078 -0.9377 3000679 BCB01_000011 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A14 compound treatment -2.024 -1.5 -1.33 -2.029 -1.5 -1.43 -1.52 -1.051565830721 -1.03865899397247 -2.1889 -0.9917 3093106 BCB01_000012 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A15 compound treatment -2.097 -1.57 -1.39 -1.55 -1.02 -0.97 -1.349 -0.880565830721003 -0.869757834596154 -1.8652 -0.9786 3093107 BCB01_000013 CCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A16 compound treatment -1.667 -1.14 -1.01 -1.538 -1.0 -0.96 -1.148 -0.679565830721003 -0.671224892873121 -1.5245 -0.9859 3000680 BCB01_000014 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A17 compound treatment -1.037 -0.515 -0.45 -0.871 -0.338 -0.32 -0.571 -0.102565830721003 -0.101306945737847 -0.507 -0.8951 3093108 BCB01_000015 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C)C3=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A18 compound treatment -1.094 -0.572 -0.51 -0.882 -0.349 -0.33 -1.275 -0.806565830721003 -0.796666104807574 -0.9436 -0.9434 3093109 BCB01_000016 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A19 compound treatment -1.456 -0.934 -0.83 -1.327 -0.794 -0.76 -1.159 -0.690565830721003 -0.682089879733585 -1.307 -0.997 3000681 BCB01_000017 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C)C3=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A20 compound treatment -0.862 -0.34 -0.3 -0.839 -0.306 -0.29 -1.16 -0.691565830721003 -0.683077605811809 -0.736 -0.9188 3093110 BCB01_000018 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A21 compound treatment -1.737 -1.21 -1.07 -1.937 -1.4 -1.34 -1.549 -1.080565830721 -1.06730305024096 -2.0084 -0.9942 3000682 BCB01_000019 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A22 compound treatment -1.149 -0.627 -0.55 -1.309 -0.776 -0.74 -1.0 -0.531565830721003 -0.525041433295962 -1.0497 -0.988 3093111 BCB01_000020 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A23 mock treatment -0.437 0.0854 0.08 -1.045 -0.512 -0.49 -0.708 -0.239565830721003 -0.236625418454541 -0.3746 -0.6844 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 A24 mock treatment -0.581 -0.0586 -0.05 -0.215 0.318 0.3 -0.7 -0.231565830721003 -0.228723609828749 0.013 0.0339 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B01 mock treatment -1.087 -0.565 -0.5 -1.132 -0.599 -0.57 -0.969 -0.500565830721003 -0.494421924871017 -0.9031 -0.9978 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B02 mock treatment -1.62 -1.1 -0.97 -1.234 -0.701 -0.67 -1.58 -1.111565830721 -1.09792255866591 -1.5796 -0.981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B03 compound treatment -0.474 0.0484 0.04 -0.619 -0.086 -0.08 -0.784 -0.315565830721003 -0.311692600399569 -0.2025 -0.6229 3093112 BCB01_000021 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B04 compound treatment -0.787 -0.265 -0.23 -0.882 -0.349 -0.33 -0.741 -0.272565830721003 -0.269220379035935 -0.4824 -0.9895 3000683 BCB01_000022 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B05 compound treatment -1.373 -0.851 -0.75 -1.559 -1.03 -0.98 -1.39 -0.921565830721003 -0.910254603803339 -1.524 -0.9943 3093113 BCB01_000023 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B06 compound treatment -1.712 -1.19 -1.05 -0.81 -0.277 -0.26 -1.5 -1.031565830721 -1.01890447240798 -1.3478 -0.9058 3093114 BCB01_000024 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B07 compound treatment -1.797 -1.27 -1.13 -1.857 -1.32 -1.26 -1.952 -1.483565830721 -1.46535665976525 -2.2248 -0.9942 3000684 BCB01_000025 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B08 compound treatment -1.348 -0.826 -0.73 -1.439 -0.906 -0.86 -1.529 -1.060565830721 -1.04754852867648 -1.5245 -0.9892 3093115 BCB01_000026 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B09 compound treatment -1.247 -0.725 -0.64 -1.323 -0.79 -0.75 -1.371 -0.902565830721003 -0.891487808317083 -1.319 -0.991 3093116 BCB01_000027 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B10 compound treatment -2.0 -1.48 -1.31 -1.547 -1.01 -0.97 -1.6 -1.131565830721 -1.11767708023039 -1.9572 -0.9925 3000685 BCB01_000028 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B11 compound treatment -2.0 -1.48 -1.31 -2.149 -1.62 -1.54 -2.4 -1.931565830721 -1.90785794280962 -2.7445 -0.988 3093117 BCB01_000029 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(C)cc(C)cc4C)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B12 compound treatment -1.364 -0.842 -0.74 -1.46 -0.927 -0.88 -1.928 -1.459565830721 -1.44165123388788 -1.7717 -0.9592 3093118 BCB01_000030 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B13 compound treatment -1.962 -1.44 -1.27 -1.742 -1.21 -1.15 -1.544 -1.075565830721 -1.06236441984984 -2.0131 -0.9973 3000686 BCB01_000031 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4C)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B14 compound treatment -1.195 -0.673 -0.59 -0.875 -0.342 -0.33 -0.511 -0.042565830721003 -0.0420433810444048 -0.5556 -0.818 3093119 BCB01_000032 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B15 compound treatment -0.613 -0.0906 -0.08 -0.663 -0.13 -0.12 -0.839 -0.370565830721003 -0.366017534701891 -0.329 -0.8338 3093120 BCB01_000033 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(c4ccccc4)c5ccccc5)C(=O)N(C3=O)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B16 compound treatment -1.388 -0.866 -0.77 -1.431 -0.898 -0.86 -1.776 -1.307565830721 -1.29151686999782 -1.6814 -0.9731 3000687 BCB01_000034 CCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B17 compound treatment -0.168 0.354 0.31 -1.492 -0.959 -0.91 -1.375 -0.906565830721003 -0.895438712629979 -0.8635 -0.6556 3000688 BCB01_000035 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B18 compound treatment -2.586 -2.06 -1.82 -2.831 -2.3 -2.19 -2.2 -1.731565830721 -1.71031272716482 -3.3047 -0.9943 3093121 BCB01_000036 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B19 compound treatment -1.5 -0.978 -0.86 -1.426 -0.893 -0.85 -1.61 -1.141565830721 -1.12755434101263 -1.6411 -0.9911 3093122 BCB01_000037 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B20 compound treatment -1.629 -1.11 -0.98 -1.441 -0.908 -0.86 -1.491 -1.022565830721 -1.01001493770397 -1.6473 -0.9979 3093123 BCB01_000038 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B21 compound treatment -1.473 -0.951 -0.84 -1.409 -0.876 -0.83 -1.776 -1.307565830721 -1.29151686999782 -1.7126 -0.9774 3000689 BCB01_000039 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B22 compound treatment -1.603 -1.08 -0.96 -1.804 -1.27 -1.21 -1.884 -1.415565830721 -1.39819128644602 -2.0578 -0.9885 3093124 BCB01_000040 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B23 mock treatment -0.472 0.0504 0.04 -0.829 -0.296 -0.28 -0.687 -0.218565830721003 -0.215883170811837 -0.2617 -0.7311 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 B24 mock treatment -0.754 -0.232 -0.2 -1.012 -0.479 -0.46 -0.976 -0.507565830721003 -0.501336007418585 -0.6711 -0.9477 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C01 mock treatment -1.17 -0.648 -0.57 1.226 1.76 1.51 -1.39 -0.921565830721003 -0.910254603803339 0.0171 0.0092 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C02 mock treatment -1.224 -0.702 -0.62 -1.219 -0.686 -0.65 -0.717 -0.248565830721003 -0.245514953158558 -0.8771 -0.9393 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C03 compound treatment -0.901 -0.379 -0.33 -1.205 -0.672 -0.64 -1.443 -0.974565830721003 -0.962604085949214 -1.1186 -0.9294 3000690 BCB01_000041 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C)C3=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C04 compound treatment -1.435 -0.913 -0.81 -1.312 -0.779 -0.74 -1.814 -1.345565830721 -1.32905046097033 -1.6616 -0.9645 3093125 BCB01_000042 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C05 compound treatment -1.875 -1.35 -1.2 -1.222 -0.689 -0.66 -0.705 -0.236565830721003 -0.233662240219869 -1.2042 -0.8701 3093282 BCB01_000043 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C)C3=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C06 compound treatment -1.333 -0.811 -0.72 -1.456 -0.923 -0.88 -1.129 -0.660565830721003 -0.652458097386864 -1.2981 -0.992 3000691 BCB01_000044 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C07 compound treatment -0.389 0.133 0.12 -0.054 0.479 0.46 -0.009 0.459434169278997 0.453795110224065 0.5936 0.9072 3093194 BCB01_000045 COc1cc(NN2C3C(C=CC2C(O)C4CCC(CC4)C(=C)C)C(=O)N(C)C3=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C08 compound treatment -1.563 -1.04 -0.92 -1.894 -1.36 -1.3 -1.198 -0.729565830721003 -0.720611196784323 -1.6957 -0.9715 3093195 BCB01_000046 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C09 compound treatment -1.026 -0.504 -0.45 -1.072 -0.539 -0.51 -0.761 -0.292565830721003 -0.288974900600416 -0.7203 -0.9754 3000692 BCB01_000047 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C)C3=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C10 compound treatment -1.389 -0.867 -0.77 -1.836 -1.3 -1.24 -1.507 -1.038565830721 -1.02581855495555 -1.7512 -0.982 3093196 BCB01_000048 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C11 compound treatment -2.0 -1.48 -1.31 -2.46 -1.93 -1.84 -1.856 -1.387565830721 -1.37053495625574 -2.6053 -0.9879 3093197 BCB01_000049 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C12 compound treatment -1.303 -0.781 -0.69 -1.964 -1.43 -1.36 -1.707 -1.238565830721 -1.22336377060036 -1.8918 -0.9665 3000693 BCB01_000050 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C13 compound treatment -0.329 0.193 0.17 -0.43 0.103 0.1 -1.671 -1.202565830721 -1.1878056317843 -0.5304 -0.4405 3093198 BCB01_000051 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C14 compound treatment -0.775 -0.253 -0.22 -0.451 0.082 0.08 -0.453 0.015434169278997 0.0152447314925897 -0.075 -0.3163 3000694 BCB01_000052 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C15 compound treatment -0.975 -0.453 -0.4 -1.071 -0.538 -0.51 -0.937 -0.468565830721003 -0.462814690367848 -0.7941 -0.995 3093199 BCB01_000053 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C16 compound treatment -1.567 -1.04 -0.92 -1.494 -0.961 -0.92 -1.759 -1.290565830721 -1.27472552666801 -1.7977 -0.9872 3093200 BCB01_000054 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C17 compound treatment -1.255 -0.733 -0.65 -1.0 -0.467 -0.44 -0.714 -0.245565830721003 -0.242551774923886 -0.7708 -0.9374 3000695 BCB01_000055 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C18 compound treatment -0.844 -0.322 -0.28 -1.091 -0.558 -0.53 -1.167 -0.698565830721003 -0.689991688359378 -0.8694 -0.9489 3093201 BCB01_000056 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C19 compound treatment -0.492 0.0304 0.03 -0.197 0.336 0.32 -0.043 0.425434169278997 0.420212423564448 0.443 0.8375 3093202 BCB01_000057 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C20 compound treatment -0.59 -0.0676 -0.06 -1.303 -0.77 -0.73 -1.036 -0.567565830721003 -0.560599572112028 -0.7816 -0.8449 3000696 BCB01_000058 COc1ccc(cc1)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C21 compound treatment -1.512 -0.99 -0.87 -1.659 -1.13 -1.07 -1.363 -0.894565830721003 -0.88358599969129 -1.6345 -0.9954 3093203 BCB01_000059 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C22 compound treatment -0.614 -0.0916 -0.08 -0.943 -0.41 -0.39 -0.905 -0.436565830721003 -0.431207455864678 -0.5212 -0.8873 3093204 BCB01_000060 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C23 mock treatment -0.52 0.00245 0.0 -0.754 -0.221 -0.21 -0.05 0.418434169278997 0.41329834101688 0.1183 0.2551 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 C24 mock treatment -0.364 0.158 0.14 -0.855 -0.322 -0.31 -0.394 0.074434169278997 0.0735205701078083 -0.0538 -0.1558 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D01 mock treatment -0.559 -0.0366 -0.03 -0.696 -0.163 -0.16 -0.707 -0.238565830721003 -0.235637692376317 -0.2443 -0.8603 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D02 mock treatment -0.571 -0.0486 -0.04 -0.637 -0.104 -0.1 -0.771 -0.302565830721003 -0.298852161382656 -0.2545 -0.801 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D03 compound treatment -1.196 -0.674 -0.6 -1.288 -0.755 -0.72 -1.333 -0.864565830721003 -0.853954217344569 -1.2521 -0.9895 3000697 BCB01_000061 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccc(O)c4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D04 compound treatment -1.954 -1.43 -1.27 -1.949 -1.42 -1.35 -1.072 -0.603565830721003 -0.596157710928094 -1.8537 -0.9538 3093205 BCB01_000062 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D05 compound treatment -1.392 -0.87 -0.77 -1.671 -1.14 -1.08 -1.209 -0.740565830721003 -0.731476183644788 -1.4921 -0.9836 3093206 BCB01_000063 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)B(O)O)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D06 compound treatment -1.2 -0.678 -0.6 -1.055 -0.522 -0.5 -0.81 -0.341565830721003 -0.337373478433394 -0.8277 -0.9755 3000698 BCB01_000064 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D07 compound treatment -0.906 -0.384 -0.34 -1.845 -1.31 -1.25 -1.444 -0.975565830721003 -0.963591812027438 -1.4737 -0.913 3093207 BCB01_000065 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cn(C(=O)C)c5ccccc45)C(=O)N(C3=O)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D08 compound treatment -0.446 0.0764 0.07 -1.07 -0.537 -0.51 -0.83 -0.361565830721003 -0.357127999997875 -0.4625 -0.737 3000792 BCB01_000066 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D09 compound treatment -0.91 -0.388 -0.34 -1.535 -1.0 -0.95 -1.594 -1.125565830721 -1.11175072376104 -1.3908 -0.9242 3000794 BCB01_000067 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(C)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D10 compound treatment -2.117 -1.59 -1.41 -2.0 -1.47 -1.4 -1.373 -0.904565830721003 -0.893463260473531 -2.1366 -0.9815 3000796 BCB01_000068 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D11 compound treatment -0.776 -0.254 -0.22 -1.141 -0.608 -0.58 -1.081 -0.612565830721003 -0.60504724563211 -0.8131 -0.9378 3000797 BCB01_000069 CC(C)c1ccc(NN2C3C(C=CC2C(O)CC(C)c4ccc(C)o4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D12 compound treatment -1.095 -0.573 -0.51 -2.774 -2.24 -2.13 -1.5 -1.031565830721 -1.01890447240798 -2.1131 -0.8735 3093208 BCB01_000070 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4c(F)cccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D13 compound treatment -0.557 -0.0346 -0.03 -1.42 -0.887 -0.84 -0.895 -0.426565830721003 -0.421330195082438 -0.7487 -0.7926 3093209 BCB01_000071 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccs4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D14 compound treatment -1.151 -0.629 -0.56 -1.063 -0.53 -0.5 -0.969 -0.500565830721003 -0.494421924871017 -0.8978 -0.9987 3000798 BCB01_000072 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D15 compound treatment -0.97 -0.448 -0.4 -1.083 -0.55 -0.52 -1.099 -0.630565830721003 -0.622826315040143 -0.8905 -0.984 3093210 BCB01_000073 CC(C)c1ccc(NN2C3C(C=CC2C(O)Cc4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D16 compound treatment -1.738 -1.22 -1.07 -1.787 -1.25 -1.19 -0.841 -0.372565830721003 -0.367992986858339 -1.5226 -0.9237 3000800 BCB01_000074 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D17 compound treatment -0.868 -0.346 -0.31 -1.589 -1.06 -1.01 -1.155 -0.686565830721003 -0.678138975420689 -1.1487 -0.9182 3093211 BCB01_000075 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D18 compound treatment -1.241 -0.719 -0.64 -1.0 -0.467 -0.44 -1.241 -0.772565830721003 -0.763083418147957 -1.0642 -0.9781 3000876 BCB01_000076 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D19 compound treatment -0.965 -0.443 -0.39 -1.078 -0.545 -0.52 -0.912 -0.443565830721003 -0.438121538412247 -0.7786 -0.9932 3000877 BCB01_000077 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc5OCOc5c4)C(=O)N(C3=O)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D20 compound treatment -0.772 -0.25 -0.22 -1.037 -0.504 -0.48 -1.161 -0.692565830721003 -0.684065331890033 -0.7995 -0.925 3000878 BCB01_000078 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D21 compound treatment -0.729 -0.207 -0.18 -1.268 -0.735 -0.7 -1.254 -0.785565830721003 -0.77592385716487 -0.9576 -0.9026 3000880 BCB01_000079 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4=C[C@H]5C[C@@H](C4)C5(C)C)C(=O)N(C3=O)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D22 compound treatment -0.564 -0.0416 -0.04 -0.864 -0.331 -0.32 -0.53 -0.061565830721003 -0.0608101765306617 -0.2383 -0.7375 3093212 BCB01_000080 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D23 mock treatment -0.306 0.216 0.19 -0.699 -0.166 -0.16 -0.613 -0.144565830721003 -0.142791441023257 -0.0632 -0.2208 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 D24 mock treatment -0.222 0.3 0.27 -1.281 -0.748 -0.71 -0.684 -0.215565830721003 -0.212919992577165 -0.381 -0.4824 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E01 mock treatment -0.429 0.0934 0.08 -0.443 0.09 0.09 -0.606 -0.137565830721003 -0.135877358475689 0.0188 0.1039 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E02 mock treatment -0.855 -0.333 -0.29 -1.088 -0.555 -0.53 -0.444 0.024434169278997 0.0241342661966061 -0.461 -0.7615 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E03 compound treatment -1.048 -0.526 -0.46 -0.94 -0.407 -0.39 -0.848 -0.379565830721003 -0.374907069405908 -0.7085 -0.9953 3000882 BCB01_000081 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E04 compound treatment -1.028 -0.506 -0.45 -1.185 -0.652 -0.62 -0.912 -0.443565830721003 -0.438121538412247 -0.8696 -0.9862 3093213 BCB01_000082 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E05 compound treatment -0.942 -0.42 -0.37 -0.418 0.115 0.11 -0.323 0.145434169278997 0.143649121661715 -0.0679 -0.1647 3093214 BCB01_000083 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E06 compound treatment -1.446 -0.924 -0.82 -0.926 -0.393 -0.37 -1.209 -0.740565830721003 -0.731476183644788 -1.1099 -0.9581 3000884 BCB01_000084 CN1C(=O)C2C=CC(C(O)C3CCC(CC3)C(=C)C)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E07 compound treatment 0.227 0.749 0.66 -0.049 0.484 0.46 -0.021 0.447434169278997 0.441942397285377 0.9039 0.9822 3093215 BCB01_000085 CN1C(=O)C2C=CC(C(O)c3ccco3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E08 compound treatment -1.216 -0.694 -0.61 -1.094 -0.561 -0.53 -1.098 -0.629565830721003 -0.621838588961919 -1.0216 -0.9978 3093216 BCB01_000086 CCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E09 compound treatment -1.593 -1.07 -0.95 -1.556 -1.02 -0.97 -1.27 -0.801565830721003 -0.791727474416454 -1.5662 -0.9961 3000885 BCB01_000087 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E10 compound treatment -2.38 -1.86 -1.64 -2.362 -1.83 -1.74 -2.0 -1.531565830721 -1.51276751152001 -2.8275 -0.9983 3093283 BCB01_000088 CCCCCCCCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E11 compound treatment -2.551 -2.03 -1.79 -2.683 -2.15 -2.05 -2.155 -1.686565830721 -1.66586505364473 -3.1797 -0.9963 3093284 BCB01_000089 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E12 compound treatment -1.633 -1.11 -0.98 -1.568 -1.03 -0.99 -1.463 -0.994565830721003 -0.982358607513695 -1.7033 -1.0 3000886 BCB01_000090 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E13 compound treatment -0.957 -0.435 -0.38 -1.348 -0.815 -0.78 -1.246 -0.777565830721003 -0.768022048539077 -1.1135 -0.9618 3093285 BCB01_000091 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E14 compound treatment -1.63 -1.11 -0.98 -1.901 -1.37 -1.3 -1.462 -0.993565830721003 -0.981370881435471 -1.8843 -0.9904 3093286 BCB01_000092 COc1ccc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c5ccccc15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E15 compound treatment -1.43 -0.908 -0.8 -1.556 -1.02 -0.97 -1.5 -1.031565830721 -1.01890447240798 -1.6142 -0.995 3000889 BCB01_000093 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E16 compound treatment -1.431 -0.909 -0.8 -1.234 -0.701 -0.67 -0.868 -0.399565830721003 -0.394661590970389 -1.0771 -0.9646 3093287 BCB01_000094 COc1cc(Br)cc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E17 compound treatment -1.122 -0.6 -0.53 -1.069 -0.536 -0.51 -0.984 -0.515565830721003 -0.509237816044378 -0.8948 -0.9998 3093288 BCB01_000095 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E18 compound treatment -2.033 -1.51 -1.34 -1.398 -0.865 -0.82 -1.674 -1.205565830721 -1.19076881001897 -1.9343 -0.9819 3000890 BCB01_000096 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3N5CCCCC5)C(=O)N(C)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E19 compound treatment -0.846 -0.324 -0.29 -1.047 -0.514 -0.49 -0.756 -0.287565830721003 -0.284036270209296 -0.6118 -0.9647 3093289 BCB01_000097 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E20 compound treatment -0.86 -0.338 -0.3 -0.837 -0.304 -0.29 -1.019 -0.550565830721003 -0.543808228782219 -0.6534 -0.9545 3093290 BCB01_000098 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E21 compound treatment -0.635 -0.113 -0.1 -1.222 -0.689 -0.66 -0.569 -0.100565830721003 -0.0993314935813993 -0.4937 -0.7356 3000891 BCB01_000099 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E22 compound treatment -1.66 -1.14 -1.01 -1.895 -1.36 -1.3 -1.622 -1.153565830721 -1.13940705395132 -1.9876 -0.9946 3093291 BCB01_000100 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E23 mock treatment -0.404 0.118 0.1 -0.527 0.00605 0.01 -0.46 0.00843416927899698 0.0083306489450214 0.0686 0.652 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 E24 mock treatment -0.351 0.171 0.15 -0.279 0.254 0.24 -0.148 0.320434169278997 0.316501185350923 0.41 0.9617 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F01 mock treatment -0.949 -0.427 -0.38 -0.851 -0.318 -0.3 -0.7 -0.231565830721003 -0.228723609828749 -0.5247 -0.9806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F02 mock treatment -0.775 -0.253 -0.22 -1.0 -0.467 -0.44 -0.596 -0.127565830721003 -0.126000097693449 -0.4585 -0.893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F03 compound treatment -1.292 -0.77 -0.68 -1.507 -0.974 -0.93 -1.22 -0.751565830721003 -0.742341170505252 -1.3571 -0.9911 3093292 BCB01_000101 CC(C)c1ccc(NN2C3C(C=CC2C(O)/C=C(\C)/CCC=C(C)C)C(=O)N(C3=O)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F04 compound treatment -0.985 -0.463 -0.41 -0.589 -0.056 -0.05 -1.093 -0.624565830721003 -0.616899958570798 -0.623 -0.8396 3000892 BCB01_000102 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F05 compound treatment -0.142 0.38 0.34 -1.075 -0.542 -0.52 -1.1 -0.631565830721003 -0.623814041118367 -0.464 -0.5292 3093293 BCB01_000103 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F06 compound treatment -1.794 -1.27 -1.12 -1.892 -1.36 -1.29 -1.923 -1.454565830721 -1.43671260349676 -2.226 -0.9951 3000894 BCB01_000104 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F07 compound treatment -1.236 -0.714 -0.63 -1.271 -0.738 -0.7 -1.741 -1.272565830721 -1.25694645725998 -1.4958 -0.9514 3093294 BCB01_000105 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F08 compound treatment -0.156 0.366 0.32 -0.135 0.398 0.38 -0.017 0.451434169278997 0.445893301598273 0.6634 0.9916 3093295 BCB01_000106 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F09 compound treatment -1.475 -0.953 -0.84 -1.215 -0.682 -0.65 -1.544 -1.075565830721 -1.06236441984984 -1.4747 -0.9809 3000896 BCB01_000107 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F10 compound treatment -1.629 -1.11 -0.98 -1.82 -1.29 -1.23 -1.742 -1.273565830721 -1.2579341833382 -1.9989 -0.9942 3093296 BCB01_000108 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F11 compound treatment -1.247 -0.725 -0.64 -1.463 -0.93 -0.89 -1.603 -1.134565830721 -1.12064025846506 -1.5283 -0.9762 3093297 BCB01_000109 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)C(=O)C)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F12 compound treatment -1.633 -1.11 -0.98 -1.494 -0.961 -0.92 -1.432 -0.963565830721003 -0.951739099088749 -1.6449 -0.9996 3000898 BCB01_000110 CC(C)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F13 compound treatment -2.687 -2.16 -1.91 -2.484 -1.95 -1.86 -2.053 -1.584565830721 -1.56511699366588 -3.0815 -0.9963 3000979 BCB01_000111 CCCCCCCCCCC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F14 compound treatment -1.564 -1.04 -0.92 -1.849 -1.32 -1.25 -1.543 -1.074565830721 -1.06137669377162 -1.8682 -0.9921 3000980 BCB01_000112 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc(O)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F15 compound treatment -1.174 -0.652 -0.58 -1.342 -0.809 -0.77 -1.446 -0.977565830721003 -0.965567264183886 -1.335 -0.9794 3000981 BCB01_000113 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F16 compound treatment -1.386 -0.864 -0.76 -1.342 -0.809 -0.77 -1.111 -0.642565830721003 -0.634679027978831 -1.2522 -0.9963 3000982 BCB01_000114 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F17 compound treatment -1.439 -0.917 -0.81 -1.143 -0.61 -0.58 -1.317 -0.848565830721003 -0.838150600092984 -1.2872 -0.9882 3000984 BCB01_000115 COc1ccc(C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O)c4ccccc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F18 compound treatment -1.263 -0.741 -0.65 -1.406 -0.873 -0.83 -1.077 -0.608565830721003 -0.601096341319214 -1.2052 -0.9901 3093298 BCB01_000116 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F19 compound treatment -1.387 -0.865 -0.76 -1.458 -0.925 -0.88 -1.163 -0.694565830721003 -0.686040784046482 -1.3461 -0.9947 3093299 BCB01_000117 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F20 compound treatment -1.25 -0.728 -0.64 -1.176 -0.643 -0.61 -0.823 -0.354565830721003 -0.350213917450307 -0.9272 -0.9711 3000987 BCB01_000118 CC(=O)N1CC(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F21 compound treatment -1.444 -0.922 -0.81 -1.209 -0.676 -0.64 -0.719 -0.250565830721003 -0.247490405315006 -0.9851 -0.9227 3093300 BCB01_000119 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F22 compound treatment -1.25 -0.728 -0.64 -1.18 -0.647 -0.62 -1.224 -0.755565830721003 -0.746292074818148 -1.1581 -0.9965 3093301 BCB01_000120 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F23 mock treatment -0.552 -0.0296 -0.03 -0.64 -0.107 -0.1 -0.312 0.156434169278997 0.15451410852218 0.0153 0.0818 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 F24 mock treatment -0.609 -0.0866 -0.08 -0.854 -0.321 -0.31 -0.837 -0.368565830721003 -0.364042082545443 -0.4309 -0.8948 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G01 mock treatment -0.314 0.208 0.18 0.418 0.951 0.91 -0.575 -0.106565830721003 -0.105257850050744 0.5687 0.6112 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G02 mock treatment -0.532 -0.00955 -0.01 -0.459 0.074 0.07 -0.337 0.131434169278997 0.129820956566579 0.1108 0.7487 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G03 compound treatment -1.972 -1.45 -1.28 -1.894 -1.36 -1.3 -1.786 -1.317565830721 -1.30139413078006 -2.2398 -1.0 3000990 BCB01_000121 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G04 compound treatment -1.493 -0.971 -0.86 -1.5 -0.967 -0.92 -1.712 -1.243565830721 -1.22830240099148 -1.7364 -0.9872 3093302 BCB01_000122 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G05 compound treatment -0.926 -0.404 -0.36 -0.803 -0.27 -0.26 -0.309 0.159434169278997 0.157477286756852 -0.2635 -0.5642 3093303 BCB01_000123 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G06 compound treatment -0.948 -0.426 -0.38 -0.97 -0.437 -0.42 -0.974 -0.505565830721003 -0.499360555262137 -0.7459 -0.993 3000991 BCB01_000124 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G07 compound treatment -0.425 0.0974 0.09 -0.52 0.013 0.01 0.139 0.607434169278997 0.599978569801224 0.4033 0.6652 3093304 BCB01_000125 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G08 compound treatment 0.21 0.732 0.65 -1.257 -0.724 -0.69 -0.852 -0.383565830721003 -0.378857973718804 -0.2431 -0.2385 3000992 BCB01_000126 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G09 compound treatment -0.976 -0.454 -0.4 -1.214 -0.681 -0.65 -0.791 -0.322565830721003 -0.318606682947137 -0.79 -0.9558 3093373 BCB01_000127 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G10 compound treatment -0.707 -0.185 -0.16 -0.875 -0.342 -0.33 -0.773 -0.304565830721003 -0.300827613539104 -0.456 -0.965 3093374 BCB01_000128 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G11 compound treatment -0.853 -0.331 -0.29 -1.062 -0.529 -0.5 -0.918 -0.449565830721003 -0.444047894881591 -0.716 -0.9776 3000993 BCB01_000129 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G12 compound treatment -0.972 -0.45 -0.4 -0.861 -0.328 -0.31 -1.075 -0.606565830721003 -0.599120889162766 -0.7557 -0.9641 3093375 BCB01_000130 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(C2C1=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G13 compound treatment -1.184 -0.662 -0.58 -0.967 -0.434 -0.41 -1.234 -0.765565830721003 -0.756169335600389 -1.0129 -0.9725 3093376 BCB01_000131 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G14 compound treatment -0.417 0.105 0.09 -0.08 0.453 0.43 -0.102 0.366434169278997 0.361936584949229 0.512 0.8967 3000994 BCB01_000132 C/C=C/C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G15 compound treatment -1.562 -1.04 -0.92 -1.211 -0.678 -0.65 -1.39 -0.921565830721003 -0.910254603803339 -1.429 -0.9884 3093377 BCB01_000133 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G16 compound treatment -1.0 -0.478 -0.42 -0.773 -0.24 -0.23 -1.138 -0.669565830721003 -0.66134763209088 -0.7576 -0.927 3000995 BCB01_000134 CCC(CC)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G17 compound treatment -1.188 -0.666 -0.59 -0.92 -0.387 -0.37 -1.052 -0.583565830721003 -0.576403189363613 -0.8853 -0.9811 3093378 BCB01_000135 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccco5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G18 compound treatment -0.75 -0.228 -0.2 -0.729 -0.196 -0.19 -0.74 -0.271565830721003 -0.268232652957711 -0.3788 -0.9871 3000996 BCB01_000136 CC(C)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G19 compound treatment -0.015 0.507 0.45 1.2 1.73 1.51 -0.304 0.164434169278997 0.162415917147972 1.2228 0.7736 3093379 BCB01_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G20 compound treatment -0.789 -0.267 -0.24 -1.296 -0.763 -0.73 -0.826 -0.357565830721003 -0.353177095684979 -0.7596 -0.9024 3093380 BCB01_000138 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G21 compound treatment -1.118 -0.596 -0.53 -1.388 -0.855 -0.81 -0.916 -0.447565830721003 -0.442072442725143 -1.0295 -0.9659 3000997 BCB01_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G22 compound treatment -1.598 -1.08 -0.95 -1.75 -1.22 -1.16 -1.375 -0.906565830721003 -0.895438712629979 -1.7353 -0.9936 3093381 BCB01_000140 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G23 mock treatment -0.404 0.118 0.1 -0.387 0.146 0.14 -0.219 0.249434169278997 0.246372633797016 0.283 0.9381 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 G24 mock treatment -0.264 0.258 0.23 -0.415 0.118 0.11 -0.584 -0.115565830721003 -0.11414738475476 0.1309 0.4692 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H01 mock treatment -0.69 -0.168 -0.15 -0.631 -0.098 -0.09 -0.766 -0.297565830721003 -0.293913530991536 -0.3091 -0.9035 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H02 mock treatment 0.882 1.4 1.24 -0.462 0.071 0.07 0.535 1.003434169279 0.991118096777945 1.3282 0.8352 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H03 compound treatment -1.305 -0.783 -0.69 -1.889 -1.36 -1.29 -1.231 -0.762565830721003 -0.753206157365717 -1.5801 -0.959 3000998 BCB01_000141 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H04 compound treatment -0.307 0.215 0.19 -1.484 -0.951 -0.91 -0.816 -0.347565830721003 -0.343299834902738 -0.6113 -0.6191 3093382 BCB01_000142 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H05 compound treatment -0.424 0.0984 0.09 -1.153 -0.62 -0.59 -0.141 0.327434169278997 0.323415267898492 -0.104 -0.1532 3093383 BCB01_000143 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H06 compound treatment -0.927 -0.405 -0.36 -1.452 -0.919 -0.88 0.135 0.603434169278997 0.596027665488328 -0.3678 -0.329 3000999 BCB01_000144 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(C#N)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H07 compound treatment -0.58 -0.0576 -0.05 0.154 0.687 0.65 0.139 0.607434169278997 0.599978569801224 0.6949 0.7814 3093384 BCB01_000145 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H08 compound treatment -0.368 0.154 0.14 -0.748 -0.215 -0.2 -0.222 0.246434169278997 0.243409455562344 0.1011 0.2922 3093385 BCB01_000146 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H09 compound treatment -0.955 -0.433 -0.38 -1.494 -0.961 -0.92 -1.22 -0.751565830721003 -0.742341170505252 -1.1779 -0.9506 3001000 BCB01_000147 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H10 compound treatment -0.879 -0.357 -0.32 -1.467 -0.934 -0.89 -1.107 -0.638565830721003 -0.630728123665935 -1.0598 -0.9336 3001068 BCB01_000148 CC1(C)[C@H]2CC1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H11 compound treatment -0.621 -0.0986 -0.09 -1.264 -0.731 -0.7 -1.117 -0.648565830721003 -0.640605384448176 -0.8222 -0.8653 3001069 BCB01_000149 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H12 compound treatment -1.141 -0.619 -0.55 -2.0 -1.47 -1.4 -1.403 -0.934565830721003 -0.923095042820252 -1.6555 -0.9396 3001070 BCB01_000150 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H13 compound treatment 0.175 0.697 0.62 -0.117 0.416 0.4 -0.167 0.301434169278997 0.297734389864666 0.7567 0.9565 3001072 BCB01_000151 C/C=C/C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H14 compound treatment -1.127 -0.605 -0.53 -1.058 -0.525 -0.5 -0.829 -0.360565830721003 -0.356140273919651 -0.8029 -0.9864 3093386 BCB01_000152 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H15 compound treatment -0.808 -0.286 -0.25 -0.547 -0.014 -0.01 -0.798 -0.329565830721003 -0.325520765494706 -0.3414 -0.8282 3001073 BCB01_000153 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(NC(=O)OC(C)(C)C)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H16 compound treatment -0.897 -0.375 -0.33 -1.736 -1.2 -1.15 -0.734 -0.265565830721003 -0.262306296488367 -1.0043 -0.8222 3093387 BCB01_000154 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H17 compound treatment -0.017 0.505 0.45 -0.629 -0.096 -0.09 -0.126 0.342434169278997 0.338231159071852 0.4005 0.7053 3093388 BCB01_000155 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H18 compound treatment -0.646 -0.124 -0.11 -1.189 -0.656 -0.62 -0.693 -0.224565830721003 -0.221809527281181 -0.5519 -0.8213 3001076 BCB01_000156 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(I)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H19 compound treatment 0.517 1.04 0.92 -1.381 -0.848 -0.81 -0.765 -0.296565830721003 -0.292925804913312 -0.1049 -0.0834 3093389 BCB01_000157 CC(C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H20 compound treatment -0.133 0.389 0.34 -0.114 0.419 0.4 -0.365 0.103434169278997 0.102164626376306 0.4883 0.9093 3093390 BCB01_000158 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H21 compound treatment 0.155 0.677 0.6 -0.038 0.495 0.47 -0.115 0.353434169278997 0.349096145932317 0.8196 0.9775 3001078 BCB01_000159 CC(CC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccc(C)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H22 compound treatment -0.507 0.0154 0.01 -0.452 0.081 0.08 -0.398 0.070434169278997 0.0695696657949121 0.0926 0.8837 3093391 BCB01_000160 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H23 mock treatment -0.507 0.0154 0.01 -0.658 -0.125 -0.12 -0.519 -0.050565830721003 -0.0499451896701972 -0.0897 -0.6908 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 H24 mock treatment -0.429 0.0934 0.08 -0.531 0.00205 0.0 -0.486 -0.017565830721003 -0.0173502290888037 0.0388 0.4596 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I01 mock treatment -0.624 -0.102 -0.09 -0.224 0.309 0.29 -0.687 -0.218565830721003 -0.215883170811837 -0.0065 -0.0173 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I02 mock treatment -0.809 -0.287 -0.25 -0.853 -0.32 -0.3 -0.524 -0.055565830721003 -0.0548838200613174 -0.3539 -0.8846 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I03 compound treatment -0.913 -0.391 -0.35 -1.517 -0.984 -0.94 -0.839 -0.370565830721003 -0.366017534701891 -0.9519 -0.8947 3001079 BCB01_000161 CN1C(=O)C2C=CC(C(O)c3cccc(O)c3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I04 compound treatment -1.177 -0.655 -0.58 -0.942 -0.409 -0.39 -0.929 -0.460565830721003 -0.454912881742055 -0.8217 -0.9866 3093392 BCB01_000162 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I05 compound treatment -0.268 0.254 0.22 0.415 0.948 0.9 0.373 0.841434169278997 0.83110647210565 1.1312 0.9065 3093393 BCB01_000163 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I06 compound treatment -1.712 -1.19 -1.05 -1.059 -0.526 -0.5 -1.311 -0.842565830721003 -0.83222424362364 -1.377 -0.9618 3001081 BCB01_000164 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I07 compound treatment -0.852 -0.33 -0.29 -0.825 -0.292 -0.28 -0.359 0.109434169278997 0.10809098284565 -0.2664 -0.6387 3093394 BCB01_000165 CN1C(=O)C2C=CC(C(O)c3cn(C(=O)C)c4ccccc34)N(Nc5ccccc5)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I08 compound treatment -2.02 -1.5 -1.32 -2.176 -1.64 -1.57 -2.093 -1.624565830721 -1.60462603679484 -2.5945 -0.9966 3093395 BCB01_000166 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I09 compound treatment -2.089 -1.57 -1.38 -2.304 -1.77 -1.69 -1.979 -1.510565830721 -1.4920252638773 -2.6351 -0.9966 3001082 BCB01_000167 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I10 compound treatment -0.932 -0.41 -0.36 -0.625 -0.092 -0.09 -0.957 -0.488565830721003 -0.482569211932328 -0.5382 -0.8829 3093464 BCB01_000168 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I11 compound treatment -1.275 -0.753 -0.67 -1.839 -1.31 -1.24 -1.625 -1.156565830721 -1.14237023218599 -1.762 -0.9706 3001083 BCB01_000169 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I12 compound treatment -0.981 -0.459 -0.41 -0.889 -0.356 -0.34 -0.8 -0.331565830721003 -0.327496217651154 -0.6189 -0.9954 3093465 BCB01_000170 CN1C(=O)C2C=CC(C(O)c3cccn3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I13 compound treatment 0.32 0.842 0.74 0.121 0.654 0.62 -0.012 0.456434169278997 0.450831931989393 1.05 0.9808 3093466 BCB01_000171 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccc(C)o4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I14 compound treatment -1.273 -0.751 -0.66 -1.57 -1.04 -0.99 -1.333 -0.864565830721003 -0.853954217344569 -1.4465 -0.9875 3001084 BCB01_000172 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I15 compound treatment -0.936 -0.414 -0.37 -1.113 -0.58 -0.55 -0.678 -0.209565830721003 -0.20699363610782 -0.6496 -0.9359 3093467 BCB01_000173 CN1C(=O)C2C=CC(C(O)c3cccs3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I16 compound treatment -1.82 -1.3 -1.15 -1.592 -1.06 -1.01 -1.289 -0.820565830721003 -0.810494269902711 -1.7127 -0.9904 3093468 BCB01_000174 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I17 compound treatment -1.58 -1.06 -0.93 -1.367 -0.834 -0.79 -0.895 -0.426565830721003 -0.421330195082438 -1.2418 -0.9572 3001085 BCB01_000175 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I18 compound treatment -0.925 -0.403 -0.36 -0.424 0.109 0.1 -0.533 -0.064565830721003 -0.0637733547653338 -0.1823 -0.4846 3093469 BCB01_000176 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I19 compound treatment -1.179 -0.657 -0.58 -1.745 -1.21 -1.15 -1.256 -0.787565830721003 -0.777899309321318 -1.4508 -0.9619 3001086 BCB01_000177 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccccc5)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I20 compound treatment -1.305 -0.783 -0.69 -2.0 -1.47 -1.4 -1.963 -1.494565830721 -1.47622164662572 -2.0586 -0.9587 3093470 BCB01_000178 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I21 compound treatment -1.355 -0.833 -0.74 -1.613 -1.08 -1.03 -1.34 -0.871565830721003 -0.860868299892137 -1.516 -0.9907 3001087 BCB01_000179 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I22 compound treatment -2.218 -1.7 -1.5 -1.968 -1.43 -1.37 -2.048 -1.579565830721 -1.56017836327476 -2.5555 -0.9985 3093471 BCB01_000180 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I23 mock treatment 0.136 0.658 0.58 -0.567 -0.034 -0.03 -0.424 0.044434169278997 0.043888787761087 0.3428 0.5862 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 I24 mock treatment -0.273 0.249 0.22 -0.297 0.236 0.22 -0.274 0.194434169278997 0.192047699494694 0.368 0.9977 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J01 mock treatment -1.256 -0.734 -0.65 -1.074 -0.541 -0.52 -0.979 -0.510565830721003 -0.504299185653257 -0.9631 -0.9931 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J02 mock treatment -1.039 -0.517 -0.46 -0.931 -0.398 -0.38 -0.532 -0.063565830721003 -0.0627856286871098 -0.5188 -0.8692 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J03 compound treatment -1.206 -0.684 -0.6 -1.205 -0.672 -0.64 -1.055 -0.586565830721003 -0.579366367598285 -1.053 -0.9992 3093472 BCB01_000181 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J04 compound treatment 0.055 0.577 0.51 0.025 0.558 0.53 -0.258 0.210434169278997 0.207851316746278 0.7217 0.9424 3001088 BCB01_000182 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J05 compound treatment -1.14 -0.618 -0.55 -1.042 -0.509 -0.48 -1.293 -0.824565830721003 -0.814445174215607 -1.0654 -0.974 3093473 BCB01_000183 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J06 compound treatment -0.433 0.0894 0.08 -0.955 -0.422 -0.4 -0.891 -0.422565830721003 -0.417379290769542 -0.4274 -0.7308 3093474 BCB01_000184 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J07 compound treatment -1.0 -0.478 -0.42 -1.333 -0.8 -0.76 -0.559 -0.090565830721003 -0.089454232799159 -0.7354 -0.8397 3001089 BCB01_000185 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J08 compound treatment -0.559 -0.0366 -0.03 -0.75 -0.217 -0.21 -0.397 0.071434169278997 0.0705573918731362 -0.0972 -0.4405 3001153 BCB01_000186 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J09 compound treatment -2.516 -1.99 -1.76 -2.127 -1.59 -1.52 -2.152 -1.683565830721 -1.66290187541006 -2.8544 -0.9982 3001154 BCB01_000187 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J10 compound treatment 1.034 1.56 1.35 0.726 1.26 1.2 0.853 1.321434169279 1.30521498965319 2.2278 0.9987 3001156 BCB01_000188 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J11 compound treatment -1.163 -0.641 -0.57 -1.563 -1.03 -0.98 -1.412 -0.943565830721003 -0.931984577524268 -1.4315 -0.9758 3001157 BCB01_000189 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J12 compound treatment -0.614 -0.0916 -0.08 -0.482 0.051 0.05 -0.549 -0.080565830721003 -0.0795769720169185 -0.0646 -0.5231 3093475 BCB01_000190 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J13 compound treatment -1.173 -0.651 -0.58 -1.343 -0.81 -0.77 -1.237 -0.768565830721003 -0.759132513835061 -1.2158 -0.9919 3093476 BCB01_000191 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J14 compound treatment -0.857 -0.335 -0.3 -1.036 -0.503 -0.48 -0.634 -0.165565830721003 -0.163533688665962 -0.5418 -0.9241 3001159 BCB01_000192 CCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J15 compound treatment -1.43 -0.908 -0.8 -1.337 -0.804 -0.77 -1.05 -0.581565830721003 -0.574427737207165 -1.2371 -0.9903 3093477 BCB01_000193 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J16 compound treatment -1.853 -1.33 -1.18 -1.8 -1.27 -1.21 -2.085 -1.616565830721 -1.59672422816905 -2.2979 -0.9898 3001160 BCB01_000194 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J17 compound treatment -1.324 -0.802 -0.71 -1.267 -0.734 -0.7 -1.256 -0.787565830721003 -0.777899309321318 -1.2619 -0.9988 3093478 BCB01_000195 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J18 compound treatment -0.683 -0.161 -0.14 -1.015 -0.482 -0.46 -0.792 -0.323565830721003 -0.319594409025361 -0.5316 -0.921 3093479 BCB01_000196 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J19 compound treatment -0.862 -0.34 -0.3 -0.967 -0.434 -0.41 0.205 0.673434169278997 0.665168490964011 -0.028 -0.0333 3001161 BCB01_000197 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J20 compound treatment -0.516 0.00645 0.01 -0.379 0.154 0.15 -0.29 0.178434169278997 0.176244082243109 0.1898 0.8272 3093480 BCB01_000198 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J21 compound treatment -1.75 -1.23 -1.09 -1.63 -1.1 -1.05 -1.522 -1.053565830721 -1.04063444612891 -1.8307 -0.9998 3093481 BCB01_000199 CCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J22 compound treatment -0.236 0.286 0.25 -0.387 0.146 0.14 -0.472 -0.00356583072100297 -0.00352206399366708 0.2245 0.7769 3001163 BCB01_000200 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J23 mock treatment -0.552 -0.0296 -0.03 -0.514 0.019 0.02 -0.563 -0.0945658307210029 -0.0934051371120551 -0.0585 -0.5932 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 J24 mock treatment -0.431 0.0914 0.08 -0.422 0.111 0.11 -0.612 -0.143565830721003 -0.141803714945033 0.0259 0.1331 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K01 mock treatment -0.519 0.00345 0.0 -0.808 -0.275 -0.26 -0.789 -0.320565830721003 -0.316631230790689 -0.3323 -0.8086 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K02 mock treatment -0.301 0.221 0.2 -0.361 0.172 0.16 -0.291 0.177434169278997 0.175256356164885 0.3088 0.9973 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K03 compound treatment -1.032 -0.51 -0.45 -0.886 -0.353 -0.34 -1.203 -0.734565830721003 -0.725549827175443 -0.8731 -0.9513 3093482 BCB01_000201 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccccc4)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K04 compound treatment -0.803 -0.281 -0.25 -0.408 0.125 0.12 -0.828 -0.359565830721003 -0.355152547841427 -0.2795 -0.6221 3001164 BCB01_000202 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K05 compound treatment -0.886 -0.364 -0.32 -0.67 -0.137 -0.13 -0.868 -0.399565830721003 -0.394661590970389 -0.4888 -0.9302 3093483 BCB01_000203 CN1C(=O)C2C=CC(C(O)/C=C(\C)/CCC=C(C)C)N(Nc3ccccc3)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K06 compound treatment -1.732 -1.21 -1.07 -1.507 -0.974 -0.93 -1.361 -0.892565830721003 -0.881610547534842 -1.6621 -0.9966 3093484 BCB01_000204 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K07 compound treatment -0.446 0.0764 0.07 -0.417 0.116 0.11 -0.253 0.215434169278997 0.212789947137399 0.2257 0.9059 3000112 BCB01_000205 CN1C(=O)C2C=CC(C(O)C(C)(C)C)N(Nc3ccccc3)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K08 compound treatment -0.179 0.343 0.3 -1.532 -0.999 -0.95 -0.924 -0.455565830721003 -0.449974251350935 -0.6339 -0.5786 3000114 BCB01_000206 COc1ccc(cc1)C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K09 compound treatment -1.481 -0.959 -0.85 -1.63 -1.1 -1.05 -1.28 -0.811565830721003 -0.801604735198695 -1.5554 -0.9932 3000115 BCB01_000207 CCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K10 compound treatment -1.099 -0.577 -0.51 -0.661 -0.128 -0.12 -1.0 -0.531565830721003 -0.525041433295962 -0.6678 -0.9002 3000116 BCB01_000208 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K11 compound treatment -1.648 -1.13 -1.0 -1.463 -0.93 -0.89 -1.8 -1.331565830721 -1.3152222958752 -1.8454 -0.9857 3000118 BCB01_000209 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K12 compound treatment -0.891 -0.369 -0.33 -1.983 -1.45 -1.38 -1.772 -1.303565830721 -1.28756596568492 -1.729 -0.9023 3093485 BCB01_000210 CCCCC(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K13 compound treatment -0.586 -0.0636 -0.06 -1.4 -0.867 -0.83 -1.333 -0.864565830721003 -0.853954217344569 -1.0023 -0.8427 3093645 BCB01_000211 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K14 compound treatment -1.07 -0.548 -0.48 -0.789 -0.256 -0.24 -0.633 -0.164565830721003 -0.162545962587738 -0.5141 -0.9085 3000120 BCB01_000212 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K15 compound treatment -1.238 -0.716 -0.63 -0.89 -0.357 -0.34 -1.197 -0.728565830721003 -0.719623470706099 -0.977 -0.961 3093555 BCB01_000213 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K16 compound treatment -0.5 0.0224 0.02 -0.57 -0.037 -0.04 -0.519 -0.050565830721003 -0.0499451896701972 -0.0377 -0.5869 3093556 BCB01_000214 COc1ccc(C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K17 compound treatment -1.689 -1.17 -1.03 -1.449 -0.916 -0.87 -1.056 -0.587565830721003 -0.580354093676509 -1.4343 -0.9755 3000122 BCB01_000215 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K18 compound treatment -0.733 -0.211 -0.19 -0.701 -0.168 -0.16 -0.873 -0.404565830721003 -0.399600221361509 -0.4306 -0.9181 3093557 BCB01_000216 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K19 compound treatment -0.217 0.305 0.27 -0.439 0.094 0.09 -0.046 0.422434169278997 0.417249245329776 0.4485 0.8882 3000123 BCB01_000217 OC(C#Cc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K20 compound treatment -0.912 -0.39 -0.34 -2.0 -1.47 -1.4 -1.146 -0.677565830721003 -0.669249440716673 -1.3921 -0.877 3093558 BCB01_000218 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(C2C1=O)N(c5ccccc5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K21 compound treatment -1.598 -1.08 -0.95 -1.771 -1.24 -1.18 -1.229 -0.760565830721003 -0.751230705209268 -1.6636 -0.9838 3093559 BCB01_000219 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K22 compound treatment -0.386 0.136 0.12 -0.453 0.08 0.08 -0.489 -0.020565830721003 -0.0203134073234758 0.1019 0.7072 3000124 BCB01_000220 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K23 mock treatment -0.156 0.366 0.32 -0.134 0.399 0.38 -0.482 -0.013565830721003 -0.0133993247759075 0.3988 0.7981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 K24 mock treatment -0.184 0.338 0.3 -0.633 -0.1 -0.1 -0.646 -0.177565830721003 -0.175386401604651 0.0165 0.0459 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L01 mock treatment -0.01 0.512 0.45 -0.288 0.245 0.23 -0.073 0.395434169278997 0.390580641217727 0.6219 0.9684 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L02 mock treatment -0.641 -0.119 -0.1 -0.439 0.094 0.09 -0.104 0.364434169278997 0.359961132792781 0.199 0.5164 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L03 compound treatment -1.096 -0.574 -0.51 -1.953 -1.42 -1.35 -1.609 -1.140565830721 -1.12656661493441 -1.7242 -0.9412 3093560 BCB01_000221 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L04 compound treatment -0.59 -0.0676 -0.06 -0.897 -0.364 -0.35 -0.338 0.130434169278997 0.128833230488355 -0.1603 -0.4278 3093561 BCB01_000222 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L05 compound treatment -2.029 -1.51 -1.33 -2.598 -2.06 -1.97 -1.222 -0.753565830721003 -0.7443166226617 -2.3345 -0.9377 3000127 BCB01_000223 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L06 compound treatment -0.592 -0.0696 -0.06 -0.988 -0.455 -0.43 0.635 1.103434169279 1.08989070460035 0.3435 0.2925 3093562 BCB01_000224 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L07 compound treatment -0.614 -0.0916 -0.08 -1.39 -0.857 -0.82 0.871 1.339434169279 1.32299405906122 0.2458 0.1579 3093563 BCB01_000225 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L08 compound treatment -0.712 -0.19 -0.17 -0.959 -0.426 -0.41 -0.632 -0.163565830721003 -0.161558236509514 -0.4243 -0.907 3000128 BCB01_000226 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L09 compound treatment -0.87 -0.348 -0.31 -1.198 -0.665 -0.63 -0.12 0.348434169278997 0.344157515541196 -0.3444 -0.4395 3093564 BCB01_000227 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L10 compound treatment -0.6 -0.0776 -0.07 -0.522 0.011 0.01 -0.205 0.263434169278997 0.260200798892153 0.1167 0.4334 3000129 BCB01_000228 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4c(F)cccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L11 compound treatment -0.626 -0.104 -0.09 -0.951 -0.418 -0.4 -1.137 -0.668565830721003 -0.660359906012656 -0.664 -0.8551 3093565 BCB01_000229 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L12 compound treatment -0.264 0.258 0.23 -0.736 -0.203 -0.19 -0.691 -0.222565830721003 -0.219834075124733 -0.1066 -0.2871 3093566 BCB01_000230 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L13 compound treatment -0.542 -0.0196 -0.02 -0.847 -0.314 -0.3 -0.692 -0.223565830721003 -0.220821801202957 -0.3102 -0.8333 3000131 BCB01_000231 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L14 compound treatment -0.376 0.146 0.13 -0.718 -0.185 -0.18 -0.483 -0.014565830721003 -0.0143870508541316 -0.0353 -0.161 3093567 BCB01_000232 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L15 compound treatment -0.96 -0.438 -0.39 -1.137 -0.604 -0.58 -0.941 -0.472565830721003 -0.466765594680744 -0.825 -0.9871 3093568 BCB01_000233 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L16 compound treatment -0.38 0.142 0.13 -0.588 -0.055 -0.05 0.548 1.016434169279 1.00395853579486 0.6221 0.614 3000133 BCB01_000234 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L17 compound treatment -0.873 -0.351 -0.31 -0.969 -0.436 -0.42 -0.031 0.437434169278997 0.432065136503136 -0.1693 -0.2509 3093569 BCB01_000235 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L18 compound treatment -0.638 -0.116 -0.1 -0.714 -0.181 -0.17 -0.779 -0.310565830721003 -0.306753970008449 -0.3356 -0.916 3000205 BCB01_000236 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L19 compound treatment -1.007 -0.485 -0.43 -1.814 -1.28 -1.22 -0.766 -0.297565830721003 -0.293913530991536 -1.1216 -0.8456 3000206 BCB01_000237 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L20 compound treatment 0.195 0.717 0.63 -0.317 0.216 0.21 -0.043 0.425434169278997 0.420212423564448 0.7276 0.9232 3000207 BCB01_000238 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L21 compound treatment -0.734 -0.212 -0.19 -1.19 -0.657 -0.63 -0.817 -0.348565830721003 -0.344287560980962 -0.6681 -0.9048 3000208 BCB01_000239 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L22 compound treatment -0.504 0.0184 0.02 -0.896 -0.363 -0.35 -0.375 0.093434169278997 0.0922873655940652 -0.1369 -0.3822 3093570 BCB01_000240 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L23 mock treatment -0.261 0.261 0.23 -0.506 0.027 0.03 -0.256 0.212434169278997 0.209826768902726 0.2695 0.8603 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 L24 mock treatment -0.241 0.281 0.25 -0.558 -0.025 -0.02 -0.441 0.027434169278997 0.0270974444312783 0.1456 0.579 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M01 mock treatment -0.986 -0.464 -0.41 -0.923 -0.39 -0.37 -0.805 -0.336565830721003 -0.332434848042274 -0.643 -0.9964 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M02 mock treatment -0.527 -0.00455 0.0 -1.025 -0.492 -0.47 -0.831 -0.362565830721003 -0.358115726076099 -0.4797 -0.8132 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M03 compound treatment -0.608 -0.0856 -0.08 -0.63 -0.097 -0.09 -0.419 0.049434169278997 0.0488274181522073 -0.0688 -0.5334 3000209 BCB01_000241 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M04 compound treatment 0.141 0.663 0.59 0.104 0.637 0.61 -0.078 0.390434169278997 0.385642010826606 0.9117 0.9825 3093571 BCB01_000242 C/C=C/C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M05 compound treatment -1.964 -1.44 -1.27 -2.0 -1.47 -1.4 -1.655 -1.186565830721 -1.17200201453271 -2.2193 -0.9974 3093572 BCB01_000243 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M06 compound treatment -1.275 -0.753 -0.67 -1.011 -0.478 -0.46 -1.317 -0.848565830721003 -0.838150600092984 -1.1309 -0.9724 3000211 BCB01_000244 CC(C)C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M07 compound treatment -1.595 -1.07 -0.95 -2.321 -1.79 -1.7 -2.108 -1.639565830721 -1.6194419279682 -2.4659 -0.973 3093573 BCB01_000245 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M08 compound treatment -0.484 0.0384 0.03 -0.879 -0.346 -0.33 -0.865 -0.396565830721003 -0.391698412735716 -0.3968 -0.7734 3093574 BCB01_000246 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M09 compound treatment -1.671 -1.15 -1.02 -2.017 -1.48 -1.41 -1.588 -1.119565830721 -1.1058243672917 -2.0409 -0.9897 3000213 BCB01_000247 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M10 compound treatment -1.625 -1.1 -0.97 -1.686 -1.15 -1.1 -1.962 -1.493565830721 -1.47523392054749 -2.0486 -0.9842 3093575 BCB01_000248 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M11 compound treatment -2.0 -1.48 -1.31 -2.051 -1.52 -1.45 -1.823 -1.354565830721 -1.33793999567435 -2.3616 -0.999 3000215 BCB01_000249 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M12 compound treatment -1.339 -0.817 -0.72 -1.265 -0.732 -0.7 -1.064 -0.595565830721003 -0.588255902302301 -1.159 -0.9963 3093576 BCB01_000250 CC(C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M13 compound treatment -1.96 -1.44 -1.27 -1.585 -1.05 -1.0 -1.618 -1.149565830721 -1.13545614963842 -1.9679 -0.9954 3093646 BCB01_000251 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M14 compound treatment -1.306 -0.784 -0.69 -1.186 -0.653 -0.62 -0.901 -0.432565830721003 -0.427256551551782 -1.0058 -0.9818 3000219 BCB01_000252 CN1C(=O)C2C=CC(C(O)c3cccs3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M15 compound treatment -1.406 -0.884 -0.78 -1.604 -1.07 -1.02 -1.233 -0.764565830721003 -0.755181609522165 -1.476 -0.9903 3093647 BCB01_000253 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M16 compound treatment -0.857 -0.335 -0.3 -1.194 -0.661 -0.63 -0.839 -0.370565830721003 -0.366017534701891 -0.7456 -0.9485 3000221 BCB01_000254 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M17 compound treatment -0.894 -0.372 -0.33 -1.467 -0.934 -0.89 -1.214 -0.745565830721003 -0.736414814035908 -1.1285 -0.9398 3093648 BCB01_000255 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M18 compound treatment -1.2 -0.678 -0.6 -1.152 -0.619 -0.59 -1.385 -0.916565830721003 -0.905315973412219 -1.209 -0.9786 3093649 BCB01_000256 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M19 compound treatment -1.424 -0.902 -0.8 -1.542 -1.01 -0.96 -1.216 -0.747565830721003 -0.738390266192356 -1.4414 -0.9936 3000223 BCB01_000257 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M20 compound treatment -1.377 -0.855 -0.76 -1.484 -0.951 -0.91 -1.922 -1.453565830721 -1.43572487741853 -1.7881 -0.9623 3093650 BCB01_000258 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M21 compound treatment -2.342 -1.82 -1.61 -2.393 -1.86 -1.77 -1.685 -1.216565830721 -1.20163379687943 -2.6455 -0.9879 3093651 BCB01_000259 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M22 compound treatment -2.464 -1.94 -1.72 -1.931 -1.4 -1.33 -1.864 -1.395565830721 -1.37843676488154 -2.5558 -0.9933 3000225 BCB01_000260 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M23 mock treatment -0.51 0.0124 0.01 -0.433 0.1 0.1 -0.541 -0.072565830721003 -0.0716751633911262 0.02 0.167 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 M24 mock treatment -0.561 -0.0386 -0.03 -0.31 0.223 0.21 -0.44 0.028434169278997 0.0280851705095023 0.1192 0.5493 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N01 mock treatment -0.943 -0.421 -0.37 -0.95 -0.417 -0.4 -0.876 -0.407565830721003 -0.402563399596181 -0.6764 -0.9994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N02 mock treatment -0.918 -0.396 -0.35 -0.824 -0.291 -0.28 -0.868 -0.399565830721003 -0.394661590970389 -0.5898 -0.99 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N03 compound treatment -1.474 -0.952 -0.84 -0.976 -0.443 -0.42 -1.389 -0.920565830721003 -0.909266877725116 -1.2543 -0.9585 3093652 BCB01_000261 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N04 compound treatment -0.463 0.0594 0.05 -0.554 -0.021 -0.02 -0.741 -0.272565830721003 -0.269220379035935 -0.1366 -0.4967 3093653 BCB01_000262 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N05 compound treatment -0.482 0.0404 0.04 -0.707 -0.174 -0.17 -1.0 -0.531565830721003 -0.525041433295962 -0.3782 -0.6854 3000227 BCB01_000263 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N06 compound treatment 0.194 0.716 0.63 -0.324 0.209 0.2 -0.093 0.375434169278997 0.370826119653246 0.6948 0.9136 3093654 BCB01_000264 C/C=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N07 compound treatment -1.566 -1.04 -0.92 -1.476 -0.943 -0.9 -1.21 -0.741565830721003 -0.732463909723012 -1.4742 -0.9951 3093655 BCB01_000265 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N08 compound treatment -0.479 0.0434 0.04 -0.574 -0.041 -0.04 -0.267 0.201434169278997 0.198961782042262 0.1145 0.555 3000229 BCB01_000266 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N09 compound treatment -1.81 -1.29 -1.14 -1.843 -1.31 -1.25 -1.656 -1.187565830721 -1.17298974061094 -2.0549 -0.9993 3093656 BCB01_000267 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N10 compound treatment -0.304 0.218 0.19 -0.712 -0.179 -0.17 -0.861 -0.392565830721003 -0.38774750842282 -0.2108 -0.4528 3000231 BCB01_000268 CC(C)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N11 compound treatment -1.0 -0.478 -0.42 -1.351 -0.818 -0.78 -1.54 -1.071565830721 -1.05841351553695 -1.3047 -0.9451 3093657 BCB01_000269 CC(C)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N12 compound treatment 0.019 0.541 0.48 -0.098 0.435 0.41 -0.14 0.328434169278997 0.324402993976716 0.7029 0.9881 3000297 BCB01_000270 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N13 compound treatment -0.784 -0.262 -0.23 -1.404 -0.871 -0.83 -1.414 -0.945565830721003 -0.933960029680717 -1.1518 -0.9065 3000298 BCB01_000271 OB(O)c1ccc(cc1)C(O)C2C=CC3CN(C(=O)C3N2Nc4ccc(C#N)cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N14 compound treatment -0.907 -0.385 -0.34 -0.964 -0.431 -0.41 -0.747 -0.278565830721003 -0.275146735505279 -0.5922 -0.9872 3000299 BCB01_000272 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N15 compound treatment -0.268 0.254 0.22 -0.236 0.297 0.28 -0.527 -0.058565830721003 -0.0578469982959896 0.2599 0.7098 3093658 BCB01_000273 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N16 compound treatment -0.97 -0.448 -0.4 -0.892 -0.359 -0.34 -1.339 -0.870565830721003 -0.859880573813913 -0.9223 -0.9164 3093659 BCB01_000274 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N17 compound treatment -0.796 -0.274 -0.24 -0.667 -0.134 -0.13 -1.057 -0.588565830721003 -0.581341819754733 -0.5489 -0.8545 3000301 BCB01_000275 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N18 compound treatment -0.458 0.0644 0.06 -0.81 -0.277 -0.26 -0.722 -0.253565830721003 -0.250453583549678 -0.264 -0.7171 3093660 BCB01_000276 CC(C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N19 compound treatment -0.808 -0.286 -0.25 -0.984 -0.451 -0.43 -0.853 -0.384565830721003 -0.379845699797028 -0.6131 -0.9785 3093661 BCB01_000277 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N20 compound treatment -0.188 0.334 0.3 -0.016 0.517 0.49 0.087 0.555434169278997 0.548616813733574 0.7718 0.9716 3000302 BCB01_000278 CC(CC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C)o4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N21 compound treatment -1.922 -1.4 -1.24 -1.653 -1.12 -1.07 -1.768 -1.299565830721 -1.28361506137203 -2.0715 -0.997 3093662 BCB01_000279 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N22 compound treatment -0.845 -0.323 -0.29 -0.891 -0.358 -0.34 -1.045 -0.576565830721003 -0.569489106816044 -0.6903 -0.9555 3093663 BCB01_000280 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N23 mock treatment -0.61 -0.0876 -0.08 -0.481 0.052 0.05 -0.229 0.239434169278997 0.236495373014776 0.1205 0.4748 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 N24 mock treatment -0.224 0.298 0.26 -0.772 -0.239 -0.23 -0.494 -0.025565830721003 -0.0252520377145961 0.0063 0.0181 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O01 mock treatment -0.4 0.122 0.11 -0.44 0.093 0.09 -0.41 0.058434169278997 0.0577169528562237 0.147 0.9712 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O02 mock treatment -0.452 0.0704 0.06 -0.052 0.481 0.46 -0.137 0.331434169278997 0.327366172211388 0.4895 0.864 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O03 compound treatment -1.828 -1.31 -1.15 -1.289 -0.756 -0.72 -1.812 -1.343565830721 -1.32707500881389 -1.8484 -0.9726 3000303 BCB01_000281 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O04 compound treatment -1.373 -0.851 -0.75 -1.42 -0.887 -0.84 -1.875 -1.406565830721 -1.389301751742 -1.7241 -0.9624 3093664 BCB01_000282 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O05 compound treatment -0.967 -0.445 -0.39 -0.769 -0.236 -0.22 -0.852 -0.383565830721003 -0.378857973718804 -0.5754 -0.9747 3093665 BCB01_000283 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O06 compound treatment -0.891 -0.369 -0.33 -0.833 -0.3 -0.29 -0.648 -0.179565830721003 -0.177361853761099 -0.4555 -0.9727 3000304 BCB01_000284 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O07 compound treatment -0.562 -0.0396 -0.03 -0.668 -0.135 -0.13 -0.391 0.077434169278997 0.0764837483424805 -0.0503 -0.3271 3093666 BCB01_000285 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O08 compound treatment -0.924 -0.402 -0.36 -2.254 -1.72 -1.64 -1.367 -0.898565830721003 -0.887536904004187 -1.6639 -0.8768 3093667 BCB01_000286 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)C(=O)C)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O09 compound treatment -1.358 -0.836 -0.74 -1.45 -0.917 -0.87 -1.228 -0.759565830721003 -0.750242979131044 -1.364 -0.997 3000307 BCB01_000287 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O10 compound treatment -1.417 -0.895 -0.79 -1.919 -1.39 -1.32 -1.607 -1.138565830721 -1.12459116277796 -1.8682 -0.9801 3093736 BCB01_000288 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O11 compound treatment -0.566 -0.0436 -0.04 -0.807 -0.274 -0.26 -1.117 -0.648565830721003 -0.640605384448176 -0.5428 -0.7834 3000308 BCB01_000289 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O12 compound treatment -0.975 -0.453 -0.4 -1.47 -0.937 -0.89 -1.61 -1.141565830721 -1.12755434101263 -1.3973 -0.9361 3093737 BCB01_000290 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O13 compound treatment -1.089 -0.567 -0.5 -1.128 -0.595 -0.57 -1.165 -0.696565830721003 -0.68801623620293 -1.0136 -0.9913 3093738 BCB01_000291 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O14 compound treatment -1.759 -1.24 -1.09 -1.343 -0.81 -0.77 -1.454 -0.985565830721003 -0.973469072809678 -1.6387 -0.9903 3000310 BCB01_000292 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O15 compound treatment -1.524 -1.0 -0.89 -1.275 -0.742 -0.71 -1.366 -0.897565830721003 -0.886549177925963 -1.4312 -0.9948 3093739 BCB01_000293 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O16 compound treatment -1.746 -1.22 -1.08 -1.766 -1.23 -1.17 -2.152 -1.683565830721 -1.66290187541006 -2.2628 -0.9815 3000311 BCB01_000294 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O17 compound treatment -0.788 -0.266 -0.23 -0.67 -0.137 -0.13 -0.848 -0.379565830721003 -0.374907069405908 -0.4273 -0.9266 3093740 BCB01_000295 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O18 compound treatment -1.716 -1.19 -1.06 -2.025 -1.49 -1.42 -2.0 -1.531565830721 -1.51276751152001 -2.3032 -0.9891 3093741 BCB01_000296 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O19 compound treatment -0.418 0.104 0.09 -0.599 -0.066 -0.06 0.232 0.700434169278997 0.69183709507606 0.4165 0.5943 3000313 BCB01_000297 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O20 compound treatment -0.087 0.435 0.38 -2.394 -1.86 -1.77 -1.374 -0.905565830721003 -0.894450986551755 -1.3177 -0.6515 3093742 BCB01_000298 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O21 compound treatment -1.684 -1.16 -1.03 -1.985 -1.45 -1.38 -1.186 -0.717565830721003 -0.708758483845634 -1.8007 -0.9666 3000315 BCB01_000299 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O22 compound treatment -1.106 -0.584 -0.52 -1.402 -0.869 -0.83 -1.61 -1.141565830721 -1.12755434101263 -1.4268 -0.957 3093743 BCB01_000300 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)C(C)C)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O23 mock treatment -0.272 0.25 0.22 -0.483 0.05 0.05 -0.145 0.323434169278997 0.319464363585595 0.3398 0.8677 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 O24 mock treatment 0.083 0.605 0.54 -0.814 -0.281 -0.27 -0.686 -0.217565830721003 -0.214895444733613 0.0304 0.0479 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P01 mock treatment -0.771 -0.249 -0.22 -1.135 -0.602 -0.57 -0.59 -0.121565830721003 -0.120073741224104 -0.5273 -0.8426 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P02 mock treatment 0.449 0.971 0.86 -0.25 0.283 0.27 0.364 0.832434169278997 0.822216937401634 1.1262 0.9238 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P03 compound treatment -0.523 -5.55E-4 0.0 -0.943 -0.41 -0.39 -0.845 -0.376565830721003 -0.371943891171236 -0.4405 -0.8168 3000135 BCB01_000301 CC(C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P04 compound treatment -0.41 0.112 0.1 -0.553 -0.02 -0.02 0.188 0.656434169278997 0.648377147634202 0.4208 0.6412 3000137 BCB01_000302 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P05 compound treatment -0.558 -0.0356 -0.03 -0.748 -0.215 -0.2 -0.455 0.013434169278997 0.0132692793361416 -0.1287 -0.62 3000138 BCB01_000303 CC(CC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P06 compound treatment -0.621 -0.0986 -0.09 -0.602 -0.069 -0.07 -0.528 -0.059565830721003 -0.0588347243742136 -0.1222 -0.9857 3000139 BCB01_000304 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C#N)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P07 compound treatment -0.67 -0.148 -0.13 -1.191 -0.658 -0.63 -1.34 -0.871565830721003 -0.860868299892137 -0.9342 -0.8708 3093744 BCB01_000305 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P08 compound treatment -0.398 0.124 0.11 -0.362 0.171 0.16 -0.028 0.440434169278997 0.435028314737808 0.4088 0.8562 3000141 BCB01_000306 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P09 compound treatment -0.379 0.143 0.13 -0.956 -0.423 -0.4 -0.547 -0.078565830721003 -0.0776015198604705 -0.2042 -0.4755 3093745 BCB01_000307 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P10 compound treatment -0.519 0.00345 0.0 -0.778 -0.245 -0.23 -0.552 -0.083565830721003 -0.0825401502515907 -0.1806 -0.7297 3093746 BCB01_000308 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P11 compound treatment -0.714 -0.192 -0.17 -1.0 -0.467 -0.44 -0.857 -0.388565830721003 -0.383796604109924 -0.5762 -0.9423 3000143 BCB01_000309 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P12 compound treatment -1.183 -0.661 -0.58 -0.646 -0.113 -0.11 -0.465 0.00343416927899698 0.00339201855390118 -0.3973 -0.6691 3093747 BCB01_000310 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P13 compound treatment -1.316 -0.794 -0.7 -0.667 -0.134 -0.13 -1.475 -1.006565830721 -0.994211320452383 -1.0527 -0.8604 3093748 BCB01_000311 CC(=CCC/C=C(\C)/C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P14 compound treatment 0.583 1.11 0.98 0.212 0.745 0.71 1.206 1.674434169279 1.50558381437912 1.8433 0.955 3000145 BCB01_000312 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P15 compound treatment -0.709 -0.187 -0.16 -1.078 -0.545 -0.52 -0.648 -0.179565830721003 -0.177361853761099 -0.4974 -0.8682 3093749 BCB01_000313 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P16 compound treatment 0.025 0.547 0.48 -0.521 0.012 0.01 -0.315 0.153434169278997 0.151550930287508 0.3736 0.7364 3093750 BCB01_000314 OCC(O)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P17 compound treatment -1.178 -0.656 -0.58 -1.312 -0.779 -0.74 -0.935 -0.466565830721003 -0.4608392382114 -1.0291 -0.9817 3000147 BCB01_000315 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(I)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P18 compound treatment -0.951 -0.429 -0.38 -0.504 0.029 0.03 -0.694 -0.225565830721003 -0.222797253359405 -0.3314 -0.7525 3093751 BCB01_000316 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P19 compound treatment -1.034 -0.512 -0.45 -0.869 -0.336 -0.32 -0.536 -0.067565830721003 -0.066736533000006 -0.4844 -0.8681 3093752 BCB01_000317 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P20 compound treatment -0.244 0.278 0.25 0.254 0.787 0.75 -0.194 0.274434169278997 0.271065785752617 0.7315 0.8767 3000149 BCB01_000318 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P21 compound treatment -0.719 -0.197 -0.17 -1.171 -0.638 -0.61 -0.785 -0.316565830721003 -0.312680326477793 -0.6317 -0.8958 3093752 BCB01_000319 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P22 compound treatment -1.0 -0.478 -0.42 -1.139 -0.606 -0.58 -0.118 0.350434169278997 0.346132967697645 -0.3772 -0.4747 3093753 BCB01_000320 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P23 mock treatment -0.41 0.112 0.1 -0.494 0.039 0.04 -0.339 0.129434169278997 0.127845504410131 0.1527 0.9189 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2000 P24 mock treatment -1.22 -0.698 -0.62 -0.542 -0.00895 -0.01 -0.27 0.198434169278997 0.19599860380759 -0.2478 -0.3829 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A01 compound treatment -1.27 -0.748 -0.66 -0.879 -0.346 -0.33 -1.115 -0.646565830721003 -0.638629932291727 -0.9406 -0.9633 3000745 BCB02_000001 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A02 compound treatment -1.14 -0.618 -0.55 -0.723 -0.19 -0.18 -0.732 -0.263565830721003 -0.260330844331919 -0.57 -0.9028 3000746 BCB02_000002 CC(C)OC(=O)C1=CCC(O1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A03 compound treatment -0.644 -0.122 -0.11 -1.08 -0.547 -0.52 -0.667 -0.198565830721003 -0.196128649247356 -0.4761 -0.8397 3000747 BCB02_000003 OC(C1CCCCC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A04 compound treatment -1.451 -0.929 -0.82 -1.565 -1.03 -0.98 -1.119 -0.650565830721003 -0.642580836604624 -1.4125 -0.9858 3000748 BCB02_000004 CCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A05 compound treatment 0.379 0.901 0.8 -1.678 -1.14 -1.09 -1.556 -1.087565830721 -1.07421713278853 -0.7898 -0.4576 3000749 BCB02_000005 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A06 compound treatment -0.56 -0.0376 -0.03 -0.68 -0.147 -0.14 -0.692 -0.223565830721003 -0.220821801202957 -0.2275 -0.8631 3000750 BCB02_000006 COC(=O)C1=CCC(O1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A07 compound treatment -1.086 -0.564 -0.5 -1.177 -0.644 -0.61 -1.053 -0.584565830721003 -0.577390915441837 -0.9752 -0.9964 3093754 BCB02_000007 CCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A08 compound treatment -0.812 -0.29 -0.26 -1.015 -0.482 -0.46 -1.056 -0.587565830721003 -0.580354093676509 -0.7479 -0.9552 2065163 BCB02_000008 CCOC(=O)/C=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A09 compound treatment -2.765 -2.24 -1.98 -2.559 -2.03 -1.93 -1.927 -1.458565830721 -1.44066350780965 -3.0907 -0.9908 3093755 BCB02_000009 CCCCCCCCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A10 compound treatment -1.107 -0.585 -0.52 -1.013 -0.48 -0.46 -1.018 -0.549565830721003 -0.542820502703995 -0.8758 -0.9975 3000752 BCB02_000010 CCOC(=O)/C=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A11 compound treatment -0.74 -0.218 -0.19 -1.24 -0.707 -0.67 -1.206 -0.737565830721003 -0.728513005410115 -0.9205 -0.9108 3093756 BCB02_000011 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A12 compound treatment -1.456 -0.934 -0.83 -1.321 -0.788 -0.75 -1.435 -0.966565830721003 -0.954702277323422 -1.4611 -0.995 3000753 BCB02_000012 CCOC(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A13 compound treatment -2.265 -1.74 -1.54 -1.754 -1.22 -1.16 -1.446 -0.977565830721003 -0.965567264183886 -2.1185 -0.9815 3093757 BCB02_000013 COc1ccc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A14 compound treatment -0.363 0.159 0.14 -0.48 0.053 0.05 -0.337 0.131434169278997 0.129820956566579 0.1855 0.9361 3000754 BCB02_000014 CCOC(=O)/C=C/c1cccc(OC)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A15 compound treatment -0.387 0.135 0.12 -0.702 -0.169 -0.16 -0.542 -0.073565830721003 -0.0726628894693502 -0.0657 -0.3081 3093824 BCB02_000015 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A16 compound treatment -0.583 -0.0606 -0.05 -0.817 -0.284 -0.27 -0.759 -0.290565830721003 -0.286999448443968 -0.3528 -0.8864 3000755 BCB02_000016 CCOC(=O)/C=C/c1cccc(C)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A17 mock treatment -0.69 -0.168 -0.15 -0.619 -0.086 -0.08 -0.518 -0.049565830721003 -0.0489574635919732 -0.1611 -0.9141 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A18 mock treatment -0.597 -0.0746 -0.07 -0.634 -0.101 -0.1 -0.804 -0.335565830721003 -0.33144712196405 -0.2849 -0.811 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A19 mock treatment -0.518 0.00445 0.0 -0.344 0.189 0.18 -0.333 0.135434169278997 0.133771860879475 0.1835 0.8177 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A20 mock treatment -0.369 0.153 0.14 -0.451 0.082 0.08 -0.772 -0.303565830721003 -0.29983988746088 -0.0497 -0.1468 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A21 mock treatment -0.711 -0.189 -0.17 -0.616 -0.083 -0.08 -0.507 -0.038565830721003 -0.0380924767315087 -0.1639 -0.8699 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A22 mock treatment -0.379 0.143 0.13 -0.276 0.257 0.24 -0.323 0.145434169278997 0.143649121661715 0.2975 0.9569 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A23 mock treatment 0.013 0.535 0.47 -0.329 0.204 0.19 -0.303 0.165434169278997 0.163403643226196 0.4799 0.8933 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 A24 mock treatment -0.088 0.434 0.38 -0.013 0.52 0.5 -0.314 0.154434169278997 0.152538656365732 0.5959 0.9236 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B01 compound treatment 1.124 1.65 1.37 -0.623 -0.09 -0.09 -0.747 -0.278565830721003 -0.275146735505279 0.585 0.4167 3093825 BCB02_000017 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B02 compound treatment -0.563 -0.0406 -0.04 -0.864 -0.331 -0.32 -0.833 -0.364565830721003 -0.360091178232547 -0.4106 -0.8556 3000756 BCB02_000018 CCOC(=O)C1=CCC(N(CCN2CC(=CCC2c3cc4ccccc4[nH]3)C(=O)OCC)C1)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B03 compound treatment -1.937 -1.41 -1.25 -1.659 -1.13 -1.07 -2.158 -1.689565830721 -1.66882823187941 -2.3048 -0.9828 3093826 BCB02_000019 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B04 compound treatment -0.691 -0.169 -0.15 -0.649 -0.116 -0.11 -0.983 -0.514565830721003 -0.508250089966154 -0.4432 -0.8193 3000757 BCB02_000020 CC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B05 compound treatment -0.798 -0.276 -0.24 -0.52 0.013 0.01 -0.914 -0.445565830721003 -0.440096990568695 -0.3876 -0.7702 3093827 BCB02_000021 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(s5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B06 compound treatment -1.296 -0.774 -0.68 -1.414 -0.881 -0.84 -1.636 -1.167565830721 -1.15323521904645 -1.5452 -0.9769 3093828 BCB02_000022 Cc1ccc(cc1)[C@@H]2C[C@@H](Sc3ccccc3)[C@@H](CN2S(=O)(=O)c4ccc(C)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B07 compound treatment -0.444 0.0784 0.07 -0.467 0.066 0.06 -0.602 -0.133565830721003 -0.131926454162793 2.0E-4 0.0012 3000758 BCB02_000023 CC(C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B08 compound treatment -1.074 -0.552 -0.49 -1.226 -0.693 -0.66 -0.973 -0.504565830721003 -0.498372829183913 -0.9504 -0.9898 3093829 BCB02_000024 Cc1ccc(cc1)C2CC=C(CN2S(=O)(=O)c3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B09 compound treatment -1.014 -0.492 -0.43 -1.156 -0.623 -0.59 -1.107 -0.638565830721003 -0.630728123665935 -0.9577 -0.9884 3000759 BCB02_000025 CC(CC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(C)o5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B10 compound treatment -1.271 -0.749 -0.66 -1.468 -0.935 -0.89 -1.329 -0.860565830721003 -0.850003313031673 -1.3871 -0.9923 3093830 BCB02_000026 Cc1ccc(cc1)S(=O)(=O)N2CC(=CCC2c3ccccc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B11 compound treatment -0.837 -0.315 -0.28 -0.972 -0.439 -0.42 -0.781 -0.312565830721003 -0.308729422164897 -0.5802 -0.9843 3093831 BCB02_000027 OC(Cc1ccccc1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B12 compound treatment -0.845 -0.323 -0.29 -1.236 -0.703 -0.67 -0.844 -0.375565830721003 -0.370956165093011 -0.7654 -0.937 3000760 BCB02_000028 Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B13 compound treatment -1.352 -0.83 -0.73 -0.597 -0.064 -0.06 -1.489 -1.020565830721 -1.00803948554752 -1.0406 -0.8337 3093832 BCB02_000029 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B14 compound treatment -0.667 -0.145 -0.13 -0.89 -0.357 -0.34 -1.184 -0.715565830721003 -0.706783031689186 -0.6782 -0.8534 3093833 BCB02_000030 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B15 compound treatment -1.771 -1.25 -1.1 -1.291 -0.758 -0.72 -2.111 -1.642565830721 -1.62240510620288 -1.9909 -0.9521 3000761 BCB02_000031 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B16 compound treatment -0.866 -0.344 -0.3 -0.776 -0.243 -0.23 -1.22 -0.751565830721003 -0.742341170505252 -0.7376 -0.8835 3093834 BCB02_000032 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(C#N)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B17 mock treatment -0.192 0.33 0.29 0.086 0.619 0.59 -0.05 0.418434169278997 0.41329834101688 0.7478 0.9622 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B18 mock treatment -0.574 -0.0516 -0.05 -0.855 -0.322 -0.31 -0.119 0.349434169278997 0.34514524161942 -0.0041 -0.0089 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B19 mock treatment -0.237 0.285 0.25 -0.456 0.077 0.07 -0.349 0.119434169278997 0.11796824362789 0.2562 0.8893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B20 mock treatment -0.075 0.447 0.4 -0.525 0.00805 0.01 0.08 0.548434169278997 0.541702731186005 0.5456 0.8133 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B21 mock treatment -0.43 0.0924 0.08 -0.416 0.117 0.11 -0.462 0.00643416927899698 0.00635519678857331 0.1152 0.8326 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B22 mock treatment -0.286 0.236 0.21 -0.532 0.00105 0.0 -0.556 -0.087565830721003 -0.0864910545644869 0.0713 0.3153 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B23 mock treatment -0.195 0.327 0.29 -0.017 0.516 0.49 0.138 0.606434169278997 0.598990843723 0.7968 0.9632 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 B24 mock treatment -0.044 0.478 0.42 -0.406 0.127 0.12 -0.032 0.436434169278997 0.431077410424912 0.563 0.914 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C01 compound treatment -0.612 -0.0896 -0.08 -0.752 -0.219 -0.21 -0.847 -0.378565830721003 -0.373919343327684 -0.382 -0.8774 3093835 BCB02_000033 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C02 compound treatment -0.723 -0.201 -0.18 -0.5 0.033 0.03 -0.611 -0.142565830721003 -0.140815988866809 -0.1655 -0.7239 3000762 BCB02_000034 CCOC(=O)/C=C/c1ccccc1OC(=O)C#CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C03 compound treatment -0.815 -0.293 -0.26 -0.77 -0.237 -0.23 -1.0 -0.531565830721003 -0.525041433295962 -0.5828 -0.929 3000763 BCB02_000035 Cc1ccccc1C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C04 compound treatment -0.729 -0.207 -0.18 -0.719 -0.186 -0.18 -0.843 -0.374565830721003 -0.369968439014787 -0.4213 -0.9383 3093836 BCB02_000036 CCOC(=O)[C@H]1CC=C2[C@@H]1c3ccccc3OC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C05 compound treatment -0.855 -0.333 -0.29 -0.663 -0.13 -0.12 -0.623 -0.154565830721003 -0.152668701805498 -0.3294 -0.9313 3093837 BCB02_000037 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C06 compound treatment -1.701 -1.18 -1.04 -1.87 -1.34 -1.27 -1.444 -0.975565830721003 -0.963591812027438 -1.8932 -0.9928 3000764 BCB02_000038 CCOC(=O)[C@H]1CC=C2[C@@H]1c3cc(Br)ccc3OC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C07 compound treatment 0.467 0.989 0.87 -0.449 0.084 0.08 -0.406 0.062434169278997 0.0616678571691198 0.5869 0.6665 3093838 BCB02_000039 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C08 compound treatment -0.551 -0.0286 -0.03 -0.969 -0.436 -0.42 -0.6 -0.131565830721003 -0.129951002006345 -0.3294 -0.7556 3000765 BCB02_000040 CCOC(=O)/C=C/c1cc(Br)ccc1OC(=O)C#CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C09 compound treatment -0.371 0.151 0.13 -0.574 -0.041 -0.04 -0.513 -0.044565830721003 -0.0440188332008529 0.0294 0.2008 3093839 BCB02_000041 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C10 compound treatment -0.787 -0.265 -0.23 -0.903 -0.37 -0.35 -0.904 -0.435565830721003 -0.430219729786454 -0.5869 -0.9728 3000766 BCB02_000042 O=c1oc2ccccc2cc1C#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C11 compound treatment -0.657 -0.135 -0.12 -0.797 -0.264 -0.25 -0.765 -0.296565830721003 -0.292925804913312 -0.383 -0.9481 3093840 BCB02_000043 OC(C1CCC=CC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C12 compound treatment -1.168 -0.646 -0.57 -1.676 -1.14 -1.09 -1.308 -0.839565830721003 -0.829261065388968 -1.4369 -0.969 3000767 BCB02_000044 Cn1c2C3NC(C(=O)c2c4ccccc14)C(C)(C=C3)C(=O)OCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C13 compound treatment -0.576 -0.0536 -0.05 -0.7 -0.167 -0.16 -0.767 -0.298565830721003 -0.29490125706976 -0.2894 -0.8553 3093841 BCB02_000045 CC(=O)n1cc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C14 compound treatment -1.07 -0.548 -0.48 -0.932 -0.399 -0.38 -1.195 -0.726565830721003 -0.717648018549651 -0.9133 -0.966 3000768 BCB02_000046 [O-][N+](=O)c1ccccc1S(=O)(=O)N2C3CC=C(C2C(=O)c4c3[nH]c5ccccc45)C(=O)OCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C15 compound treatment -0.292 0.23 0.2 -1.033 -0.5 -0.48 -1.145 -0.676565830721003 -0.668261714638449 -0.5432 -0.6424 3093842 BCB02_000047 CCCCC(CC)C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C16 compound treatment -0.422 0.1 0.09 -0.532 0.00105 0.0 -0.41 0.058434169278997 0.0577169528562237 0.0852 0.8041 3093843 BCB02_000048 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C17 mock treatment -0.133 0.389 0.34 0.172 0.705 0.67 0.115 0.583434169278997 0.576273143923847 0.9193 0.9681 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C18 mock treatment 0.389 0.911 0.81 -0.584 -0.051 -0.05 -0.156 0.312434169278997 0.308599376725131 0.6154 0.712 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C19 mock treatment -0.169 0.353 0.31 -0.337 0.196 0.19 -0.616 -0.147565830721003 -0.145754619257929 0.2041 0.5205 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C20 mock treatment -0.474 0.0484 0.04 -0.312 0.221 0.21 -0.06 0.408434169278997 0.403421080234639 0.3792 0.8297 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C21 mock treatment -0.551 -0.0286 -0.03 -0.125 0.408 0.39 0.0 0.468434169278997 0.462684644928082 0.477 0.7886 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C22 mock treatment -0.653 -0.131 -0.12 0.484 1.02 0.97 -0.139 0.329434169278997 0.32539072005494 0.6806 0.6617 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C23 mock treatment -0.218 0.304 0.27 0.406 0.939 0.89 0.164 0.632434169278997 0.624671721756825 1.0325 0.9188 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 C24 mock treatment -0.198 0.324 0.29 -0.444 0.089 0.08 -0.306 0.162434169278997 0.160440464991524 0.3072 0.9051 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D01 compound treatment -0.021 0.501 0.44 -1.212 -0.679 -0.65 -0.493 -0.024565830721003 -0.024264311636372 -0.1315 -0.1676 3000769 BCB02_000049 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D02 compound treatment -0.651 -0.129 -0.11 -0.489 0.044 0.04 -0.795 -0.326565830721003 -0.322557587260033 -0.2276 -0.6606 3093844 BCB02_000050 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D03 compound treatment -0.433 0.0894 0.08 -0.729 -0.196 -0.19 -0.6 -0.131565830721003 -0.129951002006345 -0.1371 -0.5695 3093845 BCB02_000051 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D04 compound treatment -0.75 -0.228 -0.2 -0.554 -0.021 -0.02 -0.337 0.131434169278997 0.129820956566579 -0.0527 -0.2194 3000770 BCB02_000052 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2c3ccccc3)Sc4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D05 compound treatment -1.1 -0.578 -0.51 -0.671 -0.138 -0.13 -0.76 -0.291565830721003 -0.287987174522192 -0.5369 -0.8938 3093846 BCB02_000053 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D06 compound treatment -1.114 -0.592 -0.52 -0.745 -0.212 -0.2 -0.92 -0.451565830721003 -0.446023347038039 -0.676 -0.9437 3000771 BCB02_000054 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D07 compound treatment -0.873 -0.351 -0.31 -0.746 -0.213 -0.2 -0.146 0.322434169278997 0.318476637507371 -0.1122 -0.2297 3092586 BCB02_000055 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D08 compound treatment -0.6 -0.0776 -0.07 -0.524 0.00905 0.01 -0.565 -0.0965658307210029 -0.0953805892685032 -0.0897 -0.7614 3092495 BCB02_000056 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D09 compound treatment -0.341 0.181 0.16 0.056 0.589 0.56 0.05 0.518434169278997 0.512070948839284 0.7122 0.9173 3000772 BCB02_000057 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D10 compound treatment -0.829 -0.307 -0.27 -0.917 -0.384 -0.37 -0.152 0.316434169278997 0.312550281038027 -0.1872 -0.339 3092496 BCB02_000058 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D11 compound treatment -0.756 -0.234 -0.21 -0.579 -0.046 -0.04 -0.377 0.091434169278997 0.0903119134376171 -0.0923 -0.4022 3092497 BCB02_000059 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D12 compound treatment -1.235 -0.713 -0.63 -0.987 -0.454 -0.43 -0.812 -0.343565830721003 -0.339348930589842 -0.8093 -0.968 3000773 BCB02_000060 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D13 compound treatment -0.507 0.0154 0.01 -0.904 -0.371 -0.35 -0.988 -0.519565830721003 -0.513188720357274 -0.4924 -0.7901 3092498 BCB02_000061 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D14 compound treatment -0.952 -0.43 -0.38 -0.927 -0.394 -0.38 -1.071 -0.602565830721003 -0.595169984849869 -0.7796 -0.975 3000774 BCB02_000062 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D15 compound treatment -0.571 -0.0486 -0.04 -0.978 -0.445 -0.42 -0.943 -0.474565830721003 -0.468741046837192 -0.5401 -0.8527 3092499 BCB02_000063 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D16 compound treatment -0.663 -0.141 -0.12 -0.802 -0.269 -0.26 -0.718 -0.249565830721003 -0.246502679236782 -0.362 -0.9611 3000775 BCB02_000064 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D17 mock treatment -0.209 0.313 0.28 -0.226 0.307 0.29 -0.19 0.278434169278997 0.275016690065513 0.4877 0.9996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D18 mock treatment -0.013 0.509 0.45 -0.375 0.158 0.15 -0.163 0.305434169278997 0.301685294177563 0.5211 0.9263 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D19 mock treatment 0.093 0.615 0.54 -0.392 0.141 0.13 -0.363 0.105434169278997 0.104140078532754 0.4518 0.7926 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D20 mock treatment -0.3 0.222 0.2 0.859 1.39 1.33 -0.623 -0.154565830721003 -0.152668701805498 0.791 0.5863 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D21 mock treatment 0.46 0.982 0.87 -0.4 0.133 0.13 0.043 0.511434169278997 0.505156866291716 0.8663 0.8554 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D22 mock treatment -0.1 0.422 0.37 -0.514 0.019 0.02 -0.197 0.271434169278997 0.268102607517945 0.3809 0.8278 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D23 mock treatment -0.13 0.392 0.35 -0.228 0.305 0.29 0.75 1.218434169279 1.20347920359611 1.0629 0.8267 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 D24 mock treatment -0.398 0.124 0.11 -0.177 0.356 0.34 -0.581 -0.112565830721003 -0.111184206520088 0.1952 0.5225 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E01 compound treatment -1.352 -0.83 -0.73 -1.388 -0.855 -0.81 -1.314 -0.845565830721003 -0.835187421858312 -1.3759 -0.9985 3092500 BCB02_000065 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E02 compound treatment -1.311 -0.789 -0.7 -1.286 -0.753 -0.72 -1.237 -0.768565830721003 -0.759132513835061 -1.2549 -0.9994 3000776 BCB02_000066 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(CC)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E03 compound treatment -0.667 -0.145 -0.13 -0.95 -0.417 -0.4 -0.825 -0.356565830721003 -0.352189369606755 -0.5065 -0.9275 3000847 BCB02_000067 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E04 compound treatment -0.976 -0.454 -0.4 -1.012 -0.479 -0.46 -0.826 -0.357565830721003 -0.353177095684979 -0.6988 -0.9946 3000848 BCB02_000068 CCOC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(CC)C2=O)Sc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E05 compound treatment -0.306 0.216 0.19 -0.71 -0.177 -0.17 -0.729 -0.260565830721003 -0.257367666097246 -0.1354 -0.3738 3000849 BCB02_000069 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(Br)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E06 compound treatment -1.712 -1.19 -1.05 -1.217 -0.684 -0.65 -1.106 -0.637565830721003 -0.629740397587711 -1.347 -0.9703 3000850 BCB02_000070 OC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E07 compound treatment -1.509 -0.987 -0.87 -1.103 -0.57 -0.54 -1.238 -0.769565830721003 -0.760120239913285 -1.2559 -0.9827 3000851 BCB02_000071 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E08 compound treatment -1.378 -0.856 -0.76 -1.405 -0.872 -0.83 -1.333 -0.864565830721003 -0.853954217344569 -1.4093 -0.9987 3092501 BCB02_000072 OC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3)Sc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E09 compound treatment -1.838 -1.32 -1.16 -1.862 -1.33 -1.27 -1.584 -1.115565830721 -1.1018734629788 -2.0386 -0.9983 3000852 BCB02_000073 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E10 compound treatment -1.327 -0.805 -0.71 -0.795 -0.262 -0.25 -1.203 -0.734565830721003 -0.725549827175443 -0.9736 -0.9306 3092502 BCB02_000074 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E11 compound treatment -1.208 -0.686 -0.61 -1.544 -1.01 -0.96 -1.691 -1.222565830721 -1.20756015334878 -1.6032 -0.9662 3092503 BCB02_000075 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E12 compound treatment -1.263 -0.741 -0.65 -1.167 -0.634 -0.6 -1.27 -0.801565830721003 -0.791727474416454 -1.1838 -0.9933 3000853 BCB02_000076 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E13 compound treatment -1.459 -0.937 -0.83 -1.443 -0.91 -0.87 -1.59 -1.121565830721 -1.10779981944815 -1.6181 -0.9913 3092504 BCB02_000077 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E14 compound treatment -1.011 -0.489 -0.43 -1.011 -0.478 -0.46 -0.861 -0.392565830721003 -0.38774750842282 -0.7361 -0.9978 3000854 BCB02_000078 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E15 compound treatment -0.346 0.176 0.16 -1.186 -0.653 -0.62 -0.982 -0.513565830721003 -0.50726236388793 -0.5619 -0.6872 3092505 BCB02_000079 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E16 compound treatment -1.113 -0.591 -0.52 -1.167 -0.634 -0.6 -1.373 -0.904565830721003 -0.893463260473531 -1.166 -0.9731 3000855 BCB02_000080 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E17 mock treatment -0.155 0.367 0.32 0.169 0.702 0.67 -0.408 0.060434169278997 0.0596924050126717 0.6082 0.8153 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E18 mock treatment -0.794 -0.272 -0.24 -0.652 -0.119 -0.11 -0.596 -0.127565830721003 -0.126000097693449 -0.2768 -0.9419 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E19 mock treatment -0.473 0.0494 0.04 -0.213 0.32 0.3 -0.585 -0.116565830721003 -0.115135110832984 0.1348 0.4099 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E20 mock treatment -0.338 0.184 0.16 -0.486 0.047 0.04 -0.558 -0.089565830721003 -0.088466506720935 0.0689 0.3613 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E21 mock treatment -0.55 -0.0276 -0.02 -0.849 -0.316 -0.3 -0.639 -0.170565830721003 -0.168472319057082 -0.2851 -0.8245 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E22 mock treatment -0.344 0.178 0.16 -0.455 0.078 0.07 0.216 0.684434169278997 0.676033477824475 0.5243 0.751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E23 mock treatment -0.452 0.0704 0.06 -0.44 0.093 0.09 -0.187 0.281434169278997 0.277979868300185 0.2476 0.83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 E24 mock treatment -0.161 0.361 0.32 -0.36 0.173 0.16 -0.043 0.425434169278997 0.420212423564448 0.5223 0.9444 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F01 compound treatment -1.083 -0.561 -0.5 -0.197 0.336 0.32 -1.072 -0.603565830721003 -0.596157710928094 -0.4455 -0.5311 3092506 BCB02_000081 OC(COCc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F02 compound treatment -1.212 -0.69 -0.61 -1.024 -0.491 -0.47 -1.269 -0.800565830721003 -0.79073974833823 -1.0785 -0.9782 3092507 BCB02_000082 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F03 compound treatment -2.088 -1.57 -1.38 -1.583 -1.05 -1.0 -2.356 -1.887565830721 -1.86439799536777 -2.453 -0.9702 3000856 BCB02_000083 COc1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F04 compound treatment -0.969 -0.447 -0.39 -0.32 0.213 0.2 -1.186 -0.717565830721003 -0.708758483845634 -0.52 -0.6217 3092508 BCB02_000084 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F05 compound treatment -1.673 -1.15 -1.02 -0.987 -0.454 -0.43 -1.189 -0.720565830721003 -0.711721662080307 -1.2479 -0.9492 3092509 BCB02_000085 CCCCC(O)C1C=CC2C(N1Nc3ccc(OC)cc3)C(=O)N(C4CCCCC4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F06 compound treatment -1.077 -0.555 -0.49 -1.267 -0.734 -0.7 -1.25 -0.781565830721003 -0.771972952851973 -1.1324 -0.9837 3000857 BCB02_000086 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F07 compound treatment -1.443 -0.921 -0.81 -1.65 -1.12 -1.06 -0.655 -0.186565830721003 -0.184275936308667 -1.1906 -0.8805 3092510 BCB02_000087 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F08 compound treatment -1.11 -0.588 -0.52 -1.59 -1.06 -1.01 -0.812 -0.343565830721003 -0.339348930589842 -1.0772 -0.9107 3000858 BCB02_000088 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(Cl)c(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F09 compound treatment -1.162 -0.64 -0.57 -1.141 -0.608 -0.58 -1.028 -0.559565830721003 -0.552697763486236 -0.9799 -0.9998 3092511 BCB02_000089 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F10 compound treatment -0.554 -0.0316 -0.03 1.152 1.69 1.5 -1.059 -0.590565830721003 -0.583317271911181 0.5111 0.3182 3000859 BCB02_000090 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F11 compound treatment -1.072 -0.55 -0.49 -1.327 -0.794 -0.76 -1.219 -0.750565830721003 -0.741353444427028 -1.1452 -0.9828 3092512 BCB02_000091 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F12 compound treatment -0.533 -0.0106 -0.01 -0.972 -0.439 -0.42 -0.901 -0.432565830721003 -0.427256551551782 -0.4935 -0.8254 3092513 BCB02_000092 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F13 compound treatment -0.153 0.369 0.33 -0.867 -0.334 -0.32 -0.988 -0.519565830721003 -0.513188720357274 -0.2914 -0.4245 3000860 BCB02_000093 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F14 compound treatment -1.36 -0.838 -0.74 -0.988 -0.455 -0.43 -1.405 -0.936565830721003 -0.9250704949767 -1.2118 -0.9605 3092514 BCB02_000094 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F15 compound treatment -1.582 -1.06 -0.94 -1.31 -0.777 -0.74 -1.718 -1.249565830721 -1.23422875746083 -1.6808 -0.9788 3092515 BCB02_000095 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F16 compound treatment -1.015 -0.493 -0.44 -0.455 0.078 0.07 -1.105 -0.636565830721003 -0.628752671509487 -0.5715 -0.7437 3000861 BCB02_000096 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(F)(F)F)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F17 mock treatment -0.562 -0.0396 -0.03 -0.137 0.396 0.38 -0.343 0.125434169278997 0.123894600097235 0.2692 0.6752 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F18 mock treatment 0.423 0.945 0.84 -0.484 0.049 0.05 0.259 0.727434169278997 0.718505699188109 0.9244 0.8379 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F19 mock treatment -0.032 0.49 0.43 -0.328 0.205 0.2 -0.319 0.149434169278997 0.147600025974612 0.4483 0.9004 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F20 mock treatment -0.356 0.166 0.15 -0.361 0.172 0.16 0.071 0.539434169278997 0.532813196481989 0.4872 0.845 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F21 mock treatment -0.416 0.106 0.09 -0.676 -0.143 -0.14 -0.429 0.039434169278997 0.0389501573699668 -0.0018 -0.0106 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F22 mock treatment -0.342 0.18 0.16 -0.485 0.048 0.05 -0.287 0.181434169278997 0.179207260477781 0.222 0.9089 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F23 mock treatment -0.595 -0.0726 -0.06 -0.302 0.231 0.22 -0.484 -0.015565830721003 -0.0153747769323556 0.0812 0.3532 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 F24 mock treatment -0.053 0.469 0.42 -0.384 0.149 0.14 0.209 0.677434169278997 0.669119395276907 0.7079 0.8848 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G01 compound treatment -0.865 -0.343 -0.3 -1.413 -0.88 -0.84 -1.506 -1.037565830721 -1.02483082887733 -1.2505 -0.9207 3092516 BCB02_000097 CC(C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G02 compound treatment -1.056 -0.534 -0.47 -0.848 -0.315 -0.3 -1.024 -0.555565830721003 -0.548746859173339 -0.7624 -0.9732 3000862 BCB02_000098 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2C)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G03 compound treatment -2.0 -1.48 -1.31 -2.231 -1.7 -1.62 -2.705 -2.236565830721 -2.20911439666796 -2.9635 -0.9769 3092587 BCB02_000099 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G04 compound treatment -0.409 0.113 0.1 -0.978 -0.445 -0.42 -1.281 -0.812565830721003 -0.802592461276919 -0.6502 -0.712 3000863 BCB02_000100 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)C[Si](C)(C)C)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G05 compound treatment -1.063 -0.541 -0.48 -1.0 -0.467 -0.44 -0.984 -0.515565830721003 -0.509237816044378 -0.8268 -0.9985 3092588 BCB02_000101 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G06 compound treatment -1.238 -0.716 -0.63 -1.558 -1.02 -0.98 -1.056 -0.587565830721003 -0.580354093676509 -1.264 -0.9722 3092589 BCB02_000102 CCOC(=O)C1=CC[C@H](N([C@H]1/C=C/c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G07 compound treatment -0.697 -0.175 -0.15 -0.684 -0.151 -0.14 -0.931 -0.462565830721003 -0.456888333898503 -0.4359 -0.8662 3000864 BCB02_000103 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G08 compound treatment -0.631 -0.109 -0.1 -1.406 -0.873 -0.83 -0.795 -0.326565830721003 -0.322557587260033 -0.7218 -0.8045 3092590 BCB02_000104 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4cccc(Cl)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G09 compound treatment -0.602 -0.0796 -0.07 -1.208 -0.675 -0.64 -0.836 -0.367565830721003 -0.363054356467219 -0.6215 -0.8378 3092591 BCB02_000105 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G10 compound treatment -0.673 -0.151 -0.13 -0.712 -0.179 -0.17 -0.865 -0.396565830721003 -0.391698412735716 -0.4014 -0.8971 3000865 BCB02_000106 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2I)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G11 compound treatment -0.226 0.296 0.26 -1.132 -0.599 -0.57 -0.816 -0.347565830721003 -0.343299834902738 -0.3763 -0.5259 3092592 BCB02_000107 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccn5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G12 compound treatment -0.41 0.112 0.1 -1.507 -0.974 -0.93 -1.319 -0.850565830721003 -0.840126052249432 -0.9633 -0.7672 3000866 BCB02_000108 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G13 compound treatment -0.863 -0.341 -0.3 -1.214 -0.681 -0.65 -1.145 -0.676565830721003 -0.668261714638449 -0.9342 -0.9544 3092593 BCB02_000109 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G14 compound treatment -0.887 -0.365 -0.32 -0.857 -0.324 -0.31 -0.895 -0.426565830721003 -0.421330195082438 -0.6075 -0.9899 3000867 BCB02_000110 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G15 compound treatment -1.973 -1.45 -1.28 -1.463 -0.93 -0.89 -2.274 -1.805565830721 -1.78340445695339 -2.2815 -0.9633 3092594 BCB02_000111 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G16 compound treatment -1.183 -0.661 -0.58 -1.663 -1.13 -1.08 -1.983 -1.514565830721 -1.4959761681902 -1.8224 -0.9426 3092595 BCB02_000112 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(SC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCc5ccccc5)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G17 mock treatment -0.077 0.445 0.39 0.036 0.569 0.54 -0.308 0.160434169278997 0.158465012835076 0.6318 0.9177 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G18 mock treatment -0.4 0.122 0.11 -0.185 0.348 0.33 -0.161 0.307434169278997 0.303660746334011 0.4293 0.9282 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G19 mock treatment -0.47 0.0524 0.05 -0.595 -0.062 -0.06 -0.544 -0.075565830721003 -0.0746383416257983 -0.0504 -0.4761 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G20 mock treatment -0.451 0.0714 0.06 0.119 0.652 0.62 -0.269 0.199434169278997 0.196986329885814 0.5088 0.7772 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G21 mock treatment -0.097 0.425 0.38 -0.246 0.287 0.27 -0.1 0.368434169278997 0.363912037105677 0.5851 0.9909 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G22 mock treatment -0.065 0.457 0.4 0.167 0.7 0.67 -0.041 0.427434169278997 0.422187875720896 0.8623 0.9723 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G23 mock treatment 0.293 0.815 0.72 -0.333 0.2 0.19 -0.1 0.368434169278997 0.363912037105677 0.7364 0.8874 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 G24 mock treatment -0.382 0.14 0.12 -0.754 -0.221 -0.21 -0.474 -0.00556583072100297 -0.00549751615011517 -0.053 -0.2169 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H01 compound treatment -0.172 0.35 0.31 -0.771 -0.238 -0.23 -1.025 -0.556565830721003 -0.549734585251563 -0.2694 -0.4018 3000868 BCB02_000113 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H02 compound treatment -0.494 0.0284 0.03 -0.957 -0.424 -0.4 -0.387 0.081434169278997 0.0804346526553766 -0.1722 -0.4174 3092596 BCB02_000114 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(C)C)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H03 compound treatment -1.015 -0.493 -0.44 -0.716 -0.183 -0.17 -1.321 -0.852565830721003 -0.842101504405881 -0.8382 -0.8696 3092597 BCB02_000115 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H04 compound treatment 0.017 0.539 0.48 -0.232 0.301 0.29 0.57 1.038434169279 1.02568850951579 1.0331 0.8853 3000869 BCB02_000116 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccccc2F)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H05 compound treatment -0.439 0.0834 0.07 -0.622 -0.089 -0.08 -0.566 -0.0975658307210029 -0.0963683153467272 -0.062 -0.4187 3092598 BCB02_000117 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H06 compound treatment -0.466 0.0564 0.05 -0.952 -0.419 -0.4 -0.839 -0.370565830721003 -0.366017534701891 -0.4129 -0.7593 3000870 BCB02_000118 CCOC(=O)C1=C[C@@H](CC)N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H07 compound treatment -0.891 -0.369 -0.33 -0.615 -0.082 -0.08 0.066 0.534434169278997 0.527874566090869 0.0716 0.1145 3000871 BCB02_000119 O=c1cccc(o1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H08 compound treatment -0.725 -0.203 -0.18 -1.196 -0.663 -0.63 -0.516 -0.047565830721003 -0.0469820114355251 -0.4951 -0.7523 3092599 BCB02_000120 CCOC(=O)C1=CCN(C1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H09 compound treatment -0.347 0.175 0.16 -0.824 -0.291 -0.28 -0.076 0.392434169278997 0.387617462983054 0.1533 0.3059 3000872 BCB02_000121 COc1cccc(c1)c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H10 compound treatment -0.978 -0.456 -0.4 -0.91 -0.377 -0.36 -0.615 -0.146565830721003 -0.144766893179705 -0.5234 -0.9369 3092600 BCB02_000122 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H11 compound treatment -0.442 0.0804 0.07 -0.538 -0.00495 0.0 0.0 0.468434169278997 0.462684644928082 0.3055 0.6525 1984103 BCB02_000123 Cc1ccc(cc1)c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H12 compound treatment -1.313 -0.791 -0.7 -0.951 -0.418 -0.4 -0.86 -0.391565830721003 -0.386759782344596 -0.8567 -0.9599 3092601 BCB02_000124 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H13 compound treatment -0.462 0.0604 0.05 -0.487 0.046 0.04 -0.532 -0.063565830721003 -0.0627856286871098 0.0199 0.2134 3000873 BCB02_000125 Clc1cccc(c1)c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H14 compound treatment -0.632 -0.11 -0.1 0.08 0.613 0.58 -0.747 -0.278565830721003 -0.275146735505279 0.1224 0.1875 3000874 BCB02_000126 Cc1ccc(cc1)[C@@H]2N(CC=C2C(=O)O)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H15 compound treatment 3.145 3.67 1.62 -0.173 0.36 0.34 0.265 0.733434169278997 0.724432055657453 1.5513 0.8585 3000875 BCB02_000127 Clc1ccccc1c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H16 compound treatment -0.763 -0.241 -0.21 -0.803 -0.27 -0.26 -1.19 -0.721565830721003 -0.712709388158531 -0.6827 -0.8676 3092602 BCB02_000128 C[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H17 mock treatment -0.416 0.106 0.09 -0.432 0.101 0.1 -0.225 0.243434169278997 0.240446277327672 0.2487 0.9026 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H18 mock treatment -0.368 0.154 0.14 -0.288 0.245 0.23 -0.358 0.110434169278997 0.109078708923874 0.2766 0.9485 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H19 mock treatment -0.269 0.253 0.22 0.393 0.926 0.88 -0.922 -0.453565830721003 -0.447998799194487 0.3801 0.3746 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H20 mock treatment -0.593 -0.0706 -0.06 -0.448 0.085 0.08 -0.407 0.061434169278997 0.0606801310908958 0.0458 0.3852 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H21 mock treatment -0.033 0.489 0.43 -0.325 0.208 0.2 -0.187 0.281434169278997 0.277979868300185 0.5248 0.952 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H22 mock treatment 0.941 1.46 1.29 -0.172 0.361 0.34 -0.037 0.431434169278997 0.426138780033792 1.1916 0.8481 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H23 mock treatment -0.158 0.364 0.32 -0.324 0.209 0.2 -0.487 -0.018565830721003 -0.0183379551670278 0.2904 0.7658 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 H24 mock treatment -0.233 0.289 0.26 0.0 0.533 0.51 0.14 0.608434169278997 0.600966295879448 0.7879 0.9523 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I01 compound treatment -1.321 -0.799 -0.71 -1.239 -0.706 -0.67 -1.4 -0.931565830721003 -0.92013186458558 -1.3271 -0.9899 3092603 BCB02_000129 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I02 compound treatment -1.532 -1.01 -0.89 -1.315 -0.782 -0.74 -1.467 -0.998565830721003 -0.986309511826591 -1.5148 -0.9936 3000947 BCB02_000130 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I03 compound treatment -1.264 -0.742 -0.66 -1.441 -0.908 -0.86 -1.018 -0.549565830721003 -0.542820502703995 -1.1913 -0.9817 3000948 BCB02_000131 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I04 compound treatment -1.052 -0.53 -0.47 -0.935 -0.402 -0.38 -1.0 -0.531565830721003 -0.525041433295962 -0.7945 -0.992 3000949 BCB02_000132 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4cccc(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I05 compound treatment -0.918 -0.396 -0.35 -1.724 -1.19 -1.13 -1.5 -1.031565830721 -1.01890447240798 -1.4452 -0.9237 3000950 BCB02_000133 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I06 compound treatment -1.869 -1.35 -1.19 -2.0 -1.47 -1.4 -1.702 -1.233565830721 -1.21842514020924 -2.1976 -0.9974 3000951 BCB02_000134 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I07 compound treatment -1.102 -0.58 -0.51 -0.852 -0.319 -0.3 -1.295 -0.826565830721003 -0.816420626372055 -0.9426 -0.9327 3092604 BCB02_000135 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I08 compound treatment -0.937 -0.415 -0.37 -1.181 -0.648 -0.62 -1.429 -0.960565830721003 -0.948775920854077 -1.1158 -0.9378 3000952 BCB02_000136 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I09 compound treatment -1.189 -0.667 -0.59 -1.254 -0.721 -0.69 -1.163 -0.694565830721003 -0.686040784046482 -1.1329 -0.9976 3092605 BCB02_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I10 compound treatment -1.191 -0.669 -0.59 -1.198 -0.665 -0.63 -1.03 -0.561565830721003 -0.554673215642684 -1.0272 -0.9985 3092606 BCB02_000138 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(F)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I11 compound treatment -1.044 -0.522 -0.46 -1.402 -0.869 -0.83 -1.449 -0.980565830721003 -0.968530442418558 -1.3033 -0.9619 3000953 BCB02_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I12 compound treatment -1.382 -0.86 -0.76 -0.976 -0.443 -0.42 -1.471 -1.002565830721 -0.990260416139487 -1.2541 -0.9518 3092607 BCB02_000140 CCOC(=O)[C@@H]1N([C@@H](CC=C1C(=O)OCC)c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I13 compound treatment -0.568 -0.0456 -0.04 -0.762 -0.229 -0.22 -0.69 -0.221565830721003 -0.218846349046509 -0.2755 -0.8843 3092678 BCB02_000141 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I14 compound treatment -1.152 -0.63 -0.56 -0.928 -0.395 -0.38 -1.351 -0.882565830721003 -0.871733286752602 -1.0419 -0.9467 3000954 BCB02_000142 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I15 compound treatment -0.784 -0.262 -0.23 -1.016 -0.483 -0.46 -0.917 -0.448565830721003 -0.443060168803367 -0.6549 -0.9641 3092679 BCB02_000143 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I16 compound treatment -1.254 -0.732 -0.65 -1.385 -0.852 -0.81 -1.458 -0.989565830721003 -0.977419977122575 -1.4063 -0.9865 3000955 BCB02_000144 CCOC(=O)C1=CC[C@H](N([C@H]1C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I17 mock treatment -0.141 0.381 0.34 0.361 0.894 0.85 -0.205 0.263434169278997 0.260200798892153 0.8367 0.8786 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I18 mock treatment -0.695 -0.173 -0.15 -0.552 -0.019 -0.02 -0.333 0.135434169278997 0.133771860879475 -0.0213 -0.1044 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I19 mock treatment -0.277 0.245 0.22 -0.475 0.058 0.06 -0.362 0.106434169278997 0.105127804610978 0.2179 0.8808 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I20 mock treatment -0.297 0.225 0.2 -0.466 0.067 0.06 -0.32 0.148434169278997 0.146612299896388 0.2366 0.9259 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I21 mock treatment -0.015 0.507 0.45 -0.293 0.24 0.23 0.391 0.859434169278997 0.848885541513683 0.8812 0.8928 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I22 mock treatment -0.192 0.33 0.29 -0.314 0.219 0.21 0.139 0.607434169278997 0.599978569801224 0.6355 0.909 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I23 mock treatment -0.02 0.502 0.44 -0.106 0.427 0.41 -0.09 0.378434169278997 0.373789297887918 0.7072 0.9975 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 I24 mock treatment 0.164 0.686 0.61 -0.212 0.321 0.31 -0.059 0.409434169278997 0.404408806312863 0.7605 0.9616 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J01 compound treatment -0.267 0.255 0.23 0.468 1.0 0.95 -0.222 0.246434169278997 0.243409455562344 0.8215 0.8135 3000956 BCB02_000145 CCCc1cccc(=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J02 compound treatment -0.97 -0.448 -0.4 -1.103 -0.57 -0.54 -1.61 -1.141565830721 -1.12755434101263 -1.1929 -0.9089 3092680 BCB02_000146 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J03 compound treatment -0.875 -0.353 -0.31 -0.786 -0.253 -0.24 -1.056 -0.587565830721003 -0.580354093676509 -0.6542 -0.9326 3000957 BCB02_000147 Fc1ccc(cc1)c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J04 compound treatment -1.413 -0.891 -0.79 -1.077 -0.544 -0.52 -1.441 -0.972565830721003 -0.960628633792766 -1.3084 -0.9722 3092681 BCB02_000148 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J05 compound treatment -0.49 0.0324 0.03 -0.397 0.136 0.13 -0.622 -0.153565830721003 -0.151680975727274 0.0038 0.0189 3000958 BCB02_000149 O=c1cccc(o1)c2ccc(C#N)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J06 compound treatment -1.491 -0.969 -0.86 -1.815 -1.28 -1.22 -0.312 0.156434169278997 0.15451410852218 -1.1103 -0.7404 3000959 BCB02_000150 CC(C)[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J07 compound treatment -0.603 -0.0806 -0.07 -0.802 -0.269 -0.26 -0.805 -0.336565830721003 -0.332434848042274 -0.381 -0.8949 3092682 BCB02_000151 FC(F)(F)c1ccc(cc1)c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J08 compound treatment -1.194 -0.672 -0.59 -1.734 -1.2 -1.14 -0.844 -0.375565830721003 -0.370956165093011 -1.2175 -0.9077 3092683 BCB02_000152 Cc1ccc(cc1)[C@@H]2N([C@@H](C=C2C(=O)O)C(C)(C)C)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J09 compound treatment -1.354 -0.832 -0.74 -1.507 -0.974 -0.93 -1.213 -0.744565830721003 -0.735427087957684 -1.3847 -0.9936 3000960 BCB02_000153 FC(F)(F)c1ccccc1c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J10 compound treatment -1.333 -0.811 -0.72 -1.75 -1.22 -1.16 -1.127 -0.658565830721003 -0.650482645230416 -1.4586 -0.9659 3092684 BCB02_000154 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J11 compound treatment -0.625 -0.103 -0.09 -0.517 0.016 0.02 -0.281 0.187434169278997 0.185133616947125 0.0634 0.3065 3000961 BCB02_000155 O=c1cccc(o1)c2ccc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J12 compound treatment -0.548 -0.0256 -0.02 -0.827 -0.294 -0.28 -0.886 -0.417565830721003 -0.412440660378421 -0.4128 -0.8273 3000962 BCB02_000156 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J13 compound treatment 0.566 1.09 0.96 -0.73 -0.197 -0.19 -0.658 -0.189565830721003 -0.187239114543339 0.3392 0.3398 3092685 BCB02_000157 O=c1cccc(o1)c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J14 compound treatment -1.129 -0.607 -0.54 -1.033 -0.5 -0.48 -1.372 -0.903565830721003 -0.892475534395307 -1.0999 -0.9606 3092686 BCB02_000158 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J15 compound treatment -0.776 -0.254 -0.22 -0.859 -0.326 -0.31 -0.662 -0.193565830721003 -0.191190018856236 -0.4191 -0.9791 3000963 BCB02_000159 O=c1cccc(CCc2ccccc2)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J16 compound treatment -1.032 -0.51 -0.45 -0.855 -0.322 -0.31 -1.3 -0.831565830721003 -0.821359256763176 -0.9114 -0.9246 3092687 BCB02_000160 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J17 mock treatment -0.333 0.189 0.17 -0.299 0.234 0.22 0.114 0.582434169278997 0.575285417845623 0.5576 0.8721 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J18 mock treatment -0.733 -0.211 -0.19 -0.942 -0.409 -0.39 -0.164 0.304434169278997 0.300697568099339 -0.1588 -0.3018 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J19 mock treatment -0.355 0.167 0.15 0.629 1.16 1.11 -0.083 0.385434169278997 0.380703380435486 0.9444 0.8004 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J20 mock treatment -0.357 0.165 0.15 -0.571 -0.038 -0.04 -0.01 0.458434169278997 0.452807384145841 0.325 0.681 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J21 mock treatment -0.165 0.357 0.32 -0.387 0.146 0.14 -0.28 0.188434169278997 0.186121343025349 0.3702 0.9439 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J22 mock treatment -0.325 0.197 0.17 -0.42 0.113 0.11 -0.437 0.031434169278997 0.0310483487441744 0.1809 0.872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J23 mock treatment -0.337 0.185 0.16 -0.234 0.299 0.28 -0.295 0.173434169278997 0.171305451851989 0.358 0.966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 J24 mock treatment -0.411 0.111 0.1 -0.822 -0.289 -0.28 -0.537 -0.068565830721003 -0.06772425907823 -0.1411 -0.4703 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K01 compound treatment -0.874 -0.352 -0.31 -0.752 -0.219 -0.21 -1.06 -0.591565830721003 -0.584304997989405 -0.6372 -0.9183 3000964 BCB02_000161 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K02 compound treatment -0.821 -0.299 -0.26 -0.753 -0.22 -0.21 -1.187 -0.718565830721003 -0.709746209923859 -0.6831 -0.8695 3092688 BCB02_000162 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccncc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K03 compound treatment -1.013 -0.491 -0.43 -0.848 -0.315 -0.3 -1.268 -0.799565830721003 -0.789752022260006 -0.8796 -0.9262 3092689 BCB02_000163 CC(C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K04 compound treatment -1.159 -0.637 -0.56 -1.233 -0.7 -0.67 -1.344 -0.875565830721003 -0.864819204205034 -1.2092 -0.9843 3000965 BCB02_000164 CCOC(=O)C1=CC[C@H](N([C@H]1C=C(C)C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K05 compound treatment -0.343 0.179 0.16 -0.298 0.235 0.22 -0.203 0.265434169278997 0.262176251048601 0.3722 0.9808 3092690 BCB02_000165 CC(CC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K06 compound treatment -1.506 -0.984 -0.87 -1.419 -0.886 -0.84 -1.522 -1.053565830721 -1.04063444612891 -1.5901 -0.9955 3000966 BCB02_000166 CCOC(=O)C1=CC[C@H](N([C@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K07 compound treatment -0.343 0.179 0.16 -0.297 0.236 0.22 -0.789 -0.320565830721003 -0.316631230790689 0.0386 0.0921 3092691 BCB02_000167 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K08 compound treatment -0.468 0.0544 0.05 -1.31 -0.777 -0.74 -0.333 0.135434169278997 0.133771860879475 -0.3223 -0.4276 3092692 BCB02_000168 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K09 compound treatment -0.469 0.0534 0.05 -0.924 -0.391 -0.37 -0.522 -0.053565830721003 -0.0529083679048693 -0.2183 -0.5758 3000967 BCB02_000169 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K10 compound treatment -0.565 -0.0426 -0.04 -0.647 -0.114 -0.11 -0.746 -0.277565830721003 -0.274159009427055 -0.2427 -0.8164 3092693 BCB02_000170 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K11 compound treatment -1.227 -0.705 -0.62 -1.176 -0.643 -0.61 -0.973 -0.504565830721003 -0.498372829183913 -1.001 -0.9953 3000968 BCB02_000171 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K12 compound treatment -0.717 -0.195 -0.17 -1.984 -1.45 -1.38 -1.368 -0.899565830721003 -0.888524630082411 -1.4103 -0.8536 3092694 BCB02_000172 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K13 compound treatment 0.076 0.598 0.53 -0.649 -0.116 -0.11 -0.651 -0.182565830721003 -0.180325031995771 0.1376 0.2415 3092695 BCB02_000173 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K14 compound treatment -0.315 0.207 0.18 -1.074 -0.541 -0.52 -1.292 -0.823565830721003 -0.813457448137383 -0.6613 -0.6746 3000969 BCB02_000174 CCOC(=O)C1=CC[C@H](N([C@H]1C=C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K15 compound treatment -1.091 -0.569 -0.5 -0.9 -0.367 -0.35 -1.114 -0.645565830721003 -0.637642206213503 -0.8602 -0.9731 3092696 BCB02_000175 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K16 compound treatment -2.014 -1.49 -1.32 -2.059 -1.53 -1.45 -2.437 -1.968565830721 -1.94440380770391 -2.7232 -0.9857 3000970 BCB02_000176 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)N(CC)CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K17 mock treatment 0.029 0.551 0.49 0.0 0.533 0.51 -0.08 0.388434169278997 0.383666558670158 0.7962 0.9931 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K18 mock treatment -0.593 -0.0706 -0.06 0.291 0.824 0.79 -0.667 -0.198565830721003 -0.196128649247356 0.304 0.3746 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K19 mock treatment -0.113 0.409 0.36 -0.667 -0.134 -0.13 -0.354 0.114434169278997 0.11302961323677 0.2006 0.5013 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K20 mock treatment 0.31 0.832 0.74 -0.323 0.21 0.2 0.383 0.851434169278997 0.840983732887891 1.026 0.9037 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K21 mock treatment -0.171 0.351 0.31 -0.388 0.145 0.14 0.043 0.511434169278997 0.505156866291716 0.5508 0.9045 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K22 mock treatment 0.19 0.712 0.63 -0.197 0.336 0.32 -0.108 0.360434169278997 0.356010228479885 0.754 0.953 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K23 mock treatment 0.048 0.57 0.5 -0.318 0.215 0.2 -0.099 0.369434169278997 0.364899763183901 0.6201 0.9463 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 K24 mock treatment -0.049 0.473 0.42 -0.679 -0.146 -0.14 -0.233 0.235434169278997 0.232544468701879 0.2956 0.5929 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L01 compound treatment -0.052 0.47 0.42 -0.134 0.399 0.38 -0.337 0.131434169278997 0.129820956566579 0.5346 0.9245 3000971 BCB02_000177 [O-][N+](=O)c1ccc(cc1)c2cccc(=O)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L02 compound treatment -0.511 0.0114 0.01 -0.812 -0.279 -0.27 -0.856 -0.387565830721003 -0.3828088780317 -0.3686 -0.7908 3092697 BCB02_000178 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L03 compound treatment -0.062 0.46 0.41 -0.267 0.266 0.25 -0.149 0.319434169278997 0.315513459272699 0.5635 0.9817 3000972 BCB02_000179 O=c1cccc(/C=C/c2ccccc2)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L04 compound treatment -0.444 0.0784 0.07 -0.28 0.253 0.24 -0.15 0.318434169278997 0.314525733194475 0.3608 0.8969 3092698 BCB02_000180 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccco3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L05 compound treatment -0.662 -0.14 -0.12 -0.821 -0.288 -0.27 -0.72 -0.251565830721003 -0.24847813139323 -0.3731 -0.9562 3000973 BCB02_000181 O=c1cccc(o1)c2cccc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L06 compound treatment -0.449 0.0734 0.06 -0.196 0.337 0.32 -0.806 -0.337565830721003 -0.333422574120498 0.0304 0.065 3092699 BCB02_000182 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L07 compound treatment -0.888 -0.366 -0.32 -1.917 -1.38 -1.32 -0.9 -0.431565830721003 -0.426268825473558 -1.1939 -0.8391 3000974 BCB02_000183 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L08 compound treatment -0.648 -0.126 -0.11 -0.515 0.018 0.02 -0.782 -0.313565830721003 -0.309717148243121 -0.233 -0.7072 3092700 BCB02_000184 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(Br)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L09 compound treatment -0.691 -0.169 -0.15 -1.171 -0.638 -0.61 -0.23 0.238434169278997 0.235507646936552 -0.3009 -0.4501 3092701 BCB02_000185 CCOC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L10 compound treatment -0.923 -0.401 -0.35 -0.589 -0.056 -0.05 -0.091 0.377434169278997 0.372801571809694 -0.02 -0.0387 3000975 BCB02_000186 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)C(C)C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L11 compound treatment -0.04 0.482 0.43 -0.258 0.275 0.26 0.469 0.937434169278997 0.925928175615158 0.9321 0.8856 3092771 BCB02_000187 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccn2)c3ccccn3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L12 compound treatment -1.545 -1.02 -0.9 -1.053 -0.52 -0.5 -1.047 -0.578565830721003 -0.571464558972492 -1.1379 -0.9654 3000976 BCB02_000188 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](C=C([C@@H]2c3ccccc3)C(=O)O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L13 compound treatment -0.886 -0.364 -0.32 -1.429 -0.896 -0.85 -1.311 -0.842565830721003 -0.83222424362364 -1.1588 -0.9386 3092772 BCB02_000189 COC(=O)c1cccc(c1)[C@@H]2C/C(=C\C(=O)OC(C)C)/O[C@@H](O2)c3cccc(c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L14 compound treatment -0.701 -0.179 -0.16 -0.485 0.048 0.05 -0.821 -0.352565830721003 -0.348238465293858 -0.2658 -0.6902 3092773 BCB02_000190 CC(C)[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L15 compound treatment -1.077 -0.555 -0.49 -1.519 -0.986 -0.94 -1.966 -1.497565830721 -1.47918482486039 -1.6794 -0.923 3000977 BCB02_000191 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc(C#N)cc2)c3ccc(C#N)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L16 compound treatment 0.91 1.43 1.27 -0.607 -0.074 -0.07 -1.088 -0.619565830721003 -0.611961328179678 0.3372 0.2394 3092774 BCB02_000192 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L17 mock treatment -0.388 0.134 0.12 1.347 1.88 1.54 0.315 0.783434169278997 0.773818359568656 1.4026 0.8133 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L18 mock treatment -0.069 0.453 0.4 -0.361 0.172 0.16 -0.581 -0.112565830721003 -0.111184206520088 0.2619 0.5857 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L19 mock treatment -0.113 0.409 0.36 3.024 3.56 1.74 -0.656 -0.187565830721003 -0.185263662386891 1.1071 0.6193 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L20 mock treatment -0.339 0.183 0.16 -0.369 0.164 0.16 -0.422 0.046434169278997 0.0458642399175351 0.2103 0.9151 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L21 mock treatment 0.048 0.57 0.5 -0.529 0.00405 0.0 0.368 0.836434169278997 0.82616784171453 0.7704 0.7959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L22 mock treatment -0.275 0.247 0.22 -0.029 0.504 0.48 -0.086 0.382434169278997 0.377740202200814 0.6216 0.9579 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L23 mock treatment 1.466 1.99 1.44 -0.87 -0.337 -0.32 -0.088 0.380434169278997 0.375764750044366 0.8623 0.5668 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 L24 mock treatment -0.737 -0.215 -0.19 -0.611 -0.078 -0.07 -0.607 -0.138565830721003 -0.136865084553913 -0.2314 -0.9429 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M01 compound treatment -1.676 -1.15 -1.02 -1.619 -1.09 -1.03 -1.182 -0.713565830721003 -0.704807579532738 -1.593 -0.9866 3000978 BCB02_000193 CC1(C)[C@H]2C[C@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M02 compound treatment -1.742 -1.22 -1.08 -2.071 -1.54 -1.47 -1.491 -1.022565830721 -1.01001493770397 -2.0515 -0.986 3001047 BCB02_000194 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(c(OC)c4)c5ccc(OCc6ccccc6)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M03 compound treatment -1.809 -1.29 -1.14 -1.256 -0.723 -0.69 -1.048 -0.579565830721003 -0.572452285050717 -1.3848 -0.9566 3092775 BCB02_000195 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M04 compound treatment -1.167 -0.645 -0.57 -1.576 -1.04 -0.99 -1.171 -0.702565830721003 -0.693942592672274 -1.3033 -0.9732 3001048 BCB02_000196 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M05 compound treatment -1.197 -0.675 -0.6 -1.787 -1.25 -1.19 -0.51 -0.041565830721003 -0.0410556549661808 -1.0577 -0.7918 3092776 BCB02_000197 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)[N+](=O)[O-])C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M06 compound treatment -1.517 -0.995 -0.88 -1.494 -0.961 -0.92 -1.583 -1.114565830721 -1.10088573690058 -1.6718 -0.995 3001049 BCB02_000198 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M07 compound treatment -1.692 -1.17 -1.03 -1.658 -1.12 -1.07 -2.042 -1.573565830721 -1.55425200680542 -2.1131 -0.9817 3092777 BCB02_000199 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M08 compound treatment -1.167 -0.645 -0.57 -1.093 -0.56 -0.53 -1.554 -1.085565830721 -1.07224168063208 -1.256 -0.9471 3092778 BCB02_000200 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(CC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M09 compound treatment -1.196 -0.674 -0.6 -1.338 -0.805 -0.77 -1.319 -0.850565830721003 -0.840126052249432 -1.2716 -0.9904 3001050 BCB02_000201 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M10 compound treatment -1.174 -0.652 -0.58 -1.281 -0.748 -0.71 -1.24 -0.771565830721003 -0.762095692069733 -1.184 -0.9934 3001168 BCB02_000202 CCOC(=O)C1=C(N([C@@H](CC1)c2ccccc2)S(=O)(=O)CC[Si](C)(C)C)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M11 compound treatment -1.48 -0.958 -0.85 -1.16 -0.627 -0.6 -1.545 -1.076565830721 -1.06335214592807 -1.4475 -0.975 3092779 BCB02_000203 COc1ccc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M12 compound treatment -1.54 -1.02 -0.9 -2.128 -1.59 -1.52 -1.576 -1.107565830721 -1.09397165435301 -2.0282 -0.9764 3092780 BCB02_000204 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4cc(Cl)ccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M13 compound treatment -1.343 -0.821 -0.73 -1.343 -0.81 -0.77 -0.905 -0.436565830721003 -0.431207455864678 -1.1133 -0.9736 3001169 BCB02_000205 COc1ccc(NN2C3C(C=CC2C(O)C4=CC[C@H](CC4)C(=C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M14 compound treatment -1.141 -0.619 -0.55 -1.304 -0.771 -0.73 -0.625 -0.156565830721003 -0.154644153961946 -0.8291 -0.8927 3092781 BCB02_000206 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M15 compound treatment -1.708 -1.19 -1.05 -1.104 -0.571 -0.54 -1.324 -0.855565830721003 -0.845064682640553 -1.4071 -0.969 3001170 BCB02_000207 COc1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M16 mock treatment 0.255 0.777 0.69 -0.82 -0.287 -0.27 -0.571 -0.102565830721003 -0.101306945737847 0.1805 0.2418 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M17 mock treatment -0.426 0.0964 0.09 -0.638 -0.105 -0.1 -0.185 0.283434169278997 0.279955320456634 0.1531 0.4952 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M18 mock treatment -0.861 -0.339 -0.3 -0.524 0.00905 0.01 -0.778 -0.309565830721003 -0.305766243930225 -0.3444 -0.8047 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M19 mock treatment -0.253 0.269 0.24 -0.246 0.287 0.27 -0.696 -0.227565830721003 -0.224772705515853 0.1656 0.3882 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M20 mock treatment -0.765 -0.243 -0.21 -0.46 0.073 0.07 -0.429 0.039434169278997 0.0389501573699668 -0.0611 -0.2672 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M21 mock treatment -0.107 0.415 0.37 -0.275 0.258 0.25 -0.183 0.285434169278997 0.281930772613082 0.5168 0.9857 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M22 mock treatment 0.234 0.756 0.67 -0.58 -0.047 -0.04 -0.424 0.044434169278997 0.043888787761087 0.3856 0.5741 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M23 mock treatment -0.26 0.262 0.23 -0.416 0.117 0.11 -0.222 0.246434169278997 0.243409455562344 0.3389 0.9565 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 M24 mock treatment -0.224 0.298 0.26 -0.31 0.223 0.21 -0.27 0.198434169278997 0.19599860380759 0.3882 0.9918 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N01 compound treatment -1.104 -0.582 -0.51 -1.59 -1.06 -1.01 -1.133 -0.664565830721003 -0.65640900169976 -1.2572 -0.9616 3092782 BCB02_000208 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N02 compound treatment -1.592 -1.07 -0.95 -1.141 -0.608 -0.58 -1.595 -1.126565830721 -1.11273844983927 -1.5228 -0.9693 3092783 BCB02_000209 CCC[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N03 compound treatment -0.692 -0.17 -0.15 -0.836 -0.303 -0.29 -0.875 -0.406565830721003 -0.401575673517957 -0.485 -0.9386 3001171 BCB02_000210 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N04 compound treatment -0.897 -0.375 -0.33 -1.25 -0.717 -0.68 -1.353 -0.884565830721003 -0.87370873890905 -1.09 -0.9417 3092784 BCB02_000211 CCS[C@@H]1[C@@H](CC)N([C@H]([C@@H]1C(=O)O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N05 compound treatment -1.139 -0.617 -0.55 -1.895 -1.36 -1.3 -1.477 -1.008565830721 -0.996186772608831 -1.639 -0.9505 3001172 BCB02_000212 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N06 compound treatment -0.873 -0.351 -0.31 -1.5 -0.967 -0.92 -1.312 -0.843565830721003 -0.833211969701864 -1.1918 -0.931 3092785 BCB02_000213 CCOC1=C2C(N(CC2C3C(C1)C(=O)N(C3=O)c4ccccc4)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N07 compound treatment -1.804 -1.28 -1.13 -1.815 -1.28 -1.22 -1.778 -1.309565830721 -1.29349232215427 -2.106 -0.9985 3092786 BCB02_000214 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N08 compound treatment -0.94 -0.418 -0.37 -1.095 -0.562 -0.54 -0.96 -0.491565830721003 -0.485532390167001 -0.8025 -0.9889 3001173 BCB02_000215 CCOC1=C2C(N(CC2n3n(C1)c(=O)n(c4ccccc4)c3=O)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N09 compound treatment -1.469 -0.947 -0.84 -1.34 -0.807 -0.77 -1.422 -0.953565830721003 -0.941861838306509 -1.4708 -0.9965 3092787 BCB02_000216 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N10 compound treatment -1.017 -0.495 -0.44 -1.13 -0.597 -0.57 -1.125 -0.656565830721003 -0.648507193073968 -0.9552 -0.9878 3001174 BCB02_000217 Cc1ccc(cc1)C2C3C(CN2S(=O)(=O)c4ccc(C)cc4)C5C(CC3=O)C(=O)N(C5=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N11 compound treatment -1.107 -0.585 -0.52 -0.952 -0.419 -0.4 -1.028 -0.559565830721003 -0.552697763486236 -0.8479 -0.9911 3092788 BCB02_000218 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccc2C(F)(F)F)c3ccccc3C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N12 compound treatment -1.364 -0.842 -0.74 -1.487 -0.954 -0.91 -1.515 -1.046565830721 -1.03372036358135 -1.5511 -0.9913 3092789 BCB02_000219 CCN1C(=O)C2CC(=O)C3C(N(CC3C2C1=O)S(=O)(=O)c4ccc(C)cc4)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N13 compound treatment -0.587 -0.0646 -0.06 -0.887 -0.354 -0.34 -0.731 -0.262565830721003 -0.259343118253694 -0.3774 -0.8792 3001175 BCB02_000220 CON(C)C(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N14 compound treatment -0.962 -0.44 -0.39 -0.864 -0.331 -0.32 -1.197 -0.728565830721003 -0.719623470706099 -0.8219 -0.9377 3092790 BCB02_000221 CC[C@@H]1[C@@H]2[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N15 compound treatment -1.157 -0.635 -0.56 -1.273 -0.74 -0.7 -1.196 -0.727565830721003 -0.718635744627875 -1.1458 -0.9942 3001176 BCB02_000222 CC(C)OC(=O)CC(=O)CC(O)c1ccc(cc1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N16 mock treatment -0.5 0.0224 0.02 -0.486 0.047 0.04 -0.435 0.033434169278997 0.0330238009006225 0.0564 0.9543 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N17 mock treatment -0.394 0.128 0.11 -0.459 0.074 0.07 -0.395 0.073434169278997 0.0725328440295843 0.1482 0.9742 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N18 mock treatment -1.033 -0.511 -0.45 -0.93 -0.397 -0.38 -1.0 -0.531565830721003 -0.525041433295962 -0.7821 -0.9913 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N19 mock treatment -0.076 0.446 0.39 -0.23 0.303 0.29 -0.302 0.166434169278997 0.16439136930442 0.4895 0.9488 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N20 mock treatment -0.697 -0.175 -0.15 -0.873 -0.34 -0.32 -1.08 -0.611565830721003 -0.604059519553886 -0.6248 -0.8894 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N21 mock treatment -0.512 0.0104 0.01 -0.382 0.151 0.14 -0.281 0.187434169278997 0.185133616947125 0.1953 0.8323 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N22 mock treatment -1.018 -0.496 -0.44 -0.968 -0.435 -0.41 -0.96 -0.491565830721003 -0.485532390167001 -0.7725 -0.9978 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N23 mock treatment -0.926 -0.404 -0.36 -1.039 -0.506 -0.48 -0.588 -0.119565830721003 -0.118098289067656 -0.5525 -0.9039 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 N24 mock treatment -0.638 -0.116 -0.1 -0.725 -0.192 -0.18 -0.794 -0.325565830721003 -0.321569861181809 -0.3502 -0.9126 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O01 compound treatment -0.891 -0.369 -0.33 -1.16 -0.627 -0.6 -1.265 -0.796565830721003 -0.786788844025334 -0.9872 -0.9491 3092791 BCB02_000223 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O02 compound treatment -1.057 -0.535 -0.47 -1.094 -0.561 -0.53 -1.0 -0.531565830721003 -0.525041433295962 -0.8845 -0.9986 3001177 BCB02_000224 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccco3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O03 compound treatment -1.699 -1.18 -1.04 -1.556 -1.02 -0.97 -1.458 -0.989565830721003 -0.977419977122575 -1.7275 -0.9995 3092792 BCB02_000225 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)c(OCc5ccccc5)c4)C(=O)N(C6CCCCC6)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O04 compound treatment -1.355 -0.833 -0.74 -1.165 -0.632 -0.6 -1.455 -0.986565830721003 -0.974456798887902 -1.3352 -0.9806 3001178 BCB02_000226 CCOC(=O)C1=CC[C@H](N([C@@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O05 compound treatment 0.765 1.29 1.14 -0.897 -0.364 -0.35 -0.7 -0.231565830721003 -0.228723609828749 0.3249 0.2682 3092860 BCB02_000227 COc1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O06 compound treatment -1.352 -0.83 -0.73 -1.411 -0.878 -0.84 -1.282 -0.813565830721003 -0.803580187355143 -1.3703 -0.9985 3001179 BCB02_000228 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)CC[Si](C)(C)C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O07 compound treatment -0.909 -0.387 -0.34 -1.006 -0.473 -0.45 -0.719 -0.250565830721003 -0.247490405315006 -0.6003 -0.9725 3092861 BCB02_000229 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O08 compound treatment -1.071 -0.549 -0.48 -1.723 -1.19 -1.13 -0.779 -0.310565830721003 -0.306753970008449 -1.1116 -0.8749 3001245 BCB02_000230 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccn3C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O09 compound treatment -1.372 -0.85 -0.75 -1.424 -0.891 -0.85 -1.062 -0.593565830721003 -0.586280450145853 -1.2622 -0.9891 3092862 BCB02_000231 COc1ccc(NN2C3C(C=CC2C(O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O10 compound treatment -1.101 -0.579 -0.51 -1.619 -1.09 -1.03 -1.37 -0.901565830721003 -0.890500082238859 -1.4067 -0.965 3001246 BCB02_000232 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O11 compound treatment -1.386 -0.864 -0.76 -1.85 -1.32 -1.25 -1.422 -0.953565830721003 -0.941861838306509 -1.7089 -0.9795 3092863 BCB02_000233 Cc1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C5CCCCC5)C3=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O12 compound treatment -0.71 -0.188 -0.17 -1.047 -0.514 -0.49 -0.634 -0.165565830721003 -0.163533688665962 -0.4728 -0.8721 3001247 BCB02_000234 CCOC(=O)C1=CCC(NC1)c2cc3ccccc3[nH]2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O13 compound treatment -0.625 -0.103 -0.09 -1.018 -0.485 -0.46 -1.123 -0.654565830721003 -0.64653174091752 -0.6924 -0.8657 3092864 BCB02_000235 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O14 compound treatment -0.966 -0.444 -0.39 -1.068 -0.535 -0.51 -0.965 -0.496565830721003 -0.490471020558121 -0.8038 -0.9939 3001248 BCB02_000236 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccccc2[N+](=O)[O-])c3cc4ccccc4[nH]3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O15 compound treatment -0.873 -0.351 -0.31 -0.953 -0.42 -0.4 -0.724 -0.255565830721003 -0.252429035706126 -0.5557 -0.9825 3092865 BCB02_000237 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O16 mock treatment -0.667 -0.145 -0.13 -0.59 -0.057 -0.05 -0.649 -0.180565830721003 -0.178349579839323 -0.2081 -0.9206 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O17 mock treatment -0.255 0.267 0.24 -0.227 0.306 0.29 -0.176 0.292434169278997 0.28884485516065 0.4716 0.9957 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O18 mock treatment -0.562 -0.0396 -0.03 -0.088 0.445 0.42 -0.04 0.428434169278997 0.42317560179912 0.4689 0.7815 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O19 mock treatment 0.606 1.13 1.0 -0.094 0.439 0.42 0.425 0.893434169278997 0.882468228173301 1.327 0.9505 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O20 mock treatment -0.3 0.222 0.2 -0.806 -0.273 -0.26 -0.216 0.252434169278997 0.249335812031688 0.1074 0.2616 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O21 mock treatment -0.329 0.193 0.17 -0.094 0.439 0.42 -0.393 0.075434169278997 0.0745082961860324 0.3832 0.8368 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O22 mock treatment -0.494 0.0284 0.03 -0.704 -0.171 -0.16 -0.5 -0.031565830721003 -0.0311783941839403 -0.0975 -0.5814 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O23 mock treatment -0.511 0.0114 0.01 -0.633 -0.1 -0.1 -0.031 0.437434169278997 0.432065136503136 0.2003 0.4527 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 O24 mock treatment -0.423 0.0994 0.09 -0.759 -0.226 -0.22 -0.506 -0.037565830721003 -0.0371047506532846 -0.0949 -0.4032 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P01 compound treatment -0.695 -0.173 -0.15 -1.075 -0.542 -0.52 -0.859 -0.390565830721003 -0.385772056266372 -0.6089 -0.9193 3001249 BCB02_000238 CC(C)OC(=O)CC(=O)CC(O)c1cccc(c1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P02 compound treatment -0.878 -0.356 -0.31 -0.78 -0.247 -0.24 -1.04 -0.571565830721003 -0.564550476424924 -0.6433 -0.9354 3092866 BCB02_000239 CC[C@@H]1[C@H]2[C@@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P03 compound treatment -0.873 -0.351 -0.31 -1.159 -0.626 -0.6 -1.348 -0.879565830721003 -0.86877010851793 -1.0248 -0.933 3001250 BCB02_000240 CC(C)OC(=O)CC(=O)CC(O)c1cccc(C#N)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P04 compound treatment -0.3 0.222 0.2 -1.202 -0.669 -0.64 -0.969 -0.500565830721003 -0.494421924871017 -0.5398 -0.6502 3092867 BCB02_000241 CCOC(=O)C1=CC[C@H](N([C@H]1CC)S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P05 compound treatment -1.26 -0.738 -0.65 -1.414 -0.881 -0.84 -1.054 -0.585565830721003 -0.578378641520061 -1.1949 -0.9876 3001251 BCB02_000242 CC(C)OC(=O)CC(=O)CC(O)c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P06 compound treatment -1.343 -0.821 -0.73 -1.133 -0.6 -0.57 -1.446 -0.977565830721003 -0.965567264183886 -1.3063 -0.9777 3092868 BCB02_000243 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P07 compound treatment 0.062 0.584 0.52 -1.0 -0.467 -0.44 -0.043 0.425434169278997 0.420212423564448 0.2841 0.3547 3001252 BCB02_000244 COC(=O)C1=CCC(CC1)(C=C)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P08 compound treatment -0.691 -0.169 -0.15 -1.677 -1.14 -1.09 -1.282 -0.813565830721003 -0.803580187355143 -1.1792 -0.8656 3092869 BCB02_000245 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P09 compound treatment -0.776 -0.254 -0.22 -1.485 -0.952 -0.91 -1.265 -0.796565830721003 -0.786788844025334 -1.1073 -0.9066 3001253 BCB02_000246 COC(=O)/C=C(/CC(O)c1cccc(Cl)c1)\OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P10 compound treatment -1.462 -0.94 -0.83 -1.351 -0.818 -0.78 -1.062 -0.593565830721003 -0.586280450145853 -1.268 -0.9898 3092870 BCB02_000247 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P11 compound treatment -0.916 -0.394 -0.35 -1.224 -0.691 -0.66 -1.044 -0.575565830721003 -0.56850138073782 -0.9091 -0.9705 3001254 BCB02_000248 OC(C/C(=C/C(=O)OCCF)/OCCF)c1cccc(Cl)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P12 compound treatment -1.109 -0.587 -0.52 -2.25 -1.72 -1.64 -1.169 -0.700565830721003 -0.691967140515826 -1.6433 -0.8882 3092871 BCB02_000249 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(Br)c2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCC=C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P13 compound treatment 0.38 0.902 0.8 -0.385 0.148 0.14 -0.628 -0.159565830721003 -0.157607332196618 0.4511 0.5465 3001255 BCB02_000250 CCO/C(=C\C(=O)OC)/CC(O)c1cccc(Cl)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P14 compound treatment -0.92 -0.398 -0.35 -0.739 -0.206 -0.2 -1.014 -0.545565830721003 -0.538869598391099 -0.6273 -0.9327 3092774 BCB02_000251 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P15 compound treatment -0.467 0.0554 0.05 -0.512 0.021 0.02 -0.636 -0.167565830721003 -0.16550914082241 -0.0557 -0.3204 3092872 BCB02_000252 FCCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P16 mock treatment -0.293 0.229 0.2 -0.526 0.00705 0.01 -0.145 0.323434169278997 0.319464363585595 0.3054 0.807 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P17 mock treatment -0.429 0.0934 0.08 -0.473 0.06 0.06 -0.403 0.065434169278997 0.0646310354037919 0.118 0.988 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P18 mock treatment -0.069 0.453 0.4 -0.6 -0.067 -0.06 0.514 0.982434169278997 0.97037584913524 0.7549 0.7177 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P19 mock treatment 0.358 0.88 0.78 -0.512 0.021 0.02 -0.618 -0.149565830721003 -0.147730071414378 0.3757 0.474 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P20 mock treatment -0.458 0.0644 0.06 -0.754 -0.221 -0.21 -0.437 0.031434169278997 0.0310483487441744 -0.0707 -0.321 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P21 mock treatment 0.026 0.548 0.48 -0.603 -0.07 -0.07 -0.437 0.031434169278997 0.0310483487441744 0.2594 0.5289 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P22 mock treatment 0.198 0.72 0.64 -0.589 -0.056 -0.05 -0.4 0.068434169278997 0.067594213638464 0.376 0.585 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P23 mock treatment -0.591 -0.0686 -0.06 -0.471 0.062 0.06 -0.316 0.152434169278997 0.150563204209284 0.0861 0.4982 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2088 P24 mock treatment -0.062 0.46 0.41 -0.907 -0.374 -0.36 -0.43 0.038434169278997 0.0379624312917428 0.0513 0.0945 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A01 compound treatment -3.734 -3.21 -2.84 -2.652 -2.12 -2.02 -2.217 -1.748565830721 -1.72710407049462 -3.8019 -0.9778 3186889 PK04_093001 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A02 compound treatment -2.227 -1.7 -1.51 -2.095 -1.56 -1.49 -1.461 -0.992565830721003 -0.980383155357247 -2.2952 -0.9835 3067555 PK04_093002 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A03 compound treatment -2.595 -2.07 -1.83 -1.649 -1.12 -1.06 -1.439 -0.970565830721003 -0.958653181636318 -2.2252 -0.957 3186890 PK04_093003 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A04 compound treatment -1.783 -1.26 -1.11 -2.368 -1.83 -1.75 -1.571 -1.102565830721 -1.08903302396189 -2.2814 -0.9742 3186891 PK04_093004 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A05 compound treatment -2.712 -2.19 -1.94 -2.328 -1.79 -1.71 -1.714 -1.245565830721 -1.23027785314793 -2.8152 -0.984 3067558 PK04_093005 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A06 compound treatment -2.254 -1.73 -1.53 -1.593 -1.06 -1.01 -2.222 -1.753565830721 -1.73204270088574 -2.4668 -0.9779 3186892 PK04_093006 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A07 compound treatment -2.139 -1.62 -1.43 -2.455 -1.92 -1.83 -2.159 -1.690565830721 -1.66981595795763 -2.8463 -0.995 3067559 PK04_093007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A08 compound treatment -1.833 -1.31 -1.16 -1.772 -1.24 -1.18 -1.84 -1.371565830721 -1.35473133900416 -2.1325 -0.9975 3186893 PK04_093008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A09 compound treatment -2.254 -1.73 -1.53 -2.061 -1.53 -1.46 -1.881 -1.412565830721 -1.39522810821135 -2.5298 -0.9993 3186894 PK04_093009 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A10 compound treatment -2.083 -1.56 -1.38 -2.055 -1.52 -1.45 -1.536 -1.067565830721 -1.05446261122405 -2.2425 -0.9913 3067560 PK04_093010 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A11 compound treatment -1.558 -1.04 -0.92 -1.8 -1.27 -1.21 -1.679 -1.210565830721 -1.19570744041009 -1.9158 -0.9927 3186895 PK04_093011 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A12 compound treatment -1.833 -1.31 -1.16 -1.507 -0.974 -0.93 -1.667 -1.198565830721 -1.1838547274714 -1.8881 -0.9945 3186896 PK04_093012 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A13 mock treatment -2.662 -2.14 -1.89 -1.73 -1.2 -1.14 -1.803 -1.334565830721 -1.31818547410987 -2.5115 -0.9764 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A14 mock treatment -1.885 -1.36 -1.2 -1.97 -1.44 -1.37 -1.333 -0.864565830721003 -0.853954217344569 -1.9789 -0.9828 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A15 compound treatment -2.653 -2.13 -1.88 -1.359 -0.826 -0.79 -1.543 -1.074565830721 -1.06137669377162 -2.1546 -0.9364 3067562 PK04_093013 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A16 compound treatment -1.917 -1.39 -1.23 -2.712 -2.18 -2.08 -1.516 -1.047565830721 -1.03470808965957 -2.5077 -0.9547 3186897 PK04_093014 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A17 compound treatment -1.408 -0.886 -0.78 -1.589 -1.06 -1.01 -1.536 -1.067565830721 -1.05446261122405 -1.6416 -0.9923 3067564 PK04_093015 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A18 compound treatment -2.732 -2.21 -1.95 -1.588 -1.05 -1.01 -2.558 -2.089565830721 -2.06391866316902 -2.8997 -0.962 3186898 PK04_093016 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A19 compound treatment -2.59 -2.07 -1.83 -2.632 -2.1 -2.0 -2.409 -1.940565830721 -1.91674747751364 -3.3164 -0.9993 3186899 PK04_093017 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A20 compound treatment -2.185 -1.66 -1.47 -2.16 -1.63 -1.55 -2.0 -1.531565830721 -1.51276751152001 -2.6169 -0.9998 3067604 PK04_093018 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A21 compound treatment -2.538 -2.02 -1.78 -2.579 -2.05 -1.95 -1.853 -1.384565830721 -1.36757177802107 -2.9437 -0.9898 3186900 PK04_093019 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A22 compound treatment -1.78 -1.26 -1.11 -1.873 -1.34 -1.28 -2.0 -1.531565830721 -1.51276751152001 -2.2523 -0.9921 3067607 PK04_093020 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A23 compound treatment -1.955 -1.43 -1.27 -2.279 -1.75 -1.66 -1.576 -1.107565830721 -1.09397165435301 -2.3231 -0.9846 3186901 PK04_093021 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 A24 compound treatment -2.164 -1.64 -1.45 -2.014 -1.48 -1.41 -2.13 -1.661565830721 -1.64117190168913 -2.6 -0.9978 3186902 PK04_093022 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B01 compound treatment -1.667 -1.14 -1.01 -1.358 -0.825 -0.79 -0.945 -0.476565830721003 -0.47071649899364 -1.3097 -0.9595 3067612 PK04_093023 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B02 compound treatment -1.812 -1.29 -1.14 -1.846 -1.31 -1.25 -2.094 -1.625565830721 -1.60561376287307 -2.3074 -0.9891 3186903 PK04_093024 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B03 compound treatment -0.799 -0.277 -0.24 -1.062 -0.529 -0.5 -0.98 -0.511565830721003 -0.505286911731481 -0.7238 -0.9596 3067614 PK04_093025 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B04 compound treatment -1.062 -0.54 -0.48 -1.433 -0.9 -0.86 -1.277 -0.808565830721003 -0.798641556964023 -1.2315 -0.9735 3186904 PK04_093026 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B05 compound treatment -0.134 0.388 0.34 -0.522 0.011 0.01 -0.951 -0.482565830721003 -0.476642855462984 -0.0708 -0.1206 3186905 PK04_093027 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B06 compound treatment -1.609 -1.09 -0.96 -2.304 -1.77 -1.69 -1.596 -1.127565830721 -1.11372617591749 -2.1717 -0.9703 3068180 PK04_093028 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B07 compound treatment -2.0 -1.48 -1.31 -2.0 -1.47 -1.4 -2.033 -1.564565830721 -1.5453624721014 -2.4533 -0.9976 3186906 PK04_093029 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B08 compound treatment -2.143 -1.62 -1.43 -2.091 -1.56 -1.48 -2.058 -1.589565830721 -1.570055624057 -2.5906 -0.9993 3186992 PK04_093030 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B09 compound treatment -1.051 -0.529 -0.47 -0.968 -0.435 -0.41 -1.135 -0.666565830721003 -0.658384453856208 -0.8891 -0.9798 3068181 PK04_093031 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B10 compound treatment -1.721 -1.2 -1.06 -2.0 -1.47 -1.4 -2.164 -1.695565830721 -1.67475458834875 -2.3855 -0.9837 3186993 PK04_093032 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B11 compound treatment -1.027 -0.505 -0.45 -1.277 -0.744 -0.71 -1.324 -0.855565830721003 -0.845064682640553 -1.1546 -0.9705 3068182 PK04_093033 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B12 compound treatment -0.966 -0.444 -0.39 -1.494 -0.961 -0.92 -1.732 -1.263565830721 -1.24805692255596 -1.4755 -0.9241 3186994 PK04_093034 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B13 mock treatment -2.111 -1.59 -1.4 -1.953 -1.42 -1.35 -1.76 -1.291565830721 -1.27571325274624 -2.3284 -0.9992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B14 mock treatment -2.156 -1.63 -1.44 -1.962 -1.43 -1.36 -1.739 -1.270565830721 -1.25497100510353 -2.3443 -0.9984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B15 compound treatment -1.359 -0.837 -0.74 -1.667 -1.13 -1.08 -1.519 -1.050565830721 -1.03767126789424 -1.6498 -0.9876 3068183 PK04_093035 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B16 compound treatment -1.377 -0.855 -0.76 -1.412 -0.879 -0.84 -1.368 -0.899565830721003 -0.888524630082411 -1.4326 -0.9978 3186995 PK04_093036 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B17 compound treatment -0.233 0.289 0.26 -1.643 -1.11 -1.06 -1.537 -1.068565830721 -1.05545033730227 -1.0721 -0.7073 3186996 PK04_093037 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B18 compound treatment -2.306 -1.78 -1.58 -2.406 -1.87 -1.78 -1.846 -1.377565830721 -1.3606576954735 -2.7261 -0.994 3068184 PK04_093038 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B19 compound treatment -2.309 -1.79 -1.58 -1.655 -1.12 -1.07 -1.966 -1.497565830721 -1.47918482486039 -2.383 -0.9874 3186997 PK04_093039 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B20 compound treatment -2.404 -1.88 -1.66 -2.066 -1.53 -1.46 -1.929 -1.460565830721 -1.4426389599661 -2.6365 -0.9978 3186998 PK04_093040 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B21 compound treatment -1.983 -1.46 -1.29 -1.8 -1.27 -1.21 -1.963 -1.494565830721 -1.47622164662572 -2.2947 -0.9964 3068185 PK04_093041 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B22 compound treatment -1.793 -1.27 -1.12 -1.896 -1.36 -1.3 -1.983 -1.514565830721 -1.4959761681902 -2.2619 -0.9933 3186999 PK04_093042 CN(C)C(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B23 compound treatment -1.608 -1.09 -0.96 -1.566 -1.03 -0.98 -1.845 -1.376565830721 -1.35966996939528 -1.9072 -0.9865 3068186 PK04_093043 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 B24 compound treatment -1.6 -1.08 -0.95 -1.633 -1.1 -1.05 -1.667 -1.198565830721 -1.1838547274714 -1.8385 -0.996 3187000 PK04_093044 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C01 compound treatment -1.689 -1.17 -1.03 -1.633 -1.1 -1.05 -2.4 -1.931565830721 -1.90785794280962 -2.3019 -0.9557 3187001 PK04_093045 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C02 compound treatment -2.36 -1.84 -1.62 -2.433 -1.9 -1.81 -2.141 -1.672565830721 -1.6520368885496 -2.9368 -0.9988 3068187 PK04_093046 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C03 compound treatment -2.081 -1.56 -1.38 -2.148 -1.61 -1.54 -2.068 -1.599565830721 -1.57993288483924 -2.596 -0.9983 3187002 PK04_093047 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C04 compound treatment -2.0 -1.48 -1.31 -1.73 -1.2 -1.14 -2.052 -1.583565830721 -1.56412926758766 -2.3156 -0.9916 3068188 PK04_093048 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C05 compound treatment -1.787 -1.26 -1.12 -1.29 -0.757 -0.72 -1.057 -0.588565830721003 -0.581341819754733 -1.3974 -0.9625 3187003 PK04_093049 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C06 compound treatment -1.821 -1.3 -1.15 -1.833 -1.3 -1.24 -1.023 -0.554565830721003 -0.547759133095115 -1.6941 -0.9542 3187004 PK04_093050 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C07 compound treatment -0.82 -0.298 -0.26 -0.233 0.3 0.29 0.211 0.679434169278997 0.671094847433355 0.4006 0.5166 3068189 PK04_093051 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C08 compound treatment -1.04 -0.518 -0.46 -1.418 -0.885 -0.84 -1.183 -0.714565830721003 -0.705795305610962 -1.1584 -0.9727 3187005 PK04_093052 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C09 compound treatment -1.571 -1.05 -0.93 -1.782 -1.25 -1.19 -1.405 -0.936565830721003 -0.9250704949767 -1.7562 -0.9926 3187006 PK04_093053 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C10 compound treatment -1.567 -1.04 -0.92 -1.724 -1.19 -1.13 -1.778 -1.309565830721 -1.29349232215427 -1.935 -0.9909 3068190 PK04_093054 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C11 mock treatment -1.628 -1.11 -0.98 -1.646 -1.11 -1.06 -1.284 -0.815565830721003 -0.805555639511591 -1.6415 -0.9938 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C12 mock treatment -1.458 -0.936 -0.83 -1.905 -1.37 -1.31 -1.491 -1.022565830721 -1.01001493770397 -1.8153 -0.9827 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C13 compound treatment -1.368 -0.846 -0.75 -1.633 -1.1 -1.05 -1.613 -1.144565830721 -1.1305175192473 -1.6893 -0.9861 3187007 PK04_093055 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C14 compound treatment -1.663 -1.14 -1.01 -1.644 -1.11 -1.06 -1.396 -0.927565830721003 -0.916180960272684 -1.7222 -0.9983 3068191 PK04_093056 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C15 mock treatment -1.789 -1.27 -1.12 -1.477 -0.944 -0.9 -1.815 -1.346565830721 -1.33003818704856 -1.9336 -0.9878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C16 mock treatment -2.05 -1.53 -1.35 -1.817 -1.28 -1.22 -2.018 -1.549565830721 -1.53054658092804 -2.3696 -0.9958 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C17 compound treatment -1.891 -1.37 -1.21 -1.514 -0.981 -0.93 -1.048 -0.579565830721003 -0.572452285050717 -1.5686 -0.9609 3187008 PK04_093057 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C18 compound treatment -1.962 -1.44 -1.27 -1.894 -1.36 -1.3 -1.268 -0.799565830721003 -0.789752022260006 -1.9393 -0.9789 3068193 PK04_093058 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C19 compound treatment -1.032 -0.51 -0.45 -0.599 -0.066 -0.06 -0.116 0.352434169278997 0.348108419854093 -0.0954 -0.1665 3187009 PK04_093059 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C20 compound treatment -0.982 -0.46 -0.41 -1.638 -1.1 -1.05 -1.314 -0.845565830721003 -0.835187421858312 -1.3245 -0.9435 3187010 PK04_093060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C21 compound treatment -1.694 -1.17 -1.04 -1.976 -1.44 -1.37 -1.607 -1.138565830721 -1.12459116277796 -2.0409 -0.9927 3068197 PK04_093061 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C22 compound treatment -1.776 -1.25 -1.11 -1.987 -1.45 -1.39 -1.819 -1.350565830721 -1.33398909136145 -2.2097 -0.9956 3187011 PK04_093062 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C23 compound treatment -1.726 -1.2 -1.06 -1.968 -1.43 -1.37 -1.702 -1.233565830721 -1.21842514020924 -2.107 -0.9949 3068199 PK04_093063 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 C24 compound treatment -1.938 -1.42 -1.25 -2.155 -1.62 -1.55 -1.982 -1.513565830721 -1.49498844211197 -2.4778 -0.996 3187012 PK04_093064 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D01 compound treatment -0.156 0.366 0.32 -0.913 -0.38 -0.36 -0.531 -0.062565830721003 -0.0617979026088857 -0.0576 -0.1176 3187091 PK04_093065 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D02 compound treatment -1.638 -1.12 -0.99 -1.831 -1.3 -1.24 -2.272 -1.803565830721 -1.78142900479695 -2.3118 -0.9704 3068202 PK04_093066 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D03 compound treatment -1.344 -0.822 -0.73 -1.772 -1.24 -1.18 -1.929 -1.460565830721 -1.4426389599661 -1.9337 -0.9666 3187092 PK04_093067 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D04 compound treatment -2.129 -1.61 -1.42 -2.192 -1.66 -1.58 -1.803 -1.334565830721 -1.31818547410987 -2.4935 -0.9972 3187093 PK04_093068 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D05 compound treatment -1.243 -0.721 -0.64 -1.769 -1.24 -1.18 -1.571 -1.102565830721 -1.08903302396189 -1.6763 -0.9714 3068220 PK04_093069 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D06 compound treatment -1.394 -0.872 -0.77 -2.188 -1.65 -1.58 -1.12 -0.651565830721003 -0.643568562682848 -1.7267 -0.9238 3187094 PK04_093070 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D07 compound treatment -1.286 -0.764 -0.68 -0.976 -0.443 -0.42 -1.094 -0.625565830721003 -0.617887684649023 -0.9901 -0.9825 3068223 PK04_093071 COC(=O)[C@H]1COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D08 compound treatment -0.881 -0.359 -0.32 -1.602 -1.07 -1.02 -1.747 -1.278565830721 -1.26287281372932 -1.5001 -0.9075 3187095 PK04_093072 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D09 compound treatment -1.01 -0.488 -0.43 -2.07 -1.54 -1.46 -2.111 -1.642565830721 -1.62240510620288 -2.0309 -0.9117 3068225 PK04_093073 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D10 compound treatment -1.065 -0.543 -0.48 -1.644 -1.11 -1.06 -1.46 -0.991565830721003 -0.979395429279023 -1.4534 -0.9564 3187096 PK04_093074 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D11 mock treatment -0.913 -0.391 -0.35 -1.375 -0.842 -0.8 -1.459 -0.990565830721003 -0.978407703200799 -1.2273 -0.9359 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D12 mock treatment -1.181 -0.659 -0.58 -2.161 -1.63 -1.55 -1.228 -0.759565830721003 -0.750242979131044 -1.6647 -0.9154 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D13 compound treatment -0.15 0.372 0.33 -0.667 -0.134 -0.13 0.983 1.451434169279 1.43361937982232 0.9441 0.6395 3187097 PK04_093075 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D14 compound treatment -0.659 -0.137 -0.12 -1.93 -1.4 -1.33 -1.406 -0.937565830721003 -0.926058221054924 -1.3727 -0.8443 3068228 PK04_093076 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D15 mock treatment -1.63 -1.11 -0.98 -1.793 -1.26 -1.2 -1.195 -0.726565830721003 -0.717648018549651 -1.6727 -0.9798 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D16 mock treatment -0.954 -0.432 -0.38 -1.802 -1.27 -1.21 -0.925 -0.456565830721003 -0.450961977429159 -1.1786 -0.876 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D17 compound treatment -1.467 -0.945 -0.84 -2.163 -1.63 -1.55 -0.655 -0.186565830721003 -0.184275936308667 -1.485 -0.8377 3187098 PK04_093077 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D18 compound treatment -1.338 -0.816 -0.72 -1.92 -1.39 -1.32 -1.168 -0.699565830721003 -0.690979414437602 -1.5781 -0.9528 3187099 PK04_093078 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D19 compound treatment -0.787 -0.265 -0.23 -1.134 -0.601 -0.57 -0.446 0.022434169278997 0.022158814040158 -0.4528 -0.7317 3068229 PK04_093079 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D20 compound treatment -0.965 -0.443 -0.39 -1.147 -0.614 -0.58 0.296 0.764434169278997 0.755051564082399 -0.1276 -0.1237 3187100 PK04_093080 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D21 compound treatment -1.412 -0.89 -0.79 -1.841 -1.31 -1.25 -1.366 -0.897565830721003 -0.886549177925963 -1.6853 -0.98 3068232 PK04_093081 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D22 compound treatment -1.29 -0.768 -0.68 -2.233 -1.7 -1.62 -1.658 -1.189565830721 -1.17496519276738 -2.0052 -0.9491 3187101 PK04_093082 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D23 compound treatment -1.268 -0.746 -0.66 -1.635 -1.1 -1.05 -1.649 -1.180565830721 -1.16607565806337 -1.6599 -0.9753 3187102 PK04_093083 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 D24 compound treatment -1.011 -0.489 -0.43 -2.463 -1.93 -1.84 -1.593 -1.124565830721 -1.11076299768282 -1.9522 -0.891 3068234 PK04_093084 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E01 mock treatment -1.905 -1.38 -1.22 -1.662 -1.13 -1.08 -1.932 -1.463565830721 -1.44560213820077 -2.1613 -0.9926 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E02 mock treatment -1.779 -1.26 -1.11 -1.838 -1.3 -1.24 -1.259 -0.790565830721003 -0.78086248755599 -1.81 -0.9831 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E03 compound treatment -3.06 -2.54 -2.24 -2.089 -1.56 -1.48 -2.17 -1.701565830721 -1.68068094481809 -3.1214 -0.9844 3187103 PK04_093085 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E04 compound treatment -2.246 -1.72 -1.52 -2.618 -2.08 -1.99 -1.639 -1.170565830721 -1.15619839728113 -2.694 -0.977 3187104 PK04_093086 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E05 compound treatment -0.613 -0.0906 -0.08 -1.358 -0.825 -0.79 -1.352 -0.883565830721003 -0.872721012830826 -1.0038 -0.8528 3068237 PK04_093087 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E06 compound treatment -2.368 -1.85 -1.63 -1.456 -0.923 -0.88 -2.2 -1.731565830721 -1.71031272716482 -2.4371 -0.9663 3187105 PK04_093088 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E07 compound treatment -2.083 -1.56 -1.38 -2.268 -1.73 -1.65 -1.714 -1.245565830721 -1.23027785314793 -2.4611 -0.9925 3068240 PK04_093089 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E08 compound treatment -2.075 -1.55 -1.37 -2.286 -1.75 -1.67 -2.185 -1.716565830721 -1.69549683599145 -2.7355 -0.9957 3187106 PK04_093090 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E09 mock treatment -1.957 -1.43 -1.27 -1.755 -1.22 -1.16 -1.132 -0.663565830721003 -0.655421275621536 -1.7827 -0.9678 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E10 mock treatment -1.553 -1.03 -0.91 -1.5 -0.967 -0.92 -1.769 -1.300565830721 -1.28460278745025 -1.7995 -0.9863 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E11 compound treatment -1.673 -1.15 -1.02 -2.118 -1.58 -1.51 -1.603 -1.134565830721 -1.12064025846506 -2.106 -0.9851 3068242 PK04_093091 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E12 compound treatment -1.923 -1.4 -1.24 -1.855 -1.32 -1.26 -1.797 -1.328565830721 -1.31225911764053 -2.1996 -0.9997 3187107 PK04_093092 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E13 compound treatment -2.76 -2.24 -1.98 -1.986 -1.45 -1.38 -2.154 -1.685565830721 -1.66487732756651 -2.9025 -0.9897 3068264 PK04_093093 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E14 compound treatment -1.862 -1.34 -1.18 -2.375 -1.84 -1.75 -1.988 -1.519565830721 -1.50091479858132 -2.5634 -0.9878 3187108 PK04_093094 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E15 compound treatment -2.528 -2.01 -1.77 -1.857 -1.32 -1.26 -1.75 -1.281565830721 -1.265835991964 -2.4827 -0.9862 3187109 PK04_093095 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E16 compound treatment -2.281 -1.76 -1.55 -2.383 -1.85 -1.76 -1.892 -1.423565830721 -1.40609309507181 -2.7269 -0.9957 3068267 PK04_093096 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E17 mock treatment -0.409 0.113 0.1 -2.213 -1.68 -1.6 -1.774 -1.305565830721 -1.28954141784137 -1.6106 -0.7827 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E18 mock treatment -2.81 -2.29 -2.02 -1.511 -0.978 -0.93 -2.244 -1.775565830721 -1.75377267460667 -2.7181 -0.959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E19 compound treatment -2.492 -1.97 -1.74 -1.929 -1.4 -1.33 -1.533 -1.064565830721 -1.05149943298938 -2.3802 -0.9794 3187110 PK04_093097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E20 compound treatment -1.736 -1.21 -1.07 -1.78 -1.25 -1.19 -1.923 -1.454565830721 -1.43671260349676 -2.1348 -0.9925 3187111 PK04_093098 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E21 compound treatment -2.25 -1.73 -1.53 -2.429 -1.9 -1.81 -1.922 -1.453565830721 -1.43572487741853 -2.7535 -0.9951 3068269 PK04_093099 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E22 compound treatment -1.893 -1.37 -1.21 -2.056 -1.52 -1.45 -2.592 -2.123565830721 -2.09750134982864 -2.7482 -0.9733 3187184 PK04_093100 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E23 compound treatment -1.125 -0.603 -0.53 -1.492 -0.959 -0.91 -1.418 -0.949565830721003 -0.937910933993613 -1.3765 -0.9738 3068272 PK04_093101 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 E24 compound treatment -2.462 -1.94 -1.71 -2.157 -1.62 -1.55 -2.414 -1.945565830721 -1.92168610790476 -2.9927 -0.9961 3187185 PK04_093102 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F01 mock treatment -2.333 -1.81 -1.6 -2.082 -1.55 -1.48 -1.844 -1.375565830721 -1.35868224331706 -2.5606 -0.9978 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F02 mock treatment -1.932 -1.41 -1.25 -1.627 -1.09 -1.04 -1.551 -1.082565830721 -1.06927850239741 -1.9385 -0.9967 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F03 compound treatment -2.057 -1.53 -1.36 -1.889 -1.36 -1.29 -1.95 -1.481565830721 -1.4633812076088 -2.374 -0.9987 3068274 PK04_093103 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F04 compound treatment -1.716 -1.19 -1.06 -1.62 -1.09 -1.04 -1.557 -1.088565830721 -1.07520485886675 -1.8278 -0.9999 3187186 PK04_093104 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F05 compound treatment -1.632 -1.11 -0.98 -1.188 -0.655 -0.62 -1.049 -0.580565830721003 -0.57344001112894 -1.2577 -0.9702 3068276 PK04_093105 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F06 compound treatment -2.288 -1.77 -1.56 -2.103 -1.57 -1.5 -1.745 -1.276565830721 -1.26089736157288 -2.4927 -0.996 3187187 PK04_093106 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F07 compound treatment -1.481 -0.959 -0.85 -1.051 -0.518 -0.49 -1.158 -0.689565830721003 -0.681102153655361 -1.1674 -0.9777 3187188 PK04_093107 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F08 compound treatment -1.621 -1.1 -0.97 -1.724 -1.19 -1.13 -1.627 -1.158565830721 -1.14434568434244 -1.8765 -0.9973 3068278 PK04_093108 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F09 mock treatment -2.175 -1.65 -1.46 -1.776 -1.24 -1.18 -1.847 -1.378565830721 -1.36164542155173 -2.3133 -0.9963 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F10 mock treatment -1.407 -0.885 -0.78 -1.4 -0.867 -0.83 -1.424 -0.955565830721003 -0.943837290462957 -1.4733 -0.9968 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F11 compound treatment -2.12 -1.6 -1.41 -2.065 -1.53 -1.46 -1.87 -1.401565830721 -1.38436312135088 -2.4573 -0.9998 3187189 PK04_093109 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F12 compound treatment -1.217 -0.695 -0.61 -1.625 -1.09 -1.04 -1.6 -1.131565830721 -1.11767708023039 -1.6004 -0.9725 3068280 PK04_093110 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F13 compound treatment -2.732 -2.21 -1.95 -2.086 -1.55 -1.48 -2.18 -1.711565830721 -1.69055820560033 -2.958 -0.9936 3187190 PK04_093111 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F14 compound treatment -2.614 -2.09 -1.85 -2.239 -1.71 -1.63 -2.241 -1.772565830721 -1.750809496372 -3.0167 -0.9986 3187191 PK04_093112 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F15 compound treatment -1.814 -1.29 -1.14 -1.684 -1.15 -1.1 -1.902 -1.433565830721 -1.41597035585405 -2.1098 -0.9934 3068282 PK04_093113 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F16 compound treatment -1.831 -1.31 -1.16 -1.919 -1.39 -1.32 -2.273 -1.804565830721 -1.78241673087517 -2.4593 -0.983 3187192 PK04_093114 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F17 mock treatment -2.537 -2.01 -1.78 -1.616 -1.08 -1.03 -1.524 -1.055565830721 -1.04260989828536 -2.2259 -0.9647 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F18 mock treatment -2.5 -1.98 -1.75 -1.934 -1.4 -1.33 -1.865 -1.396565830721 -1.37942449095976 -2.5764 -0.9923 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F19 compound treatment -2.096 -1.57 -1.39 -1.644 -1.11 -1.06 -0.73 -0.261565830721003 -0.25835539217547 -1.5634 -0.8848 3187193 PK04_093115 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F20 compound treatment -1.948 -1.43 -1.26 -1.746 -1.21 -1.16 -1.7 -1.231565830721 -1.21644968805279 -2.0971 -0.9994 3068312 PK04_093116 NC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F21 compound treatment -1.464 -0.942 -0.83 -1.119 -0.586 -0.56 -1.031 -0.562565830721003 -0.555660941720908 -1.1237 -0.9805 3068314 PK04_093117 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F22 compound treatment -1.787 -1.26 -1.12 -2.071 -1.54 -1.47 -2.032 -1.563565830721 -1.54437474602318 -2.383 -0.9911 3187194 PK04_093118 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F23 compound treatment -0.674 -0.152 -0.13 -1.122 -0.589 -0.56 -0.679 -0.210565830721003 -0.207981362186044 -0.5214 -0.8503 3187195 PK04_093119 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 F24 compound treatment -1.362 -0.84 -0.74 -1.753 -1.22 -1.16 -1.658 -1.189565830721 -1.17496519276738 -1.7779 -0.9814 3068317 PK04_093120 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G01 compound treatment -1.546 -1.02 -0.9 -1.321 -0.788 -0.75 -2.5 -2.031565830721 -2.00663055063203 -2.1144 -0.9091 3187196 PK04_093121 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G02 compound treatment -1.935 -1.41 -1.25 -1.756 -1.22 -1.17 -1.776 -1.307565830721 -1.29151686999782 -2.1393 -0.9991 3068319 PK04_093122 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G03 mock treatment -1.486 -0.964 -0.85 -1.386 -0.853 -0.81 -1.615 -1.146565830721 -1.13249297140375 -1.6148 -0.9885 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G04 mock treatment -2.017 -1.49 -1.32 -1.606 -1.07 -1.02 -1.704 -1.235565830721 -1.22040059236569 -2.0576 -0.9946 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G05 compound treatment -1.644 -1.12 -0.99 -1.326 -0.793 -0.76 -0.985 -0.516565830721003 -0.510225542122602 -1.3032 -0.9675 3187197 PK04_093123 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G06 compound treatment -2.245 -1.72 -1.52 -2.014 -1.48 -1.41 -1.426 -0.957565830721003 -0.945812742619405 -2.2399 -0.9818 3187198 PK04_093124 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G07 compound treatment -0.508 0.0144 0.01 -0.592 -0.059 -0.06 -0.495 -0.026565830721003 -0.0262397637928201 -0.0402 -0.6352 3068323 PK04_093125 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G08 compound treatment -1.246 -0.724 -0.64 -2.4 -1.87 -1.78 -1.418 -0.949565830721003 -0.937910933993613 -1.9377 -0.9183 3187199 PK04_093126 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G09 compound treatment -1.414 -0.892 -0.79 -1.774 -1.24 -1.18 -1.407 -0.938565830721003 -0.927045947133148 -1.6729 -0.986 3068325 PK04_093127 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G10 compound treatment -2.026 -1.5 -1.33 -1.972 -1.44 -1.37 -1.947 -1.478565830721 -1.46041802937413 -2.4021 -0.9992 3187200 PK04_093128 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G11 compound treatment -1.533 -1.01 -0.89 -1.744 -1.21 -1.15 -1.577 -1.108565830721 -1.09495938043124 -1.814 -0.9944 3187201 PK04_093129 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G12 compound treatment -1.442 -0.92 -0.81 -1.919 -1.39 -1.32 -1.966 -1.497565830721 -1.47918482486039 -2.0857 -0.9733 3068327 PK04_093130 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G13 compound treatment -1.414 -0.892 -0.79 -0.489 0.044 0.04 -1.922 -1.453565830721 -1.43572487741853 -1.2598 -0.7689 3187202 PK04_093131 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G14 compound treatment -1.411 -0.889 -0.79 -1.289 -0.756 -0.72 -1.267 -0.798565830721003 -0.788764296181782 -1.3247 -0.9991 3187203 PK04_093132 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G15 compound treatment -2.097 -1.57 -1.39 -1.744 -1.21 -1.15 -2.014 -1.545565830721 -1.52659567661514 -2.3511 -0.9936 3068330 PK04_093133 COC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G16 compound treatment -2.271 -1.75 -1.55 -2.027 -1.49 -1.42 -2.309 -1.840565830721 -1.81797486969124 -2.7638 -0.9947 3068332 PK04_093134 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G17 compound treatment -1.574 -1.05 -0.93 -1.57 -1.04 -0.99 -1.254 -0.785565830721003 -0.77592385716487 -1.5551 -0.9951 3187278 PK04_093135 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G18 compound treatment -1.789 -1.27 -1.12 -1.736 -1.2 -1.15 -1.344 -0.875565830721003 -0.864819204205034 -1.8074 -0.9927 3187279 PK04_093136 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G19 mock treatment -0.807 -0.285 -0.25 -0.153 0.38 0.36 -0.675 -0.206565830721003 -0.204030457873148 -0.054 -0.1112 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G20 mock treatment -1.022 -0.5 -0.44 -2.29 -1.76 -1.67 -1.096 -0.627565830721003 -0.619863136805471 -1.5792 -0.8589 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G21 compound treatment -1.625 -1.1 -0.97 -1.927 -1.39 -1.33 -1.438 -0.969565830721003 -0.957665455558094 -1.8824 -0.9879 3187280 PK04_093137 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G22 compound treatment -2.041 -1.52 -1.34 -2.177 -1.64 -1.57 -1.867 -1.398565830721 -1.38139994311621 -2.4769 -0.9977 3068361 PK04_093138 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G23 compound treatment -1.553 -1.03 -0.91 -1.465 -0.932 -0.89 -1.844 -1.375565830721 -1.35868224331706 -1.8231 -0.9795 3187281 PK04_093139 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 G24 compound treatment -1.386 -0.864 -0.76 -2.443 -1.91 -1.82 -2.757 -2.288565830721 -2.26047615273561 -2.7964 -0.932 3187282 PK04_093140 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H01 compound treatment -0.311 0.211 0.19 -0.809 -0.276 -0.26 -0.904 -0.435565830721003 -0.430219729786454 -0.2922 -0.5435 3068365 PK04_093141 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H02 compound treatment -1.747 -1.22 -1.08 -2.069 -1.54 -1.46 -1.443 -0.974565830721003 -0.962604085949214 -2.0256 -0.9838 3187283 PK04_093142 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H03 mock treatment -1.337 -0.815 -0.72 -1.461 -0.928 -0.88 -1.18 -0.711565830721003 -0.70283212737629 -1.3319 -0.9944 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H04 mock treatment -1.208 -0.686 -0.61 -1.967 -1.43 -1.37 -0.088 0.380434169278997 0.375764750044366 -0.9217 -0.5981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H05 compound treatment -0.513 0.00945 0.01 -1.512 -0.979 -0.93 -0.842 -0.373565830721003 -0.368980712936563 -0.7466 -0.7444 3068368 PK04_093143 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H06 compound treatment -1.066 -0.544 -0.48 -2.268 -1.73 -1.65 -0.601 -0.132565830721003 -0.130938728084569 -1.3073 -0.7573 3187284 PK04_093144 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H07 compound treatment -1.333 -0.811 -0.72 -1.479 -0.946 -0.9 -0.53 -0.061565830721003 -0.0608101765306617 -0.9691 -0.8406 3187285 PK04_093145 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H08 compound treatment -1.238 -0.716 -0.63 -1.654 -1.12 -1.07 -1.379 -0.910565830721003 -0.899389616942875 -1.501 -0.9793 3068370 PK04_093146 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H09 compound treatment -0.976 -0.454 -0.4 -1.488 -0.955 -0.91 -0.093 0.375434169278997 0.370826119653246 -0.5427 -0.5114 3187286 PK04_093147 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H10 compound treatment -1.07 -0.548 -0.48 -2.0 -1.47 -1.4 -0.842 -0.373565830721003 -0.368980712936563 -1.2994 -0.8524 3187287 PK04_093148 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H11 compound treatment -0.598 -0.0756 -0.07 -0.905 -0.372 -0.35 -1.052 -0.583565830721003 -0.576403189363613 -0.5759 -0.8471 3068373 PK04_093149 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H12 compound treatment -1.22 -0.698 -0.62 -2.314 -1.78 -1.7 -1.683 -1.214565830721 -1.19965834472298 -2.0282 -0.9357 3187288 PK04_093150 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H13 compound treatment -0.896 -0.374 -0.33 -1.265 -0.732 -0.7 -1.239 -0.770565830721003 -0.761107965991509 -1.0327 -0.9529 3187289 PK04_093151 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H14 compound treatment -1.69 -1.17 -1.03 -2.293 -1.76 -1.68 -1.707 -1.238565830721 -1.22336377060036 -2.2703 -0.9794 3068375 PK04_093152 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H15 compound treatment -1.286 -0.764 -0.68 -1.174 -0.641 -0.61 -1.316 -0.847565830721003 -0.83716287401476 -1.2256 -0.991 3187290 PK04_093153 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H16 compound treatment -1.368 -0.846 -0.75 -2.02 -1.49 -1.42 -1.222 -0.753565830721003 -0.7443166226617 -1.6792 -0.9507 3187291 PK04_093154 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H17 compound treatment -1.155 -0.633 -0.56 -1.587 -1.05 -1.0 -0.302 0.166434169278997 0.16439136930442 -0.8077 -0.6957 3068378 PK04_093155 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H18 compound treatment -1.227 -0.705 -0.62 -1.662 -1.13 -1.08 -0.876 -0.407565830721003 -0.402563399596181 -1.213 -0.9285 3187292 PK04_093156 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H19 mock treatment -1.341 -0.819 -0.72 -1.435 -0.902 -0.86 -1.213 -0.744565830721003 -0.735427087957684 -1.3385 -0.9969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H20 mock treatment -0.759 -0.237 -0.21 -1.263 -0.73 -0.7 -0.821 -0.352565830721003 -0.348238465293858 -0.7233 -0.8981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H21 compound treatment -0.756 -0.234 -0.21 -1.518 -0.985 -0.94 -0.49 -0.021565830721003 -0.0213011334016999 -0.6733 -0.7006 3187293 PK04_093157 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H22 compound treatment -1.281 -0.759 -0.67 -2.138 -1.6 -1.53 -1.091 -0.622565830721003 -0.61492450641435 -1.625 -0.9133 3068380 PK04_093158 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H23 compound treatment -0.505 0.0174 0.02 -0.908 -0.375 -0.36 -0.928 -0.459565830721003 -0.453925155663831 -0.4594 -0.7951 3068402 PK04_093159 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 H24 compound treatment -1.07 -0.548 -0.48 -2.014 -1.48 -1.41 -1.529 -1.060565830721 -1.04754852867648 -1.6988 -0.9321 3187294 PK04_093160 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I01 compound treatment -2.853 -2.33 -2.06 -1.848 -1.31 -1.25 -1.843 -1.374565830721 -1.35769451723883 -2.6967 -0.9745 3068406 PK04_093161 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I02 compound treatment -2.028 -1.51 -1.33 -2.24 -1.71 -1.63 -1.909 -1.440565830721 -1.42288443840162 -2.5288 -0.9965 3187295 PK04_093162 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I03 compound treatment -2.6 -2.08 -1.84 -3.211 -2.68 -2.55 -2.182 -1.713565830721 -1.69253365775678 -3.5106 -0.9833 3068409 PK04_093163 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I04 compound treatment -2.158 -1.64 -1.45 -2.241 -1.71 -1.63 -1.974 -1.505565830721 -1.48708663348618 -2.6328 -0.9987 3187296 PK04_093164 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I05 mock treatment -0.102 0.42 0.37 -2.345 -1.81 -1.73 -1.868 -1.399565830721 -1.38238766919443 -1.5801 -0.7046 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I06 mock treatment -2.417 -1.89 -1.67 -1.33 -0.797 -0.76 -1.447 -0.978565830721003 -0.96655499026211 -1.9634 -0.9451 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I07 compound treatment -1.714 -1.19 -1.05 -2.036 -1.5 -1.43 -1.489 -1.020565830721 -1.00803948554752 -2.0168 -0.987 3187297 PK04_093165 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I08 compound treatment -1.75 -1.23 -1.09 -1.704 -1.17 -1.12 -2.113 -1.644565830721 -1.62438055835932 -2.2085 -0.9817 3068413 PK04_093166 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I09 compound treatment -1.681 -1.16 -1.02 -2.189 -1.66 -1.58 -1.867 -1.398565830721 -1.38139994311621 -2.2997 -0.9854 3187298 PK04_093167 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I10 compound treatment -1.691 -1.17 -1.03 -1.621 -1.09 -1.04 -2.204 -1.735565830721 -1.71426363147771 -2.1846 -0.9692 3187366 PK04_093168 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I11 compound treatment -1.083 -0.561 -0.5 -1.746 -1.21 -1.16 -1.754 -1.285565830721 -1.26978689627689 -1.6864 -0.9437 3068416 PK04_093169 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I12 compound treatment -1.942 -1.42 -1.26 -1.689 -1.16 -1.1 -1.294 -0.825565830721003 -0.815432900293831 -1.8312 -0.9855 3187367 PK04_093170 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I13 compound treatment -2.5 -1.98 -1.75 -2.311 -1.78 -1.69 -2.225 -1.756565830721 -1.73500587912042 -2.989 -0.9999 3068419 PK04_093171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I14 compound treatment -1.952 -1.43 -1.26 -2.128 -1.59 -1.52 -1.795 -1.326565830721 -1.31028366548408 -2.3634 -0.9967 3187368 PK04_093172 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I15 compound treatment -2.299 -1.78 -1.57 -2.528 -1.99 -1.9 -1.661 -1.192565830721 -1.17792837100206 -2.6841 -0.9823 3068421 PK04_093173 COC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I16 compound treatment -2.281 -1.76 -1.55 -2.321 -1.79 -1.7 -1.952 -1.483565830721 -1.46535665976525 -2.7271 -0.9981 3187369 PK04_093174 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I17 compound treatment -0.963 -0.441 -0.39 -1.897 -1.36 -1.3 -1.593 -1.124565830721 -1.11076299768282 -1.6164 -0.9219 3068423 PK04_093175 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I18 compound treatment -0.715 -0.193 -0.17 -1.292 -0.759 -0.72 -1.205 -0.736565830721003 -0.727525279331891 -0.9358 -0.9 3187370 PK04_093176 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I19 compound treatment -2.189 -1.67 -1.47 -2.727 -2.19 -2.09 -2.324 -1.855565830721 -1.8327907608646 -3.1155 -0.9903 3187371 PK04_093177 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I20 compound treatment -1.661 -1.14 -1.01 -2.035 -1.5 -1.43 -2.135 -1.666565830721 -1.64611053208025 -2.3576 -0.9815 3068425 PK04_093178 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I21 mock treatment -1.667 -1.14 -1.01 -2.125 -1.59 -1.52 -1.796 -1.327565830721 -1.3112713915623 -2.2169 -0.9871 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I22 mock treatment -1.908 -1.39 -1.22 -2.066 -1.53 -1.46 -2.304 -1.835565830721 -1.81303623930012 -2.5971 -0.9873 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I23 compound treatment -1.333 -0.811 -0.72 -1.877 -1.34 -1.28 -1.576 -1.107565830721 -1.09397165435301 -1.7845 -0.9751 3187372 PK04_093179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 I24 compound treatment -1.857 -1.33 -1.18 -1.805 -1.27 -1.21 -0.667 -0.198565830721003 -0.196128649247356 -1.494 -0.8775 3068456 PK04_093180 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J01 compound treatment -1.713 -1.19 -1.05 -1.842 -1.31 -1.25 -1.611 -1.142565830721 -1.12854206709085 -1.9792 -0.9976 3187373 PK04_093181 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J02 compound treatment -2.899 -2.38 -2.1 -2.62 -2.09 -1.99 -2.253 -1.784565830721 -1.76266220931069 -3.3786 -0.9974 3187374 PK04_093182 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J03 compound treatment -1.831 -1.31 -1.16 -1.219 -0.686 -0.65 -1.694 -1.225565830721 -1.21052333158345 -1.7441 -0.9703 3068460 PK04_093183 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J04 compound treatment -1.708 -1.19 -1.05 -1.532 -0.999 -0.95 -1.833 -1.364565830721 -1.34781725645659 -1.9327 -0.9888 3187375 PK04_093184 COCCCNC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J05 mock treatment -1.544 -1.02 -0.9 -1.192 -0.659 -0.63 -0.846 -0.377565830721003 -0.37293161724946 -1.0992 -0.9464 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J06 mock treatment -2.186 -1.66 -1.47 -1.773 -1.24 -1.18 -1.804 -1.335565830721 -1.31917320018809 -2.2928 -0.996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J07 compound treatment -1.608 -1.09 -0.96 -1.525 -0.992 -0.94 -0.311 0.157434169278997 0.155501834600404 -1.0099 -0.7449 3187376 PK04_093185 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J08 compound treatment -2.085 -1.56 -1.38 -1.879 -1.35 -1.28 -1.61 -1.141565830721 -1.12755434101263 -2.1889 -0.9966 3068463 PK04_093186 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J09 compound treatment -1.429 -0.907 -0.8 -1.169 -0.636 -0.61 -1.0 -0.531565830721003 -0.525041433295962 -1.1157 -0.9842 3187377 PK04_093187 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J10 compound treatment -2.0 -1.48 -1.31 -1.841 -1.31 -1.25 -1.708 -1.239565830721 -1.22435149667859 -2.1805 -0.9996 3068465 PK04_093188 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J11 compound treatment -1.051 -0.529 -0.47 -1.373 -0.84 -0.8 -1.098 -0.629565830721003 -0.621838588961919 -1.0908 -0.9775 3187378 PK04_093189 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J12 compound treatment -1.281 -0.759 -0.67 -1.709 -1.18 -1.12 -1.57 -1.101565830721 -1.08804529788367 -1.6622 -0.978 3068467 PK04_093190 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J13 compound treatment -0.362 0.16 0.14 -1.594 -1.06 -1.01 -1.545 -1.076565830721 -1.06335214592807 -1.1156 -0.7569 3187379 PK04_093191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J14 compound treatment -2.69 -2.17 -1.92 -2.289 -1.76 -1.67 -2.384 -1.915565830721 -1.89205432555804 -3.1646 -0.9982 3187380 PK04_093192 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J15 compound treatment -2.23 -1.71 -1.51 -1.776 -1.24 -1.18 -2.098 -1.629565830721 -1.60956466718596 -2.4845 -0.9921 3068470 PK04_093193 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J16 compound treatment -0.954 -0.432 -0.38 -1.147 -0.614 -0.58 -1.412 -0.943565830721003 -0.931984577524268 -1.096 -0.9411 3187381 PK04_093194 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J17 compound treatment -1.476 -0.954 -0.84 -1.443 -0.91 -0.87 -1.4 -0.931565830721003 -0.92013186458558 -1.5185 -0.9993 3187382 PK04_093195 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J18 compound treatment -2.589 -2.07 -1.83 -2.42 -1.89 -1.8 -2.5 -2.031565830721 -2.00663055063203 -3.2512 -0.9988 3068473 PK04_093196 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J19 compound treatment -1.333 -0.811 -0.72 -1.081 -0.548 -0.52 -1.074 -0.605565830721003 -0.598133163084542 -1.0604 -0.9916 3187383 PK04_093197 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J20 compound treatment -2.476 -1.95 -1.73 -2.286 -1.75 -1.67 -1.773 -1.304565830721 -1.28855369176315 -2.7053 -0.9923 3068475 PK04_093198 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J21 mock treatment -2.055 -1.53 -1.35 -1.758 -1.22 -1.17 -1.483 -1.014565830721 -1.00211312907818 -2.0346 -0.9926 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J22 mock treatment -1.614 -1.09 -0.97 -1.484 -0.951 -0.91 -1.47 -1.001565830721 -0.989272690061263 -1.6514 -0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J23 compound treatment -1.557 -1.03 -0.91 -1.481 -0.948 -0.9 -1.395 -0.926565830721003 -0.91519323419446 -1.5778 -1.0 3187384 PK04_093199 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 J24 compound treatment -1.216 -0.694 -0.61 -1.684 -1.15 -1.1 -1.602 -1.133565830721 -1.11965253238684 -1.6335 -0.9707 3068477 PK04_093200 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K01 compound treatment -1.465 -0.943 -0.83 -2.052 -1.52 -1.45 -1.987 -1.518565830721 -1.49992707250309 -2.1825 -0.9724 3187385 PK04_093201 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K02 compound treatment -1.738 -1.22 -1.07 -1.565 -1.03 -0.98 -1.33 -0.861565830721003 -0.850991039109897 -1.6794 -0.9955 3187386 PK04_093202 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K03 compound treatment -1.873 -1.35 -1.19 -1.658 -1.12 -1.07 -1.84 -1.371565830721 -1.35473133900416 -2.0903 -0.9954 3187447 PK04_093203 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K04 compound treatment -2.066 -1.54 -1.36 -2.04 -1.51 -1.44 -2.6 -2.131565830721 -2.10540315845443 -2.8323 -0.9798 3068500 PK04_093204 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K05 compound treatment -1.763 -1.24 -1.1 -1.265 -0.732 -0.7 -1.03 -0.561565830721003 -0.554673215642684 -1.356 -0.9596 3187448 PK04_093205 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K06 compound treatment -2.262 -1.74 -1.54 -2.5 -1.97 -1.87 -1.747 -1.278565830721 -1.26287281372932 -2.6989 -0.9874 3187449 PK04_093206 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K07 mock treatment -0.357 0.165 0.15 0.075 0.608 0.58 0.731 1.199434169279 1.18471240810986 1.1029 0.8312 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K08 mock treatment -0.754 -0.232 -0.2 -2.066 -1.53 -1.46 -1.108 -0.639565830721003 -0.631715849744159 -1.3261 -0.8266 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K09 compound treatment -1.652 -1.13 -1.0 -1.831 -1.3 -1.24 -1.261 -0.792565830721003 -0.782837939712438 -1.7424 -0.9835 3068503 PK04_093207 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K10 compound treatment -1.907 -1.38 -1.22 -2.155 -1.62 -1.55 -1.53 -1.061565830721 -1.04853625475471 -2.2042 -0.9872 3187450 PK04_093208 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K11 compound treatment -0.86 -0.338 -0.3 -0.87 -0.337 -0.32 -1.574 -1.105565830721 -1.09199620219656 -0.9881 -0.8397 3068506 PK04_093209 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K12 compound treatment -1.179 -0.657 -0.58 -1.935 -1.4 -1.34 -2.397 -1.928565830721 -1.90489476457495 -2.206 -0.92 3187451 PK04_093210 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K13 compound treatment -1.457 -0.935 -0.83 -1.842 -1.31 -1.25 -1.74 -1.271565830721 -1.25595873118176 -1.9221 -0.9841 3187452 PK04_093211 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K14 compound treatment -1.762 -1.24 -1.1 -1.634 -1.1 -1.05 -1.753 -1.284565830721 -1.26879917019867 -1.9708 -0.9966 3068509 PK04_093212 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K15 mock treatment -2.117 -1.59 -1.41 -1.733 -1.2 -1.14 -1.926 -1.457565830721 -1.43967578173143 -2.3051 -0.995 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K16 mock treatment -1.379 -0.857 -0.76 -1.202 -0.669 -0.64 -1.429 -0.960565830721003 -0.948775920854077 -1.3529 -0.9868 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K17 compound treatment -1.362 -0.84 -0.74 -0.756 -0.223 -0.21 -0.433 0.035434169278997 0.0349992530570706 -0.531 -0.687 3187453 PK04_093213 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K18 compound treatment -1.6 -1.08 -0.95 -1.709 -1.18 -1.12 -1.39 -0.921565830721003 -0.910254603803339 -1.7223 -0.9959 3187454 PK04_093214 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K19 compound treatment -0.603 -0.0806 -0.07 -0.623 -0.09 -0.09 -0.505 -0.036565830721003 -0.0361170245750606 -0.1114 -0.9515 3068511 PK04_093215 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K20 compound treatment -1.045 -0.523 -0.46 -2.59 -2.06 -1.96 -1.413 -0.944565830721003 -0.932972303602493 -1.9367 -0.8728 3187455 PK04_093216 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K21 compound treatment -1.735 -1.21 -1.07 -2.224 -1.69 -1.61 -1.461 -0.992565830721003 -0.980383155357247 -2.115 -0.975 3068513 PK04_093217 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K22 compound treatment -1.854 -1.33 -1.18 -2.016 -1.48 -1.41 -1.537 -1.068565830721 -1.05545033730227 -2.1047 -0.9926 3187456 PK04_093218 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K23 mock treatment -0.982 -0.46 -0.41 -1.018 -0.485 -0.46 -1.689 -1.220565830721 -1.20558470119233 -1.1973 -0.8846 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 K24 mock treatment -1.685 -1.16 -1.03 -2.03 -1.5 -1.43 -1.615 -1.146565830721 -1.13249297140375 -2.0706 -0.9902 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L01 compound treatment -0.494 0.0284 0.03 -0.724 -0.191 -0.18 -0.887 -0.418565830721003 -0.413428386456645 -0.3292 -0.7277 3187457 PK04_093219 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L02 compound treatment -1.443 -0.921 -0.81 -1.781 -1.25 -1.19 -0.945 -0.476565830721003 -0.47071649899364 -1.428 -0.9422 3068516 PK04_093220 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L03 compound treatment -0.651 -0.129 -0.11 -1.276 -0.743 -0.71 -1.553 -1.084565830721 -1.07125395455386 -1.0927 -0.8478 3187458 PK04_093221 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L04 compound treatment -1.117 -0.595 -0.53 -1.812 -1.28 -1.22 -1.46 -0.991565830721003 -0.979395429279023 -1.5724 -0.9534 3187459 PK04_093222 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L05 compound treatment -1.506 -0.984 -0.87 -1.425 -0.892 -0.85 -0.971 -0.502565830721003 -0.496397377027465 -1.2792 -0.9741 3068518 PK04_093223 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L06 compound treatment -2.032 -1.51 -1.33 -2.041 -1.51 -1.44 -1.694 -1.225565830721 -1.21052333158345 -2.2988 -0.9976 3187460 PK04_093224 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L07 mock treatment -1.255 -0.733 -0.65 -1.364 -0.831 -0.79 -1.486 -1.017565830721 -1.00507630731285 -1.4112 -0.9841 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L08 mock treatment -0.747 -0.225 -0.2 -0.873 -0.34 -0.32 -0.623 -0.154565830721003 -0.152668701805498 -0.3897 -0.952 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L09 compound treatment -0.857 -0.335 -0.3 -1.373 -0.84 -0.8 -1.0 -0.531565830721003 -0.525041433295962 -0.9359 -0.9343 3068520 PK04_093225 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L10 compound treatment -0.973 -0.451 -0.4 -1.891 -1.36 -1.29 -1.031 -0.562565830721003 -0.555660941720908 -1.2977 -0.8869 3187461 PK04_093226 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L11 compound treatment -0.85 -0.328 -0.29 -1.203 -0.67 -0.64 -0.474 -0.00556583072100297 -0.00549751615011517 -0.5389 -0.7688 3187462 PK04_093227 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L12 compound treatment -1.186 -0.664 -0.59 -1.987 -1.45 -1.39 -1.813 -1.344565830721 -1.32806273489211 -1.9052 -0.9494 3187463 PK04_093228 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L13 compound treatment -0.92 -0.398 -0.35 -1.581 -1.05 -1.0 -1.45 -0.981565830721003 -0.969518168496782 -1.3391 -0.9329 3068543 PK04_093229 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L14 compound treatment -1.407 -0.885 -0.78 -2.209 -1.68 -1.6 -1.786 -1.317565830721 -1.30139413078006 -2.1247 -0.9643 3187464 PK04_093230 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L15 mock treatment -1.245 -0.723 -0.64 -1.376 -0.843 -0.8 -1.188 -0.719565830721003 -0.710733936002083 -1.2428 -0.9956 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L16 mock treatment -1.487 -0.965 -0.85 -1.689 -1.16 -1.1 -1.295 -0.826565830721003 -0.816420626372055 -1.5995 -0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L17 compound treatment -1.291 -0.769 -0.68 -1.33 -0.797 -0.76 -0.968 -0.499565830721003 -0.493434198792793 -1.1155 -0.9854 3068545 PK04_093231 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L18 compound treatment -1.484 -0.962 -0.85 -0.883 -0.35 -0.33 0.385 0.853434169278997 0.842959185044339 -0.1966 -0.1582 3187465 PK04_093232 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L19 compound treatment -1.075 -0.553 -0.49 -1.32 -0.787 -0.75 -0.454 0.014434169278997 0.0142570054143657 -0.7066 -0.7896 3187466 PK04_093233 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L20 compound treatment -0.843 -0.321 -0.28 -1.425 -0.892 -0.85 -1.24 -0.771565830721003 -0.762095692069733 -1.0942 -0.9304 3068547 PK04_093234 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L21 compound treatment -0.727 -0.205 -0.18 -1.047 -0.514 -0.49 -0.923 -0.454565830721003 -0.448986525272711 -0.6463 -0.9387 3187467 PK04_093235 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L22 compound treatment -1.597 -1.07 -0.95 -2.435 -1.9 -1.81 -1.388 -0.919565830721003 -0.908279151646891 -2.119 -0.9466 3068549 PK04_093236 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L23 mock treatment -1.638 -1.12 -0.99 -1.208 -0.675 -0.64 -0.959 -0.490565830721003 -0.484544664088777 -1.2204 -0.9586 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 L24 mock treatment -1.955 -1.43 -1.27 -1.46 -0.927 -0.88 -1.293 -0.824565830721003 -0.814445174215607 -1.7113 -0.9803 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M01 compound treatment -3.0 -2.48 -2.19 -2.258 -1.72 -1.64 -2.37 -1.901565830721 -1.8782261604629 -3.2978 -0.9931 3187528 PK04_093237 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M02 compound treatment -2.151 -1.63 -1.44 -2.207 -1.67 -1.59 -1.833 -1.364565830721 -1.34781725645659 -2.5301 -0.9976 3187529 PK04_093238 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M03 compound treatment -1.765 -1.24 -1.1 -1.896 -1.36 -1.3 -1.328 -0.859565830721003 -0.849015586953449 -1.8741 -0.9859 3068551 PK04_093239 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M04 compound treatment -2.259 -1.74 -1.54 -2.103 -1.57 -1.5 -1.978 -1.509565830721 -1.49103753779908 -2.6107 -0.9999 3187530 PK04_093240 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M05 compound treatment -1.233 -0.711 -0.63 -1.793 -1.26 -1.2 -1.667 -1.198565830721 -1.1838547274714 -1.7392 -0.9667 3068553 PK04_093241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M06 compound treatment -0.611 -0.0886 -0.08 -1.693 -1.16 -1.11 -1.892 -1.423565830721 -1.40609309507181 -1.495 -0.8352 3187531 PK04_093242 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M07 compound treatment -2.14 -1.62 -1.43 -2.035 -1.5 -1.43 -1.763 -1.294565830721 -1.27867643098091 -2.39 -0.9987 3187532 PK04_093243 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M08 compound treatment -1.712 -1.19 -1.05 -1.967 -1.43 -1.37 -2.2 -1.731565830721 -1.71031272716482 -2.3833 -0.9814 3068555 PK04_093244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M09 mock treatment -2.056 -1.53 -1.36 -1.655 -1.12 -1.07 -1.182 -0.713565830721003 -0.704807579532738 -1.8068 -0.9689 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M10 mock treatment -2.298 -1.78 -1.57 -1.841 -1.31 -1.25 -2.041 -1.572565830721 -1.55326428072719 -2.5225 -0.9948 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M11 compound treatment -1.367 -0.845 -0.75 -1.542 -1.01 -0.96 -1.448 -0.979565830721003 -0.967542716340334 -1.5446 -0.9934 3187533 PK04_093245 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M12 compound treatment -2.309 -1.79 -1.58 -2.187 -1.65 -1.58 -1.873 -1.404565830721 -1.38732629958555 -2.6226 -0.9983 3187534 PK04_093246 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M13 mock treatment -2.636 -2.11 -1.87 -1.875 -1.34 -1.28 -1.845 -1.376565830721 -1.35966996939528 -2.6019 -0.9852 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M14 mock treatment -2.059 -1.54 -1.36 -1.663 -1.13 -1.08 -1.375 -0.906565830721003 -0.895438712629979 -1.9228 -0.9856 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M15 compound treatment -1.848 -1.33 -1.17 -2.106 -1.57 -1.5 -1.611 -1.142565830721 -1.12854206709085 -2.1933 -0.9916 3068558 PK04_093247 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M16 compound treatment -1.906 -1.38 -1.22 -2.0 -1.47 -1.4 -1.857 -1.388565830721 -1.37152268233397 -2.3049 -0.9983 3187535 PK04_093248 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M17 compound treatment 0.402 0.924 0.82 -1.933 -1.4 -1.33 -1.661 -1.192565830721 -1.17792837100206 -0.9782 -0.4996 3068560 PK04_093249 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M18 compound treatment -1.046 -0.524 -0.46 -1.551 -1.02 -0.97 -1.892 -1.423565830721 -1.40609309507181 -1.6389 -0.9261 3187536 PK04_093250 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M19 compound treatment -2.037 -1.51 -1.34 -1.869 -1.34 -1.27 -1.275 -0.806565830721003 -0.796666104807574 -1.9678 -0.9781 3187537 PK04_093251 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M20 compound treatment -1.475 -0.953 -0.84 -2.111 -1.58 -1.5 -2.059 -1.590565830721 -1.57104335013523 -2.2612 -0.9697 3068562 PK04_093252 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCOCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M21 compound treatment -2.231 -1.71 -1.51 -2.12 -1.59 -1.51 -1.673 -1.204565830721 -1.18978108394074 -2.4319 -0.9942 3068586 PK04_093253 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M22 compound treatment -2.383 -1.86 -1.64 -1.904 -1.37 -1.31 -2.34 -1.871565830721 -1.84859437811618 -2.771 -0.9904 3187538 PK04_093254 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M23 compound treatment -2.26 -1.74 -1.54 -2.356 -1.82 -1.74 -2.21 -1.741565830721 -1.72018998794706 -2.8827 -0.9985 3068589 PK04_093255 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 M24 compound treatment -2.12 -1.6 -1.41 -1.681 -1.15 -1.09 -1.348 -0.879565830721003 -0.86877010851793 -1.9484 -0.9809 3187539 PK04_093256 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N01 compound treatment -1.724 -1.2 -1.06 -1.505 -0.972 -0.93 -1.714 -1.245565830721 -1.23027785314793 -1.8582 -0.9933 3187540 PK04_093257 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N02 compound treatment -3.135 -2.61 -2.31 -2.961 -2.43 -2.31 -2.753 -2.284565830721 -2.25652524842271 -3.9718 -0.9999 3187541 PK04_093258 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N03 compound treatment -1.829 -1.31 -1.16 -1.571 -1.04 -0.99 -1.89 -1.421565830721 -1.40411764291536 -2.0485 -0.9897 3068594 PK04_093259 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CC=C)C3=O)[C@@H](O2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N04 compound treatment -1.697 -1.17 -1.04 -1.56 -1.03 -0.98 -1.781 -1.312565830721 -1.29645550038894 -1.9129 -0.9923 3187542 PK04_093260 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N05 compound treatment -0.957 -0.435 -0.38 -1.116 -0.583 -0.56 -1.111 -0.642565830721003 -0.634679027978831 -0.9089 -0.9807 3068597 PK04_093261 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N06 compound treatment -2.102 -1.58 -1.4 -2.0 -1.47 -1.4 -1.889 -1.420565830721 -1.40312991683714 -2.4232 -1.0 3187543 PK04_093262 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N07 compound treatment -2.34 -1.82 -1.61 -1.565 -1.03 -0.98 -1.855 -1.386565830721 -1.36954723017752 -2.286 -0.9816 3187544 PK04_093263 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CC=C)C3=O)[C@H](O2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N08 compound treatment -1.641 -1.12 -0.99 -1.754 -1.22 -1.16 -1.432 -0.963565830721003 -0.951739099088749 -1.792 -0.9961 3068600 PK04_093264 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N09 mock treatment -2.268 -1.75 -1.54 -1.821 -1.29 -1.23 -1.807 -1.338565830721 -1.32213637842277 -2.3627 -0.9953 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N10 mock treatment -1.424 -0.902 -0.8 -1.339 -0.806 -0.77 -1.308 -0.839565830721003 -0.829261065388968 -1.3822 -0.9995 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N11 compound treatment -0.947 -0.425 -0.38 -1.013 -0.48 -0.46 -0.973 -0.504565830721003 -0.498372829183913 -0.7684 -0.9934 3187545 PK04_093265 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N12 compound treatment -0.879 -0.357 -0.32 -1.718 -1.18 -1.13 -1.61 -1.141565830721 -1.12755434101263 -1.4847 -0.9129 3187546 PK04_093266 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N13 mock treatment -1.08 -0.558 -0.49 -1.062 -0.529 -0.5 -1.833 -1.364565830721 -1.34781725645659 -1.3537 -0.89 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N14 mock treatment -1.94 -1.42 -1.25 -1.901 -1.37 -1.3 -1.861 -1.392565830721 -1.37547358664686 -2.2701 -0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N15 compound treatment -1.846 -1.32 -1.17 -1.59 -1.06 -1.01 -1.844 -1.375565830721 -1.35868224331706 -2.0414 -0.9926 3068603 PK04_093267 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N16 compound treatment -1.303 -0.781 -0.69 -1.133 -0.6 -0.57 -1.159 -0.690565830721003 -0.682089879733585 -1.1222 -0.9965 3187547 PK04_093268 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N17 compound treatment -0.857 -0.335 -0.3 -0.859 -0.326 -0.31 -0.914 -0.445565830721003 -0.440096990568695 -0.6041 -0.9832 3068605 PK04_093269 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N18 compound treatment -2.0 -1.48 -1.31 -2.22 -1.69 -1.61 -2.0 -1.531565830721 -1.51276751152001 -2.5554 -0.9964 3187548 PK04_093270 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N19 compound treatment -2.434 -1.91 -1.69 -1.65 -1.12 -1.06 -1.973 -1.504565830721 -1.48609890740796 -2.4481 -0.9834 3068607 PK04_093271 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N20 compound treatment -1.508 -0.986 -0.87 -1.918 -1.38 -1.32 -1.039 -0.570565830721003 -0.5635627503467 -1.5902 -0.9473 3186297 PK04_093272 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N21 compound treatment -1.7 -1.18 -1.04 -1.412 -0.879 -0.84 -1.4 -0.931565830721003 -0.92013186458558 -1.6157 -0.996 3186298 PK04_093273 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CC=C)C3=O)[C@@H](O2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N22 compound treatment -1.27 -0.748 -0.66 -1.441 -0.908 -0.86 -1.344 -0.875565830721003 -0.864819204205034 -1.3803 -0.9928 3068610 PK04_093274 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N23 compound treatment -1.341 -0.819 -0.72 -1.347 -0.814 -0.78 -0.03 0.438434169278997 0.43305286258136 -0.6155 -0.5372 3068635 PK04_093275 CC(=O)N1Cc2ccccc2C[C@]3(N=C(O[C@@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 N24 compound treatment -1.16 -0.638 -0.56 -1.756 -1.22 -1.17 -1.795 -1.326565830721 -1.31028366548408 -1.7546 -0.9527 3186299 PK04_093276 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O01 compound treatment -1.88 -1.36 -1.2 -2.052 -1.52 -1.45 -1.937 -1.468565830721 -1.45054076859189 -2.3659 -0.9963 3068638 PK04_093277 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O02 compound treatment -1.376 -0.854 -0.75 -1.228 -0.695 -0.66 -1.388 -0.919565830721003 -0.908279151646891 -1.3423 -0.9915 3186300 PK04_093278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O03 compound treatment -2.476 -1.95 -1.73 -1.922 -1.39 -1.32 -2.121 -1.652565830721 -1.63228236698512 -2.7035 -0.994 3068640 PK04_093279 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O04 compound treatment -1.809 -1.29 -1.14 -1.648 -1.11 -1.06 -2.2 -1.731565830721 -1.71031272716482 -2.2574 -0.9762 3186301 PK04_093280 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O05 compound treatment -1.592 -1.07 -0.95 -1.0 -0.467 -0.44 -1.0 -0.531565830721003 -0.525041433295962 -1.1059 -0.9456 3068642 PK04_093281 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O06 compound treatment -2.339 -1.82 -1.61 -1.312 -0.779 -0.74 -2.458 -1.989565830721 -1.96514605534662 -2.4902 -0.9418 3186302 PK04_093282 COCCCNC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O07 compound treatment -0.429 0.0934 0.08 -0.425 0.108 0.1 -0.5 -0.031565830721003 -0.0311783941839403 0.0891 0.6572 3186303 PK04_093283 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O08 compound treatment -0.888 -0.366 -0.32 -2.371 -1.84 -1.75 -1.253 -0.784565830721003 -0.774936131086645 -1.6449 -0.8471 3068645 PK04_093284 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O09 compound treatment -1.574 -1.05 -0.93 -2.507 -1.97 -1.88 -1.593 -1.124565830721 -1.11076299768282 -2.2638 -0.9537 3186304 PK04_093285 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O10 compound treatment -1.161 -0.639 -0.56 -1.871 -1.34 -1.27 -1.816 -1.347565830721 -1.33102591312678 -1.8303 -0.9496 3186305 PK04_093286 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O11 mock treatment -1.116 -0.594 -0.52 -1.274 -0.741 -0.71 -1.343 -0.874565830721003 -0.863831478126809 -1.2092 -0.9809 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O12 mock treatment -1.214 -0.692 -0.61 -1.886 -1.35 -1.29 -1.514 -1.045565830721 -1.03273263750312 -1.6934 -0.9615 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O13 compound treatment -1.337 -0.815 -0.72 -1.839 -1.31 -1.24 -1.75 -1.281565830721 -1.265835991964 -1.8649 -0.9736 3068648 PK04_093287 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O14 compound treatment -1.765 -1.24 -1.1 -1.691 -1.16 -1.1 -1.988 -1.519565830721 -1.50091479858132 -2.1377 -0.9885 3186306 PK04_093288 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O15 compound treatment -0.995 -0.473 -0.42 -1.598 -1.06 -1.01 -1.855 -1.386565830721 -1.36954723017752 -1.6177 -0.9218 3068650 PK04_093289 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O16 compound treatment -1.254 -0.732 -0.65 -1.568 -1.03 -0.99 -1.741 -1.272565830721 -1.25694645725998 -1.6683 -0.968 3186307 PK04_093290 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O17 compound treatment -1.236 -0.714 -0.63 -0.611 -0.078 -0.07 -0.655 -0.186565830721003 -0.184275936308667 -0.5135 -0.7764 3186308 PK04_093291 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O18 compound treatment -1.968 -1.45 -1.28 -1.129 -0.596 -0.57 -2.1 -1.631565830721 -1.61154011934241 -1.9961 -0.9355 3068652 PK04_093292 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O19 compound treatment -0.812 -0.29 -0.26 -0.761 -0.228 -0.22 -0.179 0.289434169278997 0.285881676925978 -0.1081 -0.2452 3186309 PK04_093293 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O20 compound treatment -1.068 -0.546 -0.48 -2.859 -2.33 -2.22 -1.444 -0.975565830721003 -0.963591812027438 -2.1141 -0.858 3068654 PK04_093294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O21 compound treatment -0.625 -0.103 -0.09 -2.221 -1.69 -1.61 -1.324 -0.855565830721003 -0.845064682640553 -1.4686 -0.8075 3186310 PK04_093295 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O22 compound treatment -1.054 -0.532 -0.47 -2.063 -1.53 -1.46 -1.786 -1.317565830721 -1.30139413078006 -1.8642 -0.9276 3186311 PK04_093296 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O23 compound treatment -1.956 -1.43 -1.27 -2.23 -1.7 -1.62 -1.912 -1.443565830721 -1.42584761663629 -2.4883 -0.9951 3068656 PK04_093297 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 O24 compound treatment -1.524 -1.0 -0.89 -2.662 -2.13 -2.03 -2.754 -2.285565830721 -2.25751297450094 -2.9856 -0.9444 3186312 PK04_093298 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P01 compound treatment -0.469 0.0534 0.05 1.722 2.26 1.6 -0.75 -0.281565830721003 -0.278109913739951 0.7906 0.4866 3186313 PK04_093299 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P02 compound treatment -1.179 -0.657 -0.58 -1.916 -1.38 -1.32 -1.471 -1.002565830721 -0.990260416139487 -1.6675 -0.9543 3186314 PK04_093300 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P03 compound treatment -1.375 -0.853 -0.75 -1.707 -1.17 -1.12 -1.646 -1.177565830721 -1.16311247982869 -1.7524 -0.984 3067960 PK04_093301 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P04 compound treatment -1.108 -0.586 -0.52 -1.829 -1.3 -1.23 -1.306 -0.837565830721003 -0.82728561323252 -1.4893 -0.9464 3186315 PK04_093302 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P05 compound treatment -1.448 -0.926 -0.82 -1.298 -0.765 -0.73 -0.962 -0.493565830721003 -0.487507842323449 -1.1746 -0.9794 3186316 PK04_093303 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P06 compound treatment 0.484 1.01 0.89 -0.644 -0.111 -0.11 -1.256 -0.787565830721003 -0.777899309321318 0.0036 0.003 3067963 PK04_093304 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P07 compound treatment -1.772 -1.25 -1.1 -1.08 -0.547 -0.52 -1.036 -0.567565830721003 -0.560599572112028 -1.2623 -0.9393 3186317 PK04_093305 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P08 compound treatment -1.342 -0.82 -0.72 -0.219 0.314 0.3 -1.5 -1.031565830721 -1.01890447240798 -0.8339 -0.6486 3186362 PK04_093306 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P09 compound treatment -0.563 -0.0406 -0.04 -1.308 -0.775 -0.74 -0.763 -0.294565830721003 -0.290950352756864 -0.6149 -0.7741 3067965 PK04_093307 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P10 compound treatment -1.793 -1.27 -1.12 -1.95 -1.42 -1.35 -0.189 0.279434169278997 0.276004416143737 -1.2685 -0.7136 3186363 PK04_093308 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P11 mock treatment -1.181 -0.659 -0.58 -1.037 -0.504 -0.48 -0.081 0.387434169278997 0.382678832591934 -0.3924 -0.4638 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P12 mock treatment -1.582 -1.06 -0.94 -1.218 -0.685 -0.65 -1.029 -0.560565830721003 -0.55368548956446 -1.2372 -0.9751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P13 compound treatment -0.425 0.0974 0.09 -0.867 -0.334 -0.32 -0.769 -0.300565830721003 -0.296876709226208 -0.3053 -0.6883 3186364 PK04_093309 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P14 compound treatment -1.133 -0.611 -0.54 -0.972 -0.439 -0.42 -1.225 -0.756565830721003 -0.747279800896372 -0.9845 -0.9726 3067968 PK04_093310 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P15 compound treatment -1.235 -0.713 -0.63 -1.108 -0.575 -0.55 -1.412 -0.943565830721003 -0.931984577524268 -1.218 -0.9735 3186365 PK04_093311 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P16 compound treatment -1.045 -0.523 -0.46 -0.496 0.037 0.04 -1.023 -0.554565830721003 -0.547759133095115 -0.5626 -0.7842 3186366 PK04_093312 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P17 compound treatment 0.145 0.667 0.59 0.328 0.861 0.82 -0.697 -0.228565830721003 -0.225760431594077 0.6839 0.6606 3067970 PK04_093313 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P18 compound treatment -1.207 -0.685 -0.61 -1.047 -0.514 -0.49 -1.1 -0.631565830721003 -0.623814041118367 -0.9923 -0.9947 3186367 PK04_093314 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P19 compound treatment -1.164 -0.642 -0.57 -0.92 -0.387 -0.37 -0.856 -0.387565830721003 -0.3828088780317 -0.7613 -0.9795 3067972 PK04_093315 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CC=C)C3=O)[C@H](O2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P20 compound treatment -1.132 -0.61 -0.54 -1.292 -0.759 -0.72 -1.076 -0.607565830721003 -0.60010861524099 -1.075 -0.9925 3186368 PK04_093316 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P21 compound treatment -0.727 -0.205 -0.18 -0.687 -0.154 -0.15 -0.243 0.225434169278997 0.222667207919639 -0.0605 -0.1879 3067974 PK04_093317 CC(=O)N1Cc2ccccc2C[C@@]3(N=C(O[C@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P22 compound treatment -1.767 -1.24 -1.1 -1.687 -1.15 -1.1 0.071 0.539434169278997 0.532813196481989 -0.9623 -0.5853 3186369 PK04_093318 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P23 compound treatment -1.119 -0.597 -0.53 -1.425 -0.892 -0.85 -0.115 0.353434169278997 0.349096145932317 -0.5935 -0.5603 3067976 PK04_093319 CC(=O)N1Cc2ccccc2C[C@@]3(COC(=N3)c4ccc(OCCCO)cc4)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2093 P24 compound treatment -2.365 -1.84 -1.63 -1.466 -0.933 -0.89 -1.062 -0.593565830721003 -0.586280450145853 -1.7921 -0.9209 3186370 PK04_093320 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A01 compound treatment -2.356 -1.83 -1.62 -2.0 -1.47 -1.4 -2.284 -1.815565830721 -1.79328171773563 -2.7781 -0.9949 3186371 PK04_094001 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A02 compound treatment -2.327 -1.8 -1.6 -2.152 -1.62 -1.54 -2.062 -1.593565830721 -1.5740065283699 -2.7203 -0.9999 3067979 PK04_094002 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A03 compound treatment -2.062 -1.54 -1.36 -2.0 -1.47 -1.4 -1.661 -1.192565830721 -1.17792837100206 -2.2728 -0.9973 3068002 PK04_094003 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A04 compound treatment -1.937 -1.41 -1.25 -1.797 -1.26 -1.2 -2.22 -1.751565830721 -1.7300672487293 -2.4161 -0.9858 3186372 PK04_094004 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A05 compound treatment -1.122 -0.6 -0.53 -2.0 -1.47 -1.4 -1.889 -1.420565830721 -1.40312991683714 -1.923 -0.938 3068007 PK04_094005 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A06 compound treatment -1.308 -0.786 -0.69 -1.732 -1.2 -1.14 -1.81 -1.341565830721 -1.32509955665744 -1.8255 -0.9698 3186373 PK04_094006 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A07 compound treatment -3.0 -2.48 -2.19 -2.556 -2.02 -1.93 -2.381 -1.912565830721 -1.88909114732337 -3.4679 -0.9978 3186374 PK04_094007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A08 compound treatment -1.371 -0.849 -0.75 -1.716 -1.18 -1.13 -1.827 -1.358565830721 -1.34189089998725 -1.8585 -0.975 3068010 PK04_094008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A09 compound treatment -2.343 -1.82 -1.61 -2.203 -1.67 -1.59 -2.0 -1.531565830721 -1.51276751152001 -2.7212 -0.9996 3186375 PK04_094009 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A10 compound treatment -2.121 -1.6 -1.41 -1.541 -1.01 -0.96 -2.265 -1.796565830721 -1.77451492224938 -2.3949 -0.9722 3068013 PK04_094010 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A11 compound treatment -1.922 -1.4 -1.24 -2.156 -1.62 -1.55 -2.234 -1.765565830721 -1.74389541382443 -2.6139 -0.9906 3186376 PK04_094011 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A12 compound treatment -1.98 -1.46 -1.29 -1.649 -1.12 -1.06 -2.063 -1.594565830721 -1.57499425444812 -2.2671 -0.9874 3186377 PK04_094012 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A13 mock treatment -1.344 -0.822 -0.73 -1.182 -0.649 -0.62 -1.184 -0.715565830721003 -0.706783031689186 -1.1843 -0.9976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A14 mock treatment -2.065 -1.54 -1.36 -1.663 -1.13 -1.08 -1.722 -1.253565830721 -1.23817966177372 -2.1237 -0.9954 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A15 compound treatment -1.5 -0.978 -0.86 -2.089 -1.56 -1.48 -1.982 -1.513565830721 -1.49498844211197 -2.2179 -0.9746 3068016 PK04_094013 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A16 compound treatment -1.672 -1.15 -1.02 -1.649 -1.12 -1.06 -1.82 -1.351565830721 -1.33497681743968 -1.9713 -0.9925 3186378 PK04_094014 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A17 compound treatment -0.579 -0.0566 -0.05 -1.525 -0.992 -0.94 -1.442 -0.973565830721003 -0.96161635987099 -1.1296 -0.8373 3068018 PK04_094015 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A18 compound treatment -2.15 -1.63 -1.44 -1.714 -1.18 -1.13 -1.837 -1.368565830721 -1.35176816076949 -2.2607 -0.9949 3186379 PK04_094016 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A19 compound treatment -2.614 -2.09 -1.85 -2.367 -1.83 -1.75 -2.535 -2.066565830721 -2.04120096336987 -3.2548 -0.9979 3186380 PK04_094017 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A20 compound treatment -1.619 -1.1 -0.97 -1.735 -1.2 -1.15 -1.98 -1.511565830721 -1.49301298995553 -2.0828 -0.984 3068020 PK04_094018 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A21 compound treatment -2.682 -2.16 -1.91 -2.596 -2.06 -1.97 -2.392 -1.923565830721 -1.89995613418383 -3.3339 -0.9999 3186381 PK04_094019 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A22 compound treatment -2.125 -1.6 -1.42 -1.697 -1.16 -1.11 -2.267 -1.798565830721 -1.77649037440583 -2.4838 -0.9824 3186437 PK04_094020 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A23 compound treatment -1.784 -1.26 -1.12 -2.015 -1.48 -1.41 -2.242 -1.773565830721 -1.75179722245023 -2.4704 -0.9838 3068021 PK04_094021 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 A24 compound treatment -1.923 -1.4 -1.24 -1.628 -1.09 -1.04 -1.986 -1.517565830721 -1.49893934642487 -2.1825 -0.9892 3186438 PK04_094022 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B01 compound treatment -1.352 -0.83 -0.73 -0.858 -0.325 -0.31 -1.759 -1.290565830721 -1.27472552666801 -1.3381 -0.8904 3186439 PK04_094023 CCCN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B02 compound treatment -1.439 -0.917 -0.81 -1.386 -0.853 -0.81 -1.352 -0.883565830721003 -0.872721012830826 -1.4408 -0.9994 3089331 PK04_094024 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B03 compound treatment -1.915 -1.39 -1.23 -1.57 -1.04 -0.99 -2.188 -1.719565830721 -1.69846001422613 -2.2618 -0.9754 3068022 PK04_094025 CCCN1C(=O)[C@]2(Cc3ccccc13)N=C(O[C@@H]2c4ccccc4)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B04 compound treatment -1.284 -0.762 -0.67 -1.013 -0.48 -0.46 -1.21 -0.741565830721003 -0.732463909723012 -1.0756 -0.9823 3089332 PK04_094026 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B05 compound treatment -1.593 -1.07 -0.95 -0.972 -0.439 -0.42 -0.882 -0.413565830721003 -0.408489756065525 -1.0237 -0.9202 3186440 PK04_094027 CCCN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B06 compound treatment -1.098 -0.576 -0.51 -1.182 -0.649 -0.62 -1.036 -0.567565830721003 -0.560599572112028 -0.9744 -0.9969 3000708 PK04_094028 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B07 compound treatment -1.604 -1.08 -0.96 -1.286 -0.753 -0.72 -1.387 -0.918565830721003 -0.907291425568667 -1.49 -0.9929 3068023 PK04_094029 CN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B08 compound treatment -0.94 -0.418 -0.37 -0.817 -0.284 -0.27 -0.747 -0.278565830721003 -0.275146735505279 -0.5282 -0.9891 3089333 PK04_094030 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B09 compound treatment -1.619 -1.1 -0.97 -1.647 -1.11 -1.06 -1.339 -0.870565830721003 -0.859880573813913 -1.6689 -0.9964 3186441 PK04_094031 CN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B10 compound treatment -1.0 -0.478 -0.42 -1.404 -0.871 -0.83 -1.219 -0.750565830721003 -0.741353444427028 -1.1508 -0.967 3089654 PK04_094032 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B11 compound treatment -0.86 -0.338 -0.3 -0.914 -0.381 -0.36 -1.125 -0.656565830721003 -0.648507193073968 -0.7562 -0.9443 3186442 PK04_094033 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B12 compound treatment -0.42 0.102 0.09 -0.9 -0.367 -0.35 -0.938 -0.469565830721003 -0.463802416446072 -0.4173 -0.7099 3089334 PK04_094034 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B13 mock treatment -1.144 -0.622 -0.55 -0.971 -0.438 -0.42 -1.026 -0.557565830721003 -0.550722311329788 -0.8761 -0.9924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B14 mock treatment -1.274 -0.752 -0.66 -0.854 -0.321 -0.31 -1.156 -0.687565830721003 -0.679126701498913 -0.9522 -0.9541 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B15 compound treatment -1.714 -1.19 -1.05 -1.278 -0.745 -0.71 -1.763 -1.294565830721 -1.27867643098091 -1.7562 -0.9744 3068024 PK04_094035 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B16 compound treatment -1.187 -0.665 -0.59 -0.842 -0.309 -0.29 -1.298 -0.829565830721003 -0.819383804606728 -0.9822 -0.9351 3000709 PK04_094036 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B17 compound treatment -1.638 -1.12 -0.99 -1.044 -0.511 -0.49 -0.714 -0.245565830721003 -0.242551774923886 -0.9905 -0.8794 3186443 PK04_094037 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B18 compound treatment -1.098 -0.576 -0.51 -1.615 -1.08 -1.03 -0.703 -0.234565830721003 -0.231686788063421 -1.0226 -0.8721 3089363 PK04_094038 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B19 compound treatment -1.429 -0.907 -0.8 -1.19 -0.657 -0.63 -1.025 -0.556565830721003 -0.549734585251563 -1.1415 -0.9874 3068025 PK04_094039 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B20 compound treatment -0.913 -0.391 -0.35 -1.068 -0.535 -0.51 -0.5 -0.031565830721003 -0.0311783941839403 -0.5116 -0.83 3089652 PK04_094040 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B21 compound treatment -1.685 -1.16 -1.03 -1.75 -1.22 -1.16 -1.429 -0.960565830721003 -0.948775920854077 -1.8105 -0.9966 3186444 PK04_094041 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B22 compound treatment -1.164 -0.642 -0.57 -1.344 -0.811 -0.77 -1.217 -0.748565830721003 -0.73937799227058 -1.2004 -0.9917 3089653 PK04_094042 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B23 compound treatment -1.318 -0.796 -0.7 -1.208 -0.675 -0.64 -1.391 -0.922565830721003 -0.911242329881564 -1.3034 -0.9885 3186445 PK04_094043 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 B24 compound treatment -0.676 -0.154 -0.14 -1.0 -0.467 -0.44 -1.03 -0.561565830721003 -0.554673215642684 -0.6555 -0.9055 3089657 PK04_094044 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C01 compound treatment -0.976 -0.454 -0.4 -2.041 -1.51 -1.44 -1.925 -1.456565830721 -1.4386880556532 -1.8915 -0.9128 3068026 PK04_094045 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C02 compound treatment -1.529 -1.01 -0.89 -1.52 -0.987 -0.94 -1.744 -1.275565830721 -1.25990963549465 -1.784 -0.9876 3068051 PK04_094046 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C03 compound treatment -0.335 0.187 0.17 -1.857 -1.32 -1.26 -2.407 -1.938565830721 -1.91477202535719 -1.738 -0.756 3068052 PK04_094047 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C04 compound treatment -1.172 -0.65 -0.57 -1.58 -1.05 -1.0 -1.833 -1.364565830721 -1.34781725645659 -1.6856 -0.951 3068053 PK04_094048 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCOCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C05 compound treatment -1.906 -1.38 -1.22 -1.345 -0.812 -0.77 -1.015 -0.546565830721003 -0.539857324469323 -1.4645 -0.9481 3068054 PK04_094049 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C06 compound treatment -1.561 -1.04 -0.92 -1.212 -0.679 -0.65 -1.6 -1.131565830721 -1.11767708023039 -1.5488 -0.9775 3186446 PK04_094050 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C07 compound treatment -0.523 -5.55E-4 0.0 1.314 1.85 1.53 1.279 1.747434169279 1.52305963627834 1.7626 0.8164 3068055 PK04_094051 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C08 compound treatment -0.777 -0.255 -0.23 -2.0 -1.47 -1.4 -0.943 -0.474565830721003 -0.468741046837192 -1.2074 -0.8097 3186447 PK04_094052 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C09 compound treatment -1.205 -0.683 -0.6 -2.096 -1.56 -1.49 -1.507 -1.038565830721 -1.02581855495555 -1.8003 -0.9445 3068056 PK04_094053 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C10 compound treatment -1.086 -0.564 -0.5 -1.806 -1.27 -1.21 -1.662 -1.193565830721 -1.17891609708028 -1.6684 -0.9463 3186448 PK04_094054 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C11 mock treatment -0.578 -0.0556 -0.05 -0.783 -0.25 -0.24 -0.757 -0.288565830721003 -0.28502399628752 -0.3304 -0.8819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C12 mock treatment -1.179 -0.657 -0.58 -1.444 -0.911 -0.87 -1.485 -1.016565830721 -1.00408858123462 -1.4159 -0.9775 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C13 compound treatment -1.179 -0.657 -0.58 -2.042 -1.51 -1.44 -2.076 -1.607565830721 -1.58783469346503 -2.0818 -0.9381 3186449 PK04_094055 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C14 compound treatment -1.735 -1.21 -1.07 -1.617 -1.08 -1.03 -1.797 -1.328565830721 -1.31225911764053 -1.9728 -0.9942 3068057 PK04_094056 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C15 mock treatment -1.112 -0.59 -0.52 -0.865 -0.332 -0.32 -0.917 -0.448565830721003 -0.443060168803367 -0.7393 -0.981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C16 mock treatment -0.889 -0.367 -0.32 -1.08 -0.547 -0.52 -0.877 -0.408565830721003 -0.403551125674405 -0.7209 -0.9816 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C17 compound treatment -1.828 -1.31 -1.15 -1.573 -1.04 -0.99 -1.348 -0.879565830721003 -0.86877010851793 -1.74 -0.9933 3186450 PK04_094057 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C18 compound treatment -2.221 -1.7 -1.5 -1.758 -1.22 -1.17 -1.424 -0.955565830721003 -0.943837290462957 -2.0857 -0.9824 3186451 PK04_094058 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C19 compound treatment -0.459 0.0634 0.06 -0.331 0.202 0.19 -0.239 0.229434169278997 0.226618112232535 0.2744 0.9067 3068058 PK04_094059 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C20 compound treatment -1.046 -0.524 -0.46 -1.875 -1.34 -1.28 -1.049 -0.580565830721003 -0.57344001112894 -1.3364 -0.9057 3186452 PK04_094060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C21 compound treatment -0.233 0.289 0.26 -1.704 -1.17 -1.12 -1.155 -0.686565830721003 -0.678138975420689 -0.8878 -0.6674 3068059 PK04_094061 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C22 compound treatment -1.093 -0.571 -0.5 -1.696 -1.16 -1.11 -1.588 -1.119565830721 -1.1058243672917 -1.5693 -0.9542 3186453 PK04_094062 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C23 compound treatment -1.94 -1.42 -1.25 -1.773 -1.24 -1.18 -1.611 -1.142565830721 -1.12854206709085 -2.0571 -0.9991 3186454 PK04_094063 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 C24 compound treatment -1.049 -0.527 -0.47 -1.563 -1.03 -0.98 -1.449 -0.980565830721003 -0.968530442418558 -1.3944 -0.9583 3068060 PK04_094064 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D01 compound treatment -0.333 0.189 0.17 -0.961 -0.428 -0.41 -1.057 -0.588565830721003 -0.581341819754733 -0.4743 -0.6502 3186455 PK04_094065 CN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D02 compound treatment -0.873 -0.351 -0.31 -0.735 -0.202 -0.19 -1.0 -0.531565830721003 -0.525041433295962 -0.5931 -0.9278 3000713 PK04_094066 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D03 compound treatment -1.136 -0.614 -0.54 -1.294 -0.761 -0.72 -1.36 -0.891565830721003 -0.880622821456618 -1.2401 -0.9819 3186456 PK04_094067 CCCN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D04 compound treatment -0.802 -0.28 -0.25 -0.743 -0.21 -0.2 -0.649 -0.180565830721003 -0.178349579839323 -0.3611 -0.9906 3089658 PK04_094068 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D05 compound treatment -0.845 -0.323 -0.29 -1.103 -0.57 -0.54 -0.8 -0.331565830721003 -0.327496217651154 -0.6672 -0.9596 3068061 PK04_094069 CCCN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D06 compound treatment -0.683 -0.161 -0.14 -0.879 -0.346 -0.33 -0.793 -0.324565830721003 -0.320582135103585 -0.4573 -0.9504 3089659 PK04_094070 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D07 compound treatment -1.156 -0.634 -0.56 -1.66 -1.13 -1.07 -0.761 -0.292565830721003 -0.288974900600416 -1.1101 -0.8917 3186457 PK04_094071 CCCN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D08 compound treatment -0.58 -0.0576 -0.05 3.049 3.58 1.74 1.324 1.792434169279 1.53336135556147 1.8621 0.802 3089664 PK04_094072 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D09 compound treatment -0.322 0.2 0.18 -0.87 -0.337 -0.32 -0.107 0.361434169278997 0.356997954558109 0.1231 0.2405 3068062 PK04_094073 CCCN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D10 compound treatment -1.184 -0.662 -0.58 -1.366 -0.833 -0.79 -0.8 -0.331565830721003 -0.327496217651154 -0.9849 -0.9482 3000714 PK04_094074 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D11 mock treatment -0.03 0.492 0.44 -0.722 -0.189 -0.18 0.417 0.885434169278997 0.874566419547508 0.6524 0.6567 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D12 mock treatment -1.543 -1.02 -0.9 -1.072 -0.539 -0.51 -0.91 -0.441565830721003 -0.436146086255798 -1.0692 -0.9495 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D13 compound treatment -0.574 -0.0516 -0.05 -0.63 -0.097 -0.09 -1.015 -0.546565830721003 -0.539857324469323 -0.3913 -0.712 3186504 PK04_094075 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D14 compound treatment -0.762 -0.24 -0.21 -0.946 -0.413 -0.39 -0.852 -0.383565830721003 -0.378857973718804 -0.5681 -0.9699 3089660 PK04_094076 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D15 mock treatment -0.959 -0.437 -0.39 -0.561 -0.028 -0.03 -1.047 -0.578565830721003 -0.571464558972492 -0.5681 -0.8233 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D16 mock treatment -0.492 0.0304 0.03 -0.493 0.04 0.04 -0.505 -0.036565830721003 -0.0361170245750606 0.0167 0.2832 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D17 compound treatment -1.007 -0.485 -0.43 -1.141 -0.608 -0.58 -1.167 -0.698565830721003 -0.689991688359378 -0.9801 -0.9825 3186505 PK04_094077 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D18 compound treatment -0.09 0.432 0.38 -1.0 -0.467 -0.44 -0.843 -0.374565830721003 -0.369968439014787 -0.2497 -0.3601 3000715 PK04_094078 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D19 compound treatment -1.477 -0.955 -0.84 -1.643 -1.11 -1.06 -1.024 -0.555565830721003 -0.548746859173339 -1.4145 -0.9689 3068063 PK04_094079 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D20 compound treatment -0.461 0.0614 0.05 -1.186 -0.653 -0.62 -0.212 0.256434169278997 0.253286716344584 -0.1815 -0.2694 3089662 PK04_094080 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D21 compound treatment -0.38 0.142 0.13 -1.214 -0.681 -0.65 -0.082 0.386434169278997 0.38169110651371 -0.0815 -0.1067 3186506 PK04_094081 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D22 compound treatment -1.133 -0.611 -0.54 -0.901 -0.368 -0.35 -0.967 -0.498565830721003 -0.492446472714569 -0.7983 -0.9851 3000716 PK04_094082 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D23 compound treatment -1.208 -0.686 -0.61 -1.5 -0.967 -0.92 -1.057 -0.588565830721003 -0.581341819754733 -1.2174 -0.9766 3068064 PK04_094083 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 D24 compound treatment -1.377 -0.855 -0.76 -0.952 -0.419 -0.4 -0.697 -0.228565830721003 -0.225760431594077 -0.797 -0.9018 3000811 PK04_094084 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E01 mock treatment -1.58 -1.06 -0.93 -1.151 -0.618 -0.59 -1.235 -0.766565830721003 -0.757157061678613 -1.3168 -0.9831 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E02 mock treatment -1.588 -1.07 -0.94 -1.191 -0.658 -0.63 -1.317 -0.848565830721003 -0.838150600092984 -1.3897 -0.9869 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E03 compound treatment -1.606 -1.08 -0.96 -1.828 -1.29 -1.23 -1.868 -1.399565830721 -1.38238766919443 -2.0634 -0.9893 3186507 PK04_094085 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E04 compound treatment -1.969 -1.45 -1.28 -2.246 -1.71 -1.63 -2.37 -1.901565830721 -1.8782261604629 -2.7649 -0.9883 3186508 PK04_094086 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E05 compound treatment -2.041 -1.52 -1.34 -2.356 -1.82 -1.74 -2.239 -1.770565830721 -1.74883404421555 -2.7875 -0.9932 3068065 PK04_094087 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E06 compound treatment -1.903 -1.38 -1.22 -1.896 -1.36 -1.3 -1.935 -1.466565830721 -1.44856531643544 -2.2907 -0.9974 3186509 PK04_094088 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E07 compound treatment -2.071 -1.55 -1.37 -1.871 -1.34 -1.27 -1.977 -1.508565830721 -1.49004981172085 -2.3866 -0.998 3068066 PK04_094089 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E08 compound treatment -1.661 -1.14 -1.01 -1.478 -0.945 -0.9 -1.702 -1.233565830721 -1.21842514020924 -1.8044 -0.992 3186510 PK04_094090 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E09 mock treatment -1.406 -0.884 -0.78 -1.379 -0.846 -0.81 -1.137 -0.668565830721003 -0.660359906012656 -1.2975 -0.9964 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E10 mock treatment -1.105 -0.583 -0.52 -1.123 -0.59 -0.56 -1.0 -0.531565830721003 -0.525041433295962 -0.925 -0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E11 compound treatment -1.672 -1.15 -1.02 -2.0 -1.47 -1.4 -2.347 -1.878565830721 -1.85550846066375 -2.4649 -0.9721 3186511 PK04_094091 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E12 compound treatment -2.135 -1.61 -1.43 -1.61 -1.08 -1.03 -1.985 -1.516565830721 -1.49795162034665 -2.2803 -0.9878 3068067 PK04_094092 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E13 compound treatment -2.169 -1.65 -1.46 -2.013 -1.48 -1.41 -2.519 -2.050565830721 -2.02539734611829 -2.8238 -0.9856 3186512 PK04_094093 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E14 compound treatment -2.026 -1.5 -1.33 -1.581 -1.05 -1.0 -1.481 -1.012565830721 -1.00013767692173 -1.9213 -0.9903 3068068 PK04_094094 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E15 compound treatment -1.222 -0.7 -0.62 -1.357 -0.824 -0.78 -1.351 -0.882565830721003 -0.871733286752602 -1.3136 -0.9905 3186513 PK04_094095 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E16 compound treatment -1.333 -0.811 -0.72 -1.424 -0.891 -0.85 -1.532 -1.063565830721 -1.05051170691115 -1.5103 -0.9878 3068069 PK04_094096 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E17 mock treatment -0.869 -0.347 -0.31 -1.362 -0.829 -0.79 -1.17 -0.701565830721003 -0.69295486659405 -1.0329 -0.9438 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E18 mock treatment -1.934 -1.41 -1.25 -1.532 -0.999 -0.95 -1.378 -0.909565830721003 -0.898401890864651 -1.7886 -0.9891 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E19 compound treatment -2.625 -2.1 -1.86 -2.197 -1.66 -1.59 -2.089 -1.620565830721 -1.60067513248195 -2.9126 -0.9972 3186514 PK04_094097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E20 compound treatment -1.857 -1.33 -1.18 -2.0 -1.47 -1.4 -2.163 -1.694565830721 -1.67376686227053 -2.4544 -0.99 3186515 PK04_094098 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E21 compound treatment -1.849 -1.33 -1.17 -1.905 -1.37 -1.31 -1.824 -1.355565830721 -1.33892772175257 -2.2047 -0.9984 3068070 PK04_094099 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E22 compound treatment -2.0 -1.48 -1.31 -1.841 -1.31 -1.25 -2.018 -1.549565830721 -1.53054658092804 -2.3572 -0.996 3186516 PK04_094100 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E23 compound treatment -1.725 -1.2 -1.06 -1.87 -1.34 -1.27 -2.139 -1.670565830721 -1.65006143639315 -2.3018 -0.9837 3068071 PK04_094101 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 E24 compound treatment -2.088 -1.57 -1.38 -1.709 -1.18 -1.12 -2.277 -1.808565830721 -1.78636763518807 -2.4773 -0.9822 3186517 PK04_094102 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F01 mock treatment -1.323 -0.801 -0.71 -0.682 -0.149 -0.14 -1.321 -0.852565830721003 -0.842101504405881 -0.9767 -0.8806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F02 mock treatment -1.276 -0.754 -0.67 -1.207 -0.674 -0.64 -1.038 -0.569565830721003 -0.562575024268476 -1.0801 -0.9975 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F03 compound treatment -2.254 -1.73 -1.53 -1.551 -1.02 -0.97 -2.39 -1.921565830721 -1.89798068202738 -2.5395 -0.9677 3068072 PK04_094103 CN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F04 compound treatment -1.108 -0.586 -0.52 -1.078 -0.545 -0.52 -1.441 -0.972565830721003 -0.960628633792766 -1.1532 -0.9543 3000813 PK04_094104 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F05 compound treatment -2.02 -1.5 -1.32 -1.229 -0.696 -0.66 -1.343 -0.874565830721003 -0.863831478126809 -1.6459 -0.9601 3186518 PK04_094105 CN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F06 compound treatment -1.224 -0.702 -0.62 -1.316 -0.783 -0.75 -0.305 0.163434169278997 0.161428191069748 -0.6955 -0.7073 3000814 PK04_094106 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F07 compound treatment -1.048 -0.526 -0.46 -0.877 -0.344 -0.33 -0.575 -0.106565830721003 -0.105257850050744 -0.5182 -0.8962 3186519 PK04_094107 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F08 compound treatment -1.047 -0.525 -0.46 -1.183 -0.65 -0.62 -0.688 -0.219565830721003 -0.216870896890061 -0.7504 -0.9341 3089667 PK04_094108 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F09 mock treatment -1.427 -0.905 -0.8 -1.486 -0.953 -0.91 -1.173 -0.704565830721003 -0.695918044828722 -1.3876 -0.9942 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F10 mock treatment -1.101 -0.579 -0.51 -1.194 -0.661 -0.63 -0.958 -0.489565830721003 -0.483556938010553 -0.938 -0.9932 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F11 compound treatment -1.122 -0.6 -0.53 -0.947 -0.414 -0.39 -1.074 -0.605565830721003 -0.598133163084542 -0.879 -0.9864 3068073 PK04_094109 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F12 compound treatment -0.448 0.0744 0.07 -1.342 -0.809 -0.77 -1.013 -0.544565830721003 -0.537881872312875 -0.7175 -0.7616 3089654 PK04_094110 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F13 compound treatment -1.025 -0.503 -0.44 -1.538 -1.0 -0.96 -1.533 -1.064565830721 -1.05149943298938 -1.4163 -0.9507 3186520 PK04_094111 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F14 compound treatment -0.794 -0.272 -0.24 -1.427 -0.894 -0.85 -1.293 -0.824565830721003 -0.814445174215607 -1.1005 -0.9151 3089708 PK04_094112 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F15 compound treatment -1.479 -0.957 -0.85 -1.13 -0.597 -0.57 -1.4 -0.931565830721003 -0.92013186458558 -1.3478 -0.9816 3186521 PK04_094113 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F16 compound treatment -1.0 -0.478 -0.42 -0.905 -0.372 -0.35 -1.367 -0.898565830721003 -0.887536904004187 -0.9608 -0.9196 3000817 PK04_094114 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F17 mock treatment -1.388 -0.866 -0.77 -1.014 -0.481 -0.46 -0.921 -0.452565830721003 -0.447011073116263 -0.9644 -0.9667 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F18 mock treatment -1.26 -0.738 -0.65 -1.167 -0.634 -0.6 -0.224 0.244434169278997 0.241434003405896 -0.5858 -0.636 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F19 compound treatment -1.062 -0.54 -0.48 -1.024 -0.491 -0.47 -1.039 -0.570565830721003 -0.5635627503467 -0.8708 -0.9963 3068074 PK04_094115 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F20 compound treatment -1.017 -0.495 -0.44 -1.35 -0.817 -0.78 -0.373 0.095434169278997 0.0942628177505133 -0.6474 -0.7212 3089709 PK04_094116 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F21 compound treatment -1.584 -1.06 -0.94 -1.653 -1.12 -1.07 -1.481 -1.012565830721 -1.00013767692173 -1.7353 -0.9986 3186522 PK04_094117 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F22 compound treatment -1.069 -0.547 -0.48 -1.085 -0.552 -0.53 -1.213 -0.744565830721003 -0.735427087957684 -1.0072 -0.9825 3000821 PK04_094118 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F23 compound treatment -1.217 -0.695 -0.61 -0.649 -0.116 -0.11 -0.742 -0.273565830721003 -0.270208105114159 -0.5743 -0.8447 3186523 PK04_094119 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 F24 compound treatment 0.14 0.662 0.59 -0.704 -0.171 -0.16 -0.603 -0.134565830721003 -0.132914180241017 0.1674 0.269 3089711 PK04_094120 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G01 compound treatment -1.568 -1.05 -0.92 -2.074 -1.54 -1.47 -1.975 -1.506565830721 -1.48807435956441 -2.2404 -0.9802 3068075 PK04_094121 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G02 compound treatment -1.733 -1.21 -1.07 -1.406 -0.873 -0.83 -1.693 -1.224565830721 -1.20953560550522 -1.7964 -0.9889 3186524 PK04_094122 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G03 mock treatment -1.141 -0.619 -0.55 -0.789 -0.256 -0.24 -1.05 -0.581565830721003 -0.574427737207165 -0.7882 -0.9499 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G04 mock treatment -1.032 -0.51 -0.45 -0.917 -0.384 -0.37 -1.086 -0.617565830721003 -0.60998587602323 -0.8234 -0.9781 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G05 compound treatment -0.869 -0.347 -0.31 -1.108 -0.575 -0.55 -1.095 -0.626565830721003 -0.618875410727247 -0.8504 -0.9649 3186575 PK04_094123 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G06 compound treatment -1.521 -0.999 -0.88 -0.746 -0.213 -0.2 -1.42 -0.951565830721003 -0.939886386150061 -1.1695 -0.8959 3186576 PK04_094124 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G07 compound treatment -0.652 -0.13 -0.11 -1.224 -0.691 -0.66 -0.739 -0.270565830721003 -0.267244926879487 -0.6005 -0.8344 3068110 PK04_094125 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G08 compound treatment -1.034 -0.512 -0.45 -2.159 -1.63 -1.55 -1.12 -0.651565830721003 -0.643568562682848 -1.527 -0.879 3186577 PK04_094126 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G09 compound treatment -1.429 -0.907 -0.8 -2.529 -2.0 -1.9 -2.057 -1.588565830721 -1.56906789797878 -2.4664 -0.9515 3068111 PK04_094127 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G10 compound treatment -1.564 -1.04 -0.92 -1.926 -1.39 -1.33 -1.638 -1.169565830721 -1.1552106712029 -1.9648 -0.9894 3186578 PK04_094128 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G11 compound treatment -2.044 -1.52 -1.35 -1.844 -1.31 -1.25 -1.773 -1.304565830721 -1.28855369176315 -2.2416 -0.9995 3186579 PK04_094129 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G12 compound treatment -1.484 -0.962 -0.85 -2.072 -1.54 -1.47 -1.803 -1.334565830721 -1.31818547410987 -2.0983 -0.9773 3068112 PK04_094130 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G13 compound treatment -0.981 -0.459 -0.41 -0.533 4.82E-5 0.0 -1.051 -0.582565830721003 -0.575415463285389 -0.5663 -0.8045 3186580 PK04_094131 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCCN3CCOCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G14 compound treatment -1.222 -0.7 -0.62 -1.281 -0.748 -0.71 -1.526 -1.057565830721 -1.04458535044181 -1.3716 -0.9744 3186581 PK04_094132 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G15 compound treatment -1.049 -0.527 -0.47 -1.5 -0.967 -0.92 -1.797 -1.328565830721 -1.31225911764053 -1.5582 -0.9333 3068113 PK04_094133 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G16 compound treatment -1.825 -1.3 -1.15 -2.151 -1.62 -1.54 -2.55 -2.081565830721 -2.05601685454323 -2.7418 -0.9737 3186582 PK04_094134 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G17 compound treatment -1.143 -0.621 -0.55 -1.012 -0.479 -0.46 -0.967 -0.498565830721003 -0.492446472714569 -0.8645 -0.9971 3186583 PK04_094135 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G18 compound treatment -1.671 -1.15 -1.02 -1.39 -0.857 -0.82 -2.099 -1.630565830721 -1.61055239326419 -1.9875 -0.9594 3068114 PK04_094136 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G19 mock treatment -0.51 0.0124 0.01 -0.246 0.287 0.27 -0.426 0.042434169278997 0.0419133356046389 0.1884 0.6806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G20 mock treatment -0.902 -0.38 -0.34 -1.065 -0.532 -0.51 -0.429 0.039434169278997 0.0389501573699668 -0.4638 -0.7616 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G21 compound treatment -1.176 -0.654 -0.58 -2.091 -1.56 -1.48 -1.731 -1.262565830721 -1.24706919647774 -1.9105 -0.9445 3186584 PK04_094137 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G22 compound treatment -1.229 -0.707 -0.62 -1.657 -1.12 -1.07 -1.545 -1.076565830721 -1.06335214592807 -1.5928 -0.9752 3068115 PK04_094138 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G23 compound treatment -2.0 -1.48 -1.31 -1.788 -1.25 -1.2 -1.606 -1.137565830721 -1.12360343669973 -2.0931 -0.9981 3186585 PK04_094139 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 G24 compound treatment -1.452 -0.93 -0.82 -2.206 -1.67 -1.59 -1.8 -1.331565830721 -1.3152222958752 -2.154 -0.9686 3186586 PK04_094140 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H01 compound treatment -0.362 0.16 0.14 -0.781 -0.248 -0.24 -0.185 0.283434169278997 0.279955320456634 0.1072 0.2728 3068116 PK04_094141 CCCN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H02 compound treatment -0.898 -0.376 -0.33 -1.119 -0.586 -0.56 -0.957 -0.488565830721003 -0.482569211932328 -0.7926 -0.9795 3000914 PK04_094142 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H03 mock treatment -0.684 -0.162 -0.14 -0.727 -0.194 -0.18 -0.646 -0.177565830721003 -0.175386401604651 -0.2904 -0.9943 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H04 mock treatment -0.276 0.246 0.22 -0.346 0.187 0.18 -0.757 -0.288565830721003 -0.28502399628752 0.0641 0.1601 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H05 compound treatment -0.774 -0.252 -0.22 -1.348 -0.815 -0.78 -0.972 -0.503565830721003 -0.497385103105689 -0.8638 -0.9107 3068117 PK04_094143 CCCN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H06 compound treatment -1.234 -0.712 -0.63 -1.444 -0.911 -0.87 -0.942 -0.473565830721003 -0.467753320758968 -1.1343 -0.9699 3089723 PK04_094144 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H07 compound treatment -0.873 -0.351 -0.31 -0.762 -0.229 -0.22 -0.041 0.427434169278997 0.422187875720896 -0.0611 -0.1077 3186589 PK04_094145 CN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H08 compound treatment -0.932 -0.41 -0.36 -1.117 -0.584 -0.56 -0.7 -0.231565830721003 -0.228723609828749 -0.6623 -0.9433 3089724 PK04_094146 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H09 compound treatment -0.512 0.0104 0.01 -1.0 -0.467 -0.44 -0.207 0.261434169278997 0.258225346735705 -0.1024 -0.1991 3186590 PK04_094147 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(C(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H10 compound treatment 0.99 1.51 1.34 -0.429 0.104 0.1 -0.093 0.375434169278997 0.370826119653246 1.0433 0.75 3000917 PK04_094148 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H11 compound treatment -1.308 -0.786 -0.69 -1.338 -0.805 -0.77 -1.588 -1.119565830721 -1.1058243672917 -1.4822 -0.9787 3068119 PK04_094149 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H12 compound treatment -1.86 -1.34 -1.18 -1.037 -0.504 -0.48 -0.87 -0.401565830721003 -0.396637043126837 -1.1889 -0.8896 3089768 PK04_094150 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H13 compound treatment -0.244 0.278 0.25 -0.438 0.095 0.09 -0.725 -0.256565830721003 -0.25341676178435 0.0481 0.1319 3186593 PK04_094151 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H14 compound treatment -0.918 -0.396 -0.35 -1.205 -0.672 -0.64 -1.043 -0.574565830721003 -0.567513654659596 -0.8991 -0.9729 3089763 PK04_094152 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H15 compound treatment -0.798 -0.276 -0.24 -0.897 -0.364 -0.35 -1.224 -0.755565830721003 -0.746292074818148 -0.7717 -0.8992 3186594 PK04_094153 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H16 compound treatment -0.439 0.0834 0.07 -0.5 0.033 0.03 -0.628 -0.159565830721003 -0.157607332196618 -0.0302 -0.1709 3089764 PK04_094154 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H17 compound treatment -1.153 -0.631 -0.56 -1.579 -1.05 -1.0 -1.023 -0.554565830721003 -0.547759133095115 -1.2134 -0.9582 3068121 PK04_094155 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(C(=O)c5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H18 compound treatment -0.721 -0.199 -0.18 -0.94 -0.407 -0.39 -0.918 -0.449565830721003 -0.444047894881591 -0.5815 -0.9455 3000919 PK04_094156 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H19 mock treatment -0.656 -0.134 -0.12 -0.596 -0.063 -0.06 -0.329 0.139434169278997 0.137722765192371 -0.0233 -0.1218 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H20 mock treatment -0.899 -0.377 -0.33 -0.453 0.08 0.08 -0.523 -0.054565830721003 -0.0538960939830934 -0.1793 -0.5186 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H21 compound treatment -0.597 -0.0746 -0.07 -1.027 -0.494 -0.47 -0.029 0.439434169278997 0.434040588659584 -0.0591 -0.0919 3068122 PK04_094157 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H22 compound treatment -0.722 -0.2 -0.18 -0.178 0.355 0.34 -0.042 0.426434169278997 0.421200149642672 0.3366 0.5923 3089766 PK04_094158 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H23 compound treatment -0.913 -0.391 -0.35 -1.014 -0.481 -0.46 -0.704 -0.235565830721003 -0.232674514141645 -0.5982 -0.9663 3068123 PK04_094159 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 H24 compound treatment -1.659 -1.14 -1.0 -0.817 -0.284 -0.27 -1.056 -0.587565830721003 -0.580354093676509 -1.0714 -0.8992 3089769 PK04_094160 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I01 compound treatment -1.074 -0.552 -0.49 -1.298 -0.765 -0.73 -1.484 -1.015565830721 -1.0031008551564 -1.2814 -0.9618 3186651 PK04_094161 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I02 compound treatment -2.098 -1.58 -1.39 -1.69 -1.16 -1.1 -2.012 -1.543565830721 -1.5246202244587 -2.3208 -0.9914 3068124 PK04_094162 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I03 compound treatment -0.989 -0.467 -0.41 -1.524 -0.991 -0.94 -1.475 -1.006565830721 -0.994211320452383 -1.3572 -0.948 3186652 PK04_094163 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I04 compound treatment -1.838 -1.32 -1.16 -2.25 -1.72 -1.64 -2.02 -1.551565830721 -1.53252203308449 -2.5007 -0.9903 3068125 PK04_094164 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I05 mock treatment -1.14 -0.618 -0.55 -1.413 -0.88 -0.84 -1.267 -0.798565830721003 -0.788764296181782 -1.2546 -0.9848 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I06 mock treatment -2.016 -1.49 -1.32 -1.534 -1.0 -0.95 -1.522 -1.053565830721 -1.04063444612891 -1.9137 -0.9901 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I07 compound treatment -1.541 -1.02 -0.9 -1.59 -1.06 -1.01 -1.8 -1.331565830721 -1.3152222958752 -1.8606 -0.9869 3186653 PK04_094165 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I08 compound treatment -1.846 -1.32 -1.17 -1.786 -1.25 -1.19 -2.02 -1.551565830721 -1.53252203308449 -2.2495 -0.992 3068126 PK04_094166 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I09 compound treatment -0.871 -0.349 -0.31 -1.323 -0.79 -0.75 -1.226 -0.757565830721003 -0.748267526974596 -1.0444 -0.9451 3186654 PK04_094167 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I10 compound treatment -1.948 -1.43 -1.26 -1.857 -1.32 -1.26 -1.954 -1.485565830721 -1.4673321119217 -2.303 -0.9973 3068572 PK04_094168 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I11 compound treatment -1.525 -1.0 -0.89 -1.634 -1.1 -1.05 -2.077 -1.608565830721 -1.58882241954326 -2.0346 -0.9688 3186655 PK04_094169 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I12 compound treatment -1.5 -0.978 -0.86 -1.861 -1.33 -1.27 -1.985 -1.516565830721 -1.49795162034665 -2.0942 -0.9774 3186656 PK04_094170 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I13 compound treatment -2.556 -2.03 -1.8 -1.875 -1.34 -1.28 -1.902 -1.433565830721 -1.41597035585405 -2.5936 -0.9894 3068573 PK04_094171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I14 compound treatment -1.5 -0.978 -0.86 -2.351 -1.82 -1.73 -1.667 -1.198565830721 -1.1838547274714 -2.1824 -0.9619 3186657 PK04_094172 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I15 compound treatment -3.045 -2.52 -2.23 -2.054 -1.52 -1.45 -1.6 -1.131565830721 -1.11767708023039 -2.7694 -0.96 3068574 PK04_094173 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I16 compound treatment -1.735 -1.21 -1.07 -2.268 -1.73 -1.65 -1.419 -0.950565830721003 -0.938898660071837 -2.1153 -0.9693 3186658 PK04_094174 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I17 compound treatment -2.746 -2.22 -1.97 -3.178 -2.64 -2.52 -1.652 -1.183565830721 -1.16903883629804 -3.2647 -0.9594 3186659 PK04_094175 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I18 compound treatment -1.57 -1.05 -0.93 -1.524 -0.991 -0.94 -2.077 -1.608565830721 -1.58882241954326 -1.9971 -0.9661 3068575 PK04_094176 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I19 compound treatment -1.779 -1.26 -1.11 -2.111 -1.58 -1.5 -2.0 -1.531565830721 -1.51276751152001 -2.3827 -0.9909 3186660 PK04_094177 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I20 compound treatment -1.138 -0.616 -0.54 -1.312 -0.779 -0.74 -1.944 -1.475565830721 -1.45745485113946 -1.5841 -0.919 3068577 PK04_094178 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I21 mock treatment -1.509 -0.987 -0.87 -1.299 -0.766 -0.73 -1.269 -0.800565830721003 -0.79073974833823 -1.3814 -0.9973 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I22 mock treatment -0.845 -0.323 -0.29 -1.175 -0.642 -0.61 -0.909 -0.440565830721003 -0.435158360177574 -0.769 -0.9577 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I23 compound treatment -1.222 -0.7 -0.62 -0.707 -0.174 -0.17 -1.519 -1.050565830721 -1.03767126789424 -1.0519 -0.8627 3186661 PK04_094179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 I24 compound treatment -2.076 -1.55 -1.37 -2.681 -2.15 -2.05 -2.076 -1.607565830721 -1.58783469346503 -2.8911 -0.9862 3186662 PK04_094180 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J01 compound treatment -1.636 -1.11 -0.98 -1.754 -1.22 -1.16 -1.862 -1.393565830721 -1.37646131272509 -2.0346 -0.9908 3068611 PK04_094181 CN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J02 compound treatment -1.22 -0.698 -0.62 -1.202 -0.669 -0.64 -1.125 -0.656565830721003 -0.648507193073968 -1.0984 -0.9998 3089770 PK04_094182 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J03 compound treatment -1.534 -1.01 -0.89 -1.408 -0.875 -0.83 -1.475 -1.006565830721 -0.994211320452383 -1.5716 -0.9973 3068612 PK04_094183 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J04 compound treatment -1.102 -0.58 -0.51 -0.88 -0.347 -0.33 -1.0 -0.531565830721003 -0.525041433295962 -0.7898 -0.9815 3001007 PK04_094184 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J05 mock treatment -1.373 -0.851 -0.75 -0.816 -0.283 -0.27 -1.047 -0.578565830721003 -0.571464558972492 -0.9197 -0.9364 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J06 mock treatment -1.415 -0.893 -0.79 -1.125 -0.592 -0.56 -0.226 0.242434169278997 0.239458551249448 -0.6429 -0.6436 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J07 compound treatment -1.433 -0.911 -0.81 -0.365 0.168 0.16 -1.438 -0.969565830721003 -0.957665455558094 -0.9253 -0.7336 3186665 PK04_094185 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J08 compound treatment -1.109 -0.587 -0.52 -0.914 -0.381 -0.36 -0.488 -0.019565830721003 -0.0193256812452518 -0.5201 -0.8213 3089771 PK04_094186 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J09 compound treatment -1.062 -0.54 -0.48 -1.132 -0.599 -0.57 -0.925 -0.456565830721003 -0.450961977429159 -0.8652 -0.9948 3186666 PK04_094187 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J10 compound treatment -1.025 -0.503 -0.44 -1.045 -0.512 -0.49 -1.129 -0.660565830721003 -0.652458097386864 -0.9148 -0.9859 3089776 PK04_094188 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J11 compound treatment -1.43 -0.908 -0.8 -1.39 -0.857 -0.82 -1.37 -0.901565830721003 -0.890500082238859 -1.4487 -0.9989 3068615 PK04_094189 CCCN1C(=O)[C@]2(COC(=N2)c3ccc(OCCCO)cc3)Cc4ccccc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J12 compound treatment -0.133 0.389 0.34 -0.661 -0.128 -0.12 -0.697 -0.228565830721003 -0.225760431594077 -0.0019 -0.0045 3001011 PK04_094190 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J13 compound treatment -0.604 -0.0816 -0.07 -0.644 -0.111 -0.11 -0.532 -0.063565830721003 -0.0627856286871098 -0.1389 -0.9746 3068616 PK04_094191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J14 compound treatment -0.986 -0.464 -0.41 -0.641 -0.108 -0.1 -0.899 -0.430565830721003 -0.425281099395334 -0.5415 -0.9033 3089772 PK04_094192 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J15 compound treatment 0.0 0.522 0.46 -0.111 0.422 0.4 -0.279 0.189434169278997 0.187109069103573 0.6068 0.9477 3068617 PK04_094193 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J16 compound treatment -0.5 0.0224 0.02 -0.871 -0.338 -0.32 -0.66 -0.191565830721003 -0.189214566699787 -0.2837 -0.7585 3089773 PK04_094194 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J17 compound treatment -0.736 -0.214 -0.19 -0.922 -0.389 -0.37 -0.596 -0.127565830721003 -0.126000097693449 -0.3957 -0.9106 3186732 PK04_094195 CN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J18 compound treatment -0.969 -0.447 -0.39 -1.208 -0.675 -0.64 -1.261 -0.792565830721003 -0.782837939712438 -1.0511 -0.9668 3089774 PK04_094196 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J19 compound treatment -0.831 -0.309 -0.27 -0.763 -0.23 -0.22 -0.867 -0.398565830721003 -0.393673864892165 -0.5113 -0.9707 3186733 PK04_094197 CCCN1C(=O)[C@@]2(Cc3ccccc13)N=C(O[C@H]2c4ccccc4)c5ccc(OCCCO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J20 compound treatment -1.394 -0.872 -0.77 -0.881 -0.348 -0.33 -1.196 -0.727565830721003 -0.718635744627875 -1.0512 -0.9517 3089775 PK04_094198 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J21 mock treatment -0.691 -0.169 -0.15 -0.56 -0.027 -0.03 -0.633 -0.164565830721003 -0.162545962587738 -0.1947 -0.877 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J22 mock treatment -0.925 -0.403 -0.36 -0.746 -0.213 -0.2 -0.73 -0.261565830721003 -0.25835539217547 -0.4718 -0.9741 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J23 compound treatment -1.333 -0.811 -0.72 -1.238 -0.705 -0.67 -1.474 -1.005565830721 -0.993223594374159 -1.3749 -0.9843 3068619 PK04_094199 COC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 J24 compound treatment -1.211 -0.689 -0.61 -1.286 -0.753 -0.72 -1.426 -0.957565830721003 -0.945812742619405 -1.3117 -0.9832 3089828 PK04_094200 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K01 compound treatment -1.046 -0.524 -0.46 -0.815 -0.282 -0.27 -1.092 -0.623565830721003 -0.615912232492574 -0.7779 -0.9534 3068620 PK04_094201 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K02 compound treatment -0.717 -0.195 -0.17 -1.412 -0.879 -0.84 -1.74 -1.271565830721 -1.25595873118176 -1.3079 -0.8609 3186736 PK04_094202 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K03 compound treatment -0.386 0.136 0.12 -1.0 -0.467 -0.44 -0.867 -0.398565830721003 -0.393673864892165 -0.4145 -0.6838 3186737 PK04_094203 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K04 compound treatment -1.633 -1.11 -0.98 -1.713 -1.18 -1.12 -1.525 -1.056565830721 -1.04359762436359 -1.8184 -0.9985 3068660 PK04_094204 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K05 compound treatment -1.118 -0.596 -0.53 -1.098 -0.565 -0.54 -0.797 -0.328565830721003 -0.324533039416481 -0.8021 -0.9783 3186738 PK04_094205 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K06 compound treatment -1.519 -0.997 -0.88 -0.296 0.237 0.23 -1.75 -1.281565830721 -1.265835991964 -1.1091 -0.7116 3068661 PK04_094206 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K07 mock treatment -0.627 -0.105 -0.09 -0.653 -0.12 -0.11 0.082 0.550434169278997 0.543678183342453 0.1945 0.3454 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K08 mock treatment -0.45 0.0724 0.06 -1.062 -0.529 -0.5 -0.212 0.256434169278997 0.253286716344584 -0.1077 -0.1898 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K09 compound treatment -0.801 -0.279 -0.25 -2.109 -1.58 -1.5 -1.493 -1.024565830721 -1.01199038986042 -1.5933 -0.8719 3186739 PK04_094207 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K10 compound treatment -2.256 -1.73 -1.53 -1.968 -1.43 -1.37 -1.754 -1.285565830721 -1.26978689627689 -2.4072 -0.997 3186740 PK04_094208 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K11 compound treatment -1.644 -1.12 -0.99 -1.762 -1.23 -1.17 -1.406 -0.937565830721003 -0.926058221054924 -1.7831 -0.995 3068664 PK04_094209 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K12 compound treatment -1.464 -0.942 -0.83 -2.534 -2.0 -1.91 -1.901 -1.432565830721 -1.41498262977583 -2.3981 -0.9533 3186741 PK04_094210 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K13 compound treatment -1.678 -1.16 -1.02 -1.128 -0.595 -0.57 -1.524 -1.055565830721 -1.04260989828536 -1.519 -0.9701 3068666 PK04_094211 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K14 compound treatment -1.578 -1.06 -0.93 -1.636 -1.1 -1.05 -1.564 -1.095565830721 -1.08211894141432 -1.7702 -0.998 3186742 PK04_094212 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K15 mock treatment -0.971 -0.449 -0.4 -0.558 -0.025 -0.02 -1.227 -0.758565830721003 -0.74925525305282 -0.6753 -0.7962 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K16 mock treatment -1.051 -0.529 -0.47 -0.924 -0.391 -0.37 -1.143 -0.674565830721003 -0.666286262482001 -0.8695 -0.9715 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K17 compound treatment -1.235 -0.713 -0.63 -1.159 -0.626 -0.6 -1.02 -0.551565830721003 -0.544795954860443 -1.0225 -0.9982 3186743 PK04_094213 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K18 compound treatment -2.078 -1.56 -1.38 -1.775 -1.24 -1.18 -1.788 -1.319565830721 -1.30336958293651 -2.2296 -0.9981 3068667 PK04_094214 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K19 compound treatment -0.847 -0.325 -0.29 -0.333 0.2 0.19 -0.673 -0.204565830721003 -0.2020550057167 -0.1723 -0.4314 3186744 PK04_094215 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K20 compound treatment -0.942 -0.42 -0.37 -1.924 -1.39 -1.33 -1.0 -0.531565830721003 -0.525041433295962 -1.2823 -0.8707 3186745 PK04_094216 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K21 compound treatment -1.795 -1.27 -1.13 -2.014 -1.48 -1.41 -1.792 -1.323565830721 -1.30732048724941 -2.2189 -0.9958 3068668 PK04_094217 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K22 compound treatment -1.434 -0.912 -0.81 -1.651 -1.12 -1.07 -1.606 -1.137565830721 -1.12360343669973 -1.7289 -0.9906 3186746 PK04_094218 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K23 mock treatment -0.817 -0.295 -0.26 -1.07 -0.537 -0.51 -0.473 -0.00456583072100297 -0.00450979007189113 -0.4483 -0.781 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 K24 mock treatment -0.922 -0.4 -0.35 -1.197 -0.664 -0.63 -1.025 -0.556565830721003 -0.549734585251563 -0.8865 -0.9748 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L01 compound treatment -0.756 -0.234 -0.21 -0.872 -0.339 -0.32 -1.074 -0.605565830721003 -0.598133163084542 -0.651 -0.9164 3068669 PK04_094219 CCOC(=O)N1C(N=C(N1C(=O)OCC)c2ccc(OCCCO)cc2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L02 compound treatment -0.942 -0.42 -0.37 -1.125 -0.592 -0.56 -1.114 -0.645565830721003 -0.637642206213503 -0.9079 -0.9778 3001020 PK04_094220 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L03 compound treatment -0.756 -0.234 -0.21 -0.867 -0.334 -0.32 -1.048 -0.579565830721003 -0.572452285050717 -0.6334 -0.9224 3068670 PK04_094221 COCCCNC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L04 compound treatment -0.695 -0.173 -0.15 -0.693 -0.16 -0.15 -1.17 -0.701565830721003 -0.69295486659405 -0.5761 -0.7939 3089829 PK04_094222 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L05 compound treatment -0.667 -0.145 -0.13 -0.342 0.191 0.18 -0.484 -0.015565830721003 -0.0153747769323556 0.0224 0.1006 3186813 PK04_094223 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L06 compound treatment -0.642 -0.12 -0.11 -0.687 -0.154 -0.15 -1.077 -0.608565830721003 -0.601096341319214 -0.4927 -0.785 3001022 PK04_094224 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L07 mock treatment -0.481 0.0414 0.04 -0.543 -0.00995 -0.01 -0.614 -0.145565830721003 -0.143779167101481 -0.0673 -0.4529 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L08 mock treatment -0.886 -0.364 -0.32 -0.791 -0.258 -0.25 -0.963 -0.494565830721003 -0.488495568401673 -0.6095 -0.9609 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L09 compound treatment -0.171 0.351 0.31 -0.605 -0.072 -0.07 -0.011 0.457434169278997 0.451819658067617 0.4007 0.7251 3067926 PK04_094225 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L10 compound treatment -0.832 -0.31 -0.27 -0.912 -0.379 -0.36 -0.013 0.455434169278997 0.449844205911169 -0.1067 -0.1672 3089768 PK04_094226 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L11 compound treatment -0.74 -0.218 -0.19 -0.877 -0.344 -0.33 -0.662 -0.193565830721003 -0.191190018856236 -0.4106 -0.9654 3186815 PK04_094227 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L12 compound treatment -2.209 -1.69 -1.49 -1.253 -0.72 -0.69 -1.5 -1.031565830721 -1.01890447240798 -1.8451 -0.9551 3089830 PK04_094228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L13 compound treatment 0.6 1.12 0.99 -0.291 0.242 0.23 -0.212 0.256434169278997 0.253286716344584 0.8523 0.8119 3067927 PK04_094229 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L14 compound treatment -0.592 -0.0696 -0.06 -1.261 -0.728 -0.69 -1.348 -0.879565830721003 -0.86877010851793 -0.9375 -0.8421 3089831 PK04_094230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L15 mock treatment -0.549 -0.0266 -0.02 -0.49 0.043 0.04 -0.5 -0.031565830721003 -0.0311783941839403 -0.0079 -0.1392 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L16 mock treatment -1.121 -0.599 -0.53 -0.904 -0.371 -0.35 -0.695 -0.226565830721003 -0.223784979437629 -0.6388 -0.947 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L17 compound treatment -0.627 -0.105 -0.09 -0.819 -0.286 -0.27 -0.877 -0.408565830721003 -0.403551125674405 -0.4436 -0.8952 3067928 PK04_094231 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L18 compound treatment -1.119 -0.597 -0.53 -1.524 -0.991 -0.94 -0.949 -0.480565830721003 -0.474667403306536 -1.1236 -0.9514 3001180 PK04_094232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L19 compound treatment 0.145 0.667 0.59 -0.842 -0.309 -0.29 -0.096 0.372434169278997 0.367862941418573 0.3831 0.5074 3067929 PK04_094233 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L20 compound treatment -0.395 0.127 0.11 -1.111 -0.578 -0.55 -1.187 -0.718565830721003 -0.709746209923859 -0.6626 -0.7319 3001092 PK04_094234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L21 compound treatment -0.982 -0.46 -0.41 -1.475 -0.942 -0.9 -1.397 -0.928565830721003 -0.917168686350908 -1.2822 -0.9526 3067930 PK04_094235 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L22 compound treatment -1.27 -0.748 -0.66 -1.482 -0.949 -0.9 -1.016 -0.547565830721003 -0.540845050547547 -1.2158 -0.9776 3001093 PK04_094236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L23 mock treatment -0.676 -0.154 -0.14 -0.875 -0.342 -0.33 -0.626 -0.157565830721003 -0.15563188004017 -0.3563 -0.9238 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 L24 mock treatment -0.901 -0.379 -0.33 -1.638 -1.1 -1.05 -0.919 -0.450565830721003 -0.445035620959815 -1.0579 -0.8884 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M01 compound treatment -3.062 -2.54 -2.25 -2.038 -1.5 -1.43 -1.529 -1.060565830721 -1.04754852867648 -2.7288 -0.9533 3067931 PK04_094237 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M02 compound treatment -1.435 -0.913 -0.81 -1.787 -1.25 -1.19 -0.984 -0.515565830721003 -0.509237816044378 -1.4495 -0.9481 3186821 PK04_094238 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M03 compound treatment -2.382 -1.86 -1.64 -1.708 -1.17 -1.12 -1.475 -1.006565830721 -0.994211320452383 -2.1694 -0.9757 3067933 PK04_094239 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M04 compound treatment -1.623 -1.1 -0.97 -1.764 -1.23 -1.17 -1.143 -0.674565830721003 -0.666286262482001 -1.6235 -0.9762 3186822 PK04_094240 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCCN3CCOCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M05 compound treatment -1.622 -1.1 -0.97 -2.277 -1.74 -1.66 -1.437 -0.968565830721003 -0.95667772947987 -2.0728 -0.9643 3067934 PK04_094241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M06 compound treatment -2.061 -1.54 -1.36 -1.291 -0.758 -0.72 -2.133 -1.664565830721 -1.6441350799238 -2.1515 -0.955 3186823 PK04_094242 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M07 compound treatment -1.911 -1.39 -1.23 -2.358 -1.82 -1.74 -1.979 -1.510565830721 -1.4920252638773 -2.5739 -0.9903 3186824 PK04_094243 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M08 compound treatment -1.024 -0.502 -0.44 -1.418 -0.885 -0.84 -1.638 -1.169565830721 -1.1552106712029 -1.4097 -0.9415 3186825 PK04_094244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M09 mock treatment -1.481 -0.959 -0.85 0.188 0.721 0.69 -1.246 -0.777565830721003 -0.768022048539077 -0.5361 -0.4018 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M10 mock treatment -1.038 -0.516 -0.46 -1.216 -0.683 -0.65 -0.761 -0.292565830721003 -0.288974900600416 -0.8056 -0.953 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M11 compound treatment -1.926 -1.4 -1.24 -1.827 -1.29 -1.23 -2.184 -1.715565830721 -1.69450910991323 -2.4064 -0.9882 3067981 PK04_094245 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M12 compound treatment -1.44 -0.918 -0.81 -1.526 -0.993 -0.95 -1.221 -0.752565830721003 -0.743328896583476 -1.4437 -0.9949 3186826 PK04_094246 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M13 mock treatment -1.547 -1.02 -0.91 -1.139 -0.606 -0.58 -0.757 -0.288565830721003 -0.28502399628752 -1.0208 -0.9186 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M14 mock treatment -1.237 -0.715 -0.63 -1.167 -0.634 -0.6 -0.818 -0.349565830721003 -0.345275287059186 -0.9128 -0.9713 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M15 compound treatment -2.106 -1.58 -1.4 -1.253 -0.72 -0.69 -1.156 -0.687565830721003 -0.679126701498913 -1.5964 -0.9388 3067982 PK04_094247 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M16 compound treatment -1.697 -1.17 -1.04 -1.885 -1.35 -1.29 -1.5 -1.031565830721 -1.01890447240798 -1.9314 -0.994 3186827 PK04_094248 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M17 compound treatment -1.305 -0.783 -0.69 -1.754 -1.22 -1.16 -1.471 -1.002565830721 -0.990260416139487 -1.6427 -0.9796 3067983 PK04_094249 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M18 compound treatment -1.892 -1.37 -1.21 -1.121 -0.588 -0.56 -1.957 -1.488565830721 -1.47029529015637 -1.8713 -0.9426 3186828 PK04_094250 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M19 compound treatment -1.597 -1.07 -0.95 -1.889 -1.36 -1.29 -1.756 -1.287565830721 -1.27176234843334 -2.0285 -0.9912 3186829 PK04_094251 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M20 compound treatment -1.279 -0.757 -0.67 -1.463 -0.93 -0.89 -1.22 -0.751565830721003 -0.742341170505252 -1.3262 -0.9931 3067984 PK04_094252 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M21 compound treatment -1.895 -1.37 -1.21 -1.857 -1.32 -1.26 -1.894 -1.425565830721 -1.40806854722826 -2.2417 -0.998 3186907 PK04_094253 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M22 compound treatment -1.333 -0.811 -0.72 -1.583 -1.05 -1.0 -1.169 -0.700565830721003 -0.691967140515826 -1.3907 -0.9852 3067985 PK04_094254 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M23 compound treatment -1.136 -0.614 -0.54 -1.347 -0.814 -0.78 -1.226 -0.757565830721003 -0.748267526974596 -1.1929 -0.9888 3186908 PK04_094255 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 M24 compound treatment -1.6 -1.08 -0.95 -1.382 -0.849 -0.81 -1.262 -0.793565830721003 -0.783825665790662 -1.4695 -0.9962 3186909 PK04_094256 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N01 compound treatment -1.076 -0.554 -0.49 -1.221 -0.688 -0.66 -0.853 -0.384565830721003 -0.379845699797028 -0.8802 -0.9761 3067986 PK04_094257 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N02 compound treatment -1.347 -0.825 -0.73 -1.125 -0.592 -0.56 -1.436 -0.967565830721003 -0.955690003401646 -1.2982 -0.9778 3186910 PK04_094258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N03 compound treatment -0.209 0.313 0.28 -0.212 0.321 0.31 -0.247 0.221434169278997 0.218716303606743 0.4629 0.9909 3067987 PK04_094259 CN(C)C(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N04 compound treatment -1.078 -0.556 -0.49 -0.914 -0.381 -0.36 -1.122 -0.653565830721003 -0.645544014839296 -0.8658 -0.9743 3186911 PK04_094260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N05 compound treatment -1.508 -0.986 -0.87 -1.705 -1.17 -1.12 -1.286 -0.817565830721003 -0.807531091668039 -1.6139 -0.9899 3414052 PK04_094261 COC(=O)[C@@H]1N=C(O[C@@H]1C)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N06 compound treatment -0.914 -0.392 -0.35 -1.5 -0.967 -0.92 -1.128 -0.659565830721003 -0.65147037130864 -1.1078 -0.9387 3186912 PK04_094262 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N07 compound treatment -0.65 -0.128 -0.11 -0.59 -0.057 -0.05 -0.302 0.166434169278997 0.16439136930442 -0.0015 -0.0074 3186913 PK04_094263 OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N08 compound treatment -1.266 -0.744 -0.66 -0.833 -0.3 -0.29 -1.245 -0.776565830721003 -0.767034322460853 -0.9874 -0.9405 1952953 PK04_094264 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N09 mock treatment -0.842 -0.32 -0.28 -0.614 -0.081 -0.08 -0.957 -0.488565830721003 -0.482569211932328 -0.4862 -0.8614 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N10 mock treatment -1.189 -0.667 -0.59 -1.167 -0.634 -0.6 -1.077 -0.608565830721003 -0.601096341319214 -1.036 -0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N11 compound treatment -1.16 -0.638 -0.56 -1.211 -0.678 -0.65 -1.254 -0.785565830721003 -0.77592385716487 -1.1463 -0.9914 3068027 PK04_094265 CC(=O)OC[C@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N12 compound treatment -1.0 -0.478 -0.42 -1.014 -0.481 -0.46 -1.0 -0.531565830721003 -0.525041433295962 -0.8114 -0.9959 3186914 PK04_094266 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N13 mock treatment -1.095 -0.573 -0.51 -1.21 -0.677 -0.64 -1.011 -0.542565830721003 -0.535906420156427 -0.974 -0.9944 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N14 mock treatment -1.09 -0.568 -0.5 -1.0 -0.467 -0.44 -1.076 -0.607565830721003 -0.60010861524099 -0.893 -0.9924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N15 compound treatment -0.346 0.176 0.16 -0.473 0.06 0.06 -0.484 -0.015565830721003 -0.0153747769323556 0.1142 0.6845 3068028 PK04_094267 CC(=O)OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N16 compound treatment -0.323 0.199 0.18 -0.433 0.1 0.1 -0.545 -0.076565830721003 -0.0756260677040224 0.1132 0.5283 3186915 PK04_094268 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N17 compound treatment -0.215 0.307 0.27 0.03 0.563 0.54 0.075 0.543434169278997 0.536764100794885 0.7765 0.9634 3068029 PK04_094269 CC(=O)OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N18 compound treatment -1.16 -0.638 -0.56 -1.705 -1.17 -1.12 -1.288 -0.819565830721003 -0.809506543824487 -1.4374 -0.9648 1952947 PK04_094270 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@@H](Cc5ccccc5)C/C=C/C[C@H](Cc6ccccc6)C(=O)O[C@@H]14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N19 compound treatment -0.986 -0.464 -0.41 -0.828 -0.295 -0.28 -0.183 0.285434169278997 0.281930772613082 -0.2361 -0.4132 3068030 PK04_094271 OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N20 compound treatment -1.667 -1.14 -1.01 -1.365 -0.832 -0.79 -1.927 -1.458565830721 -1.44066350780965 -1.8736 -0.9704 3186916 PK04_094272 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N21 compound treatment -1.149 -0.627 -0.55 -0.983 -0.45 -0.43 -1.143 -0.674565830721003 -0.666286262482001 -0.952 -0.9848 3068031 PK04_094273 CC(=O)OC[C@@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N22 compound treatment -1.098 -0.576 -0.51 -1.098 -0.565 -0.54 -1.329 -0.860565830721003 -0.850003313031673 -1.0953 -0.9715 1952944 PK04_094274 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N23 compound treatment -0.795 -0.273 -0.24 -0.965 -0.432 -0.41 -1.164 -0.695565830721003 -0.687028510124705 -0.7734 -0.9247 3186917 PK04_094275 CC(=O)OC[C@H](C=C)N(Cc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 N24 compound treatment -0.879 -0.357 -0.32 -1.08 -0.547 -0.52 -1.232 -0.763565830721003 -0.754193883443941 -0.9183 -0.9473 3413982 PK04_094276 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O01 compound treatment -1.094 -0.572 -0.51 -0.741 -0.208 -0.2 -1.872 -1.403565830721 -1.38633857350733 -1.2065 -0.8104 3068032 PK04_094277 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O02 compound treatment -1.31 -0.788 -0.7 -1.379 -0.846 -0.81 -1.543 -1.074565830721 -1.06137669377162 -1.4801 -0.9844 3186919 PK04_094278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O03 compound treatment -1.338 -0.816 -0.72 -1.513 -0.98 -0.93 -1.446 -0.977565830721003 -0.965567264183886 -1.5127 -0.9924 3068033 PK04_094279 NC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O04 compound treatment -2.517 -1.99 -1.76 -2.063 -1.53 -1.46 -2.621 -2.152565830721 -2.12614540609714 -3.0871 -0.9884 3186920 PK04_094280 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O05 compound treatment -1.896 -1.37 -1.21 -1.53 -0.997 -0.95 -1.327 -0.858565830721003 -0.848027860875225 -1.7391 -0.9884 3068035 PK04_094281 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O06 compound treatment -1.833 -1.31 -1.16 -1.551 -1.02 -0.97 -0.986 -0.517565830721003 -0.511213268200826 -1.524 -0.9554 3186921 PK04_094282 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O07 compound treatment -0.361 0.161 0.14 -0.51 0.023 0.02 -0.571 -0.102565830721003 -0.101306945737847 0.0366 0.2074 3186922 PK04_094283 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O08 compound treatment -1.0 -0.478 -0.42 -1.7 -1.17 -1.11 -0.764 -0.295565830721003 -0.291938078835088 -1.0542 -0.8609 3068037 PK04_094284 CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O09 compound treatment -1.566 -1.04 -0.92 -1.939 -1.41 -1.34 -1.737 -1.268565830721 -1.25299555294708 -2.0294 -0.9885 3186923 PK04_094285 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O10 compound treatment -1.203 -0.681 -0.6 -1.325 -0.792 -0.75 -1.6 -1.131565830721 -1.11767708023039 -1.4283 -0.9672 3068038 PK04_094286 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O11 mock treatment -0.874 -0.352 -0.31 -1.138 -0.605 -0.58 -0.822 -0.353565830721003 -0.349226191372083 -0.7138 -0.9619 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O12 mock treatment -1.084 -0.562 -0.5 -1.339 -0.806 -0.77 -1.212 -0.743565830721003 -0.73443936187946 -1.154 -0.984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O13 compound treatment -0.172 0.35 0.31 -0.459 0.074 0.07 -1.519 -1.050565830721 -1.03767126789424 -0.3795 -0.3497 3186924 PK04_094287 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O14 compound treatment -1.066 -0.544 -0.48 -1.077 -0.544 -0.52 -1.023 -0.554565830721003 -0.547759133095115 -0.8929 -0.9986 3186925 PK04_094288 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O15 compound treatment -0.597 -0.0746 -0.07 -1.675 -1.14 -1.09 -1.659 -1.190565830721 -1.17595291884561 -1.3451 -0.8389 3187013 PK04_094289 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O16 compound treatment -2.119 -1.6 -1.41 -1.851 -1.32 -1.26 -2.033 -1.564565830721 -1.5453624721014 -2.432 -0.9965 3068077 PK04_094290 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O17 compound treatment -1.638 -1.12 -0.99 -1.147 -0.614 -0.58 -0.948 -0.479565830721003 -0.473679677228312 -1.1806 -0.9516 3187014 PK04_094291 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O18 compound treatment -1.585 -1.06 -0.94 -1.578 -1.04 -1.0 -0.901 -0.432565830721003 -0.427256551551782 -1.3638 -0.9511 3187015 PK04_094292 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O19 compound treatment -0.31 0.212 0.19 0.446 0.979 0.93 0.734 1.202434169279 1.18767558634453 1.3326 0.8757 3068081 PK04_094293 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O20 compound treatment -0.867 -0.345 -0.3 -2.19 -1.66 -1.58 -0.948 -0.479565830721003 -0.473679677228312 -1.3607 -0.8119 3187016 PK04_094294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O21 compound treatment -1.518 -0.996 -0.88 -1.96 -1.43 -1.36 -1.538 -1.069565830721 -1.0564380633805 -1.9029 -0.9842 3187017 PK04_094295 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O22 compound treatment -1.381 -0.859 -0.76 -1.483 -0.95 -0.9 -1.569 -1.100565830721 -1.08705757180544 -1.5883 -0.9895 3068083 PK04_094296 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O23 compound treatment -1.367 -0.845 -0.75 -1.386 -0.853 -0.81 -1.518 -1.049565830721 -1.03668354181602 -1.4988 -0.9899 3187018 PK04_094297 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 O24 compound treatment -1.644 -1.12 -0.99 -2.182 -1.65 -1.57 -1.421 -0.952565830721003 -0.940874112228285 -2.0226 -0.9713 3068084 PK04_094298 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P01 compound treatment -0.243 0.279 0.25 -0.162 0.371 0.35 -0.091 0.377434169278997 0.372801571809694 0.562 0.9858 3187019 PK04_094299 CC(=O)OC[C@H](C=C)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P02 compound treatment -1.213 -0.691 -0.61 -1.33 -0.797 -0.76 -1.486 -1.017565830721 -1.00507630731285 -1.3711 -0.9795 3413984 PK04_094300 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P03 compound treatment -0.911 -0.389 -0.34 -0.978 -0.445 -0.42 -1.083 -0.614565830721003 -0.607022697788558 -0.7935 -0.9722 3068086 PK04_094301 COc1ccc(CN([C@H](CO)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P04 compound treatment -1.545 -1.02 -0.9 -1.068 -0.535 -0.51 -0.917 -0.448565830721003 -0.443060168803367 -1.072 -0.95 3413986 PK04_094302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P05 compound treatment -1.03 -0.508 -0.45 -0.868 -0.335 -0.32 -0.908 -0.439565830721003 -0.43417063409935 -0.694 -0.9897 3068087 PK04_094303 COc1cc(CN([C@@H](COC(=O)C)C=C)S(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P06 compound treatment -0.971 -0.449 -0.4 -1.2 -0.667 -0.64 -0.885 -0.416565830721003 -0.411452934300197 -0.8333 -0.9752 1952975 PK04_094304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P07 compound treatment -0.684 -0.162 -0.14 -0.803 -0.27 -0.26 -0.582 -0.113565830721003 -0.112171932598312 -0.2957 -0.9392 3068088 PK04_094305 OCCCNS(=O)(=O)c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P08 compound treatment -0.407 0.115 0.1 -0.886 -0.353 -0.34 -0.836 -0.367565830721003 -0.363054356467219 -0.3448 -0.6824 3413993 PK04_094306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P09 compound treatment -1.013 -0.491 -0.43 -1.394 -0.861 -0.82 -1.309 -0.840565830721003 -0.830248791467192 -1.2033 -0.9665 3068089 PK04_094307 CC[Si](CC)(CC)OC[C@@H](C=C)N(Cc1ccc(OC(=O)C)c(OC)c1)S(=O)(=O)c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P10 compound treatment -0.345 0.177 0.16 -0.982 -0.449 -0.43 -0.887 -0.418565830721003 -0.413428386456645 -0.395 -0.6422 1952969 PK04_094308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5ccccc5)C/C=C/C[C@@H](Cc6ccccc6)C(=O)O[C@@H]14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P11 mock treatment -0.728 -0.206 -0.18 -0.794 -0.261 -0.25 -0.437 0.031434169278997 0.0310483487441744 -0.2305 -0.7448 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P12 mock treatment -1.139 -0.617 -0.55 -1.638 -1.1 -1.05 -1.0 -0.531565830721003 -0.525041433295962 -1.2256 -0.9453 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P13 compound treatment -0.654 -0.132 -0.12 -0.573 -0.04 -0.04 -0.62 -0.151565830721003 -0.149705523570826 -0.1756 -0.9079 3068090 PK04_094309 COc1cc(CO)ccc1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P14 compound treatment -1.461 -0.939 -0.83 -1.4 -0.867 -0.83 -1.622 -1.153565830721 -1.13940705395132 -1.6137 -0.9878 3068091 PK04_094310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P15 compound treatment -1.116 -0.594 -0.52 -1.376 -0.843 -0.8 -1.477 -1.008565830721 -0.996186772608831 -1.3418 -0.9702 3187025 PK04_094311 COc1ccc(CN(C2=CC[C@@]3(C(=O)N)C(=O)C(=C(Cl)C(=O)[C@]3(C2)C#N)Cl)S(=O)(=O)c4ccc(Br)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P16 compound treatment -1.533 -1.01 -0.89 -1.261 -0.728 -0.69 -0.922 -0.453565830721003 -0.447998799194487 -1.1749 -0.9658 3187026 PK04_094312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P17 compound treatment -0.054 0.468 0.41 -0.481 0.052 0.05 -0.649 -0.180565830721003 -0.178349579839323 0.1648 0.3632 3068092 PK04_094313 CC(C)(C)OC(=O)N1[C@H](COC1(C)C)C=C(Br)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P18 compound treatment -0.539 -0.0166 -0.01 -1.262 -0.729 -0.69 0.015 0.483434169278997 0.477500536101442 -0.1337 -0.1586 3187027 PK04_094314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P19 compound treatment -0.466 0.0564 0.05 -0.709 -0.176 -0.17 -0.711 -0.242565830721003 -0.239588596689214 -0.2063 -0.6954 1003211 PK04_094315 CNS(=O)(=O)c1ccc(C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P20 compound treatment -0.786 -0.264 -0.23 -0.784 -0.251 -0.24 -1.093 -0.624565830721003 -0.616899958570798 -0.6287 -0.8963 3187028 PK04_094316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P21 compound treatment -0.685 -0.163 -0.14 -0.667 -0.134 -0.13 -0.515 -0.046565830721003 -0.045994285357301 -0.1832 -0.9271 3068127 PK04_094317 COc1cc(COC(=O)C)ccc1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P22 compound treatment -0.902 -0.38 -0.34 -1.074 -0.541 -0.52 -0.95 -0.481565830721003 -0.47565512938476 -0.7659 -0.9851 3187029 PK04_094318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P23 compound treatment -0.921 -0.399 -0.35 -0.945 -0.412 -0.39 -0.986 -0.517565830721003 -0.511213268200826 -0.7252 -0.9873 3068129 PK04_094319 OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2094 P24 compound treatment -1.343 -0.821 -0.73 -2.296 -1.76 -1.68 -1.256 -0.787565830721003 -0.777899309321318 -1.8376 -0.9244 3413981 PK04_094320 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A01 compound treatment -2.313 -1.79 -1.58 -1.278 -0.745 -0.71 -1.069 -0.600565830721003 -0.593194532693421 -1.6662 -0.9088 3067957 PK04_095001 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A02 compound treatment -1.592 -1.07 -0.95 -1.385 -0.852 -0.81 -0.962 -0.493565830721003 -0.487507842323449 -1.296 -0.9685 3187176 PK04_095002 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A03 compound treatment -1.375 -0.853 -0.75 -0.513 0.02 0.02 -0.84 -0.371565830721003 -0.367005260780115 -0.636 -0.7585 3067577 PK04_095003 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A04 compound treatment -0.943 -0.421 -0.37 -1.333 -0.8 -0.76 -0.875 -0.406565830721003 -0.401575673517957 -0.8865 -0.9449 3187436 PK04_095004 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A05 compound treatment -1.227 -0.705 -0.62 -0.872 -0.339 -0.32 -0.926 -0.457565830721003 -0.451949703507383 -0.807 -0.9669 3186425 PK04_095005 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6I)c7ccc(cc7)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A06 compound treatment -1.887 -1.36 -1.21 -1.0 -0.467 -0.44 -1.933 -1.464565830721 -1.446589864279 -1.7885 -0.9241 3187069 PK04_095006 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A07 compound treatment -1.87 -1.35 -1.19 -1.561 -1.03 -0.98 -1.535 -1.066565830721 -1.05347488514583 -1.8615 -0.9967 3187427 PK04_095007 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A08 compound treatment -0.558 -0.0356 -0.03 -1.111 -0.578 -0.55 -0.788 -0.319565830721003 -0.315643504712465 -0.5183 -0.8156 3187515 PK04_095008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6)c7ccc(cc7)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A09 compound treatment -2.0 -1.48 -1.31 -1.906 -1.37 -1.31 -1.508 -1.039565830721 -1.02680628103378 -2.1022 -0.9941 3187425 PK04_095009 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A10 compound treatment -1.6 -1.08 -0.95 -1.429 -0.896 -0.85 -1.527 -1.058565830721 -1.04557307652003 -1.6465 -0.9966 3068592 PK04_095010 CCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A11 compound treatment -0.605 -0.0826 -0.07 -1.093 -0.56 -0.53 -0.919 -0.450565830721003 -0.445035620959815 -0.6071 -0.8691 3187517 PK04_095011 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A12 compound treatment -1.431 -0.909 -0.8 -1.132 -0.599 -0.57 -1.46 -0.991565830721003 -0.979395429279023 -1.3586 -0.978 3187344 PK04_095012 COCCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A13 mock treatment -2.027 -1.5 -1.33 -1.444 -0.911 -0.87 -1.671 -1.202565830721 -1.1878056317843 -1.9548 -0.9856 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A14 mock treatment -1.152 -0.63 -0.56 -1.478 -0.945 -0.9 -1.026 -0.557565830721003 -0.550722311329788 -1.159 -0.9715 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A15 compound treatment -1.533 -1.01 -0.89 -1.148 -0.615 -0.59 -1.346 -0.877565830721003 -0.866794656361482 -1.3545 -0.9845 3186552 PK04_095013 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A16 compound treatment -1.726 -1.2 -1.06 -1.852 -1.32 -1.26 -1.235 -0.766565830721003 -0.757157061678613 -1.7769 -0.9805 3187439 PK04_095014 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A17 compound treatment -1.217 -0.695 -0.61 -1.256 -0.723 -0.69 -1.315 -0.846565830721003 -0.836175147936536 -1.2349 -0.9917 3187073 PK04_095015 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A18 compound treatment -2.125 -1.6 -1.42 -1.011 -0.478 -0.46 -1.833 -1.364565830721 -1.34781725645659 -1.859 -0.9259 3187272 PK04_095016 COCCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A19 compound treatment -1.792 -1.27 -1.12 -1.466 -0.933 -0.89 -1.233 -0.764565830721003 -0.755181609522165 -1.5972 -0.9867 3187508 PK04_095017 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NC3CC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A20 compound treatment -0.78 -0.258 -0.23 -1.213 -0.68 -0.65 -1.216 -0.747565830721003 -0.738390266192356 -0.9318 -0.9241 3186432 PK04_095018 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A21 compound treatment -2.333 -1.81 -1.6 -1.875 -1.34 -1.28 -1.557 -1.088565830721 -1.07520485886675 -2.283 -0.9868 3068646 PK04_095019 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A22 compound treatment -1.762 -1.24 -1.1 -1.34 -0.807 -0.77 -1.542 -1.073565830721 -1.06038896769339 -1.6888 -0.9889 3068651 PK04_095020 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A23 compound treatment -1.283 -0.761 -0.67 -1.531 -0.998 -0.95 -1.214 -0.745565830721003 -0.736414814035908 -1.3623 -0.9887 3187585 PK04_095021 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 A24 compound treatment -1.549 -1.03 -0.91 -1.324 -0.791 -0.75 -1.418 -0.949565830721003 -0.937910933993613 -1.5005 -0.9957 3187430 PK04_095022 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B01 compound treatment -2.065 -1.54 -1.36 -1.415 -0.882 -0.84 -1.643 -1.174565830721 -1.16014930159402 -1.9423 -0.982 3187519 PK04_095023 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B02 compound treatment -1.56 -1.04 -0.92 -1.45 -0.917 -0.87 -1.393 -0.924565830721003 -0.913217782038012 -1.5612 -0.9998 3186885 PK04_095024 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B03 compound treatment -1.568 -1.05 -0.92 -1.308 -0.775 -0.74 -1.337 -0.868565830721003 -0.857905121657465 -1.4552 -0.9958 3187435 PK04_095025 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B04 compound treatment -1.621 -1.1 -0.97 -1.394 -0.861 -0.82 -1.475 -1.006565830721 -0.994211320452383 -1.6083 -0.9966 3186491 PK04_095026 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B05 compound treatment -1.597 -1.07 -0.95 -1.69 -1.16 -1.1 -1.395 -0.926565830721003 -0.91519323419446 -1.7132 -0.9966 3068539 PK04_095027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(F)cc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B06 compound treatment -2.348 -1.83 -1.61 -2.417 -1.88 -1.79 -1.98 -1.511565830721 -1.49301298995553 -2.83 -0.9971 3186559 PK04_095028 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B07 compound treatment -0.759 -0.237 -0.21 -0.655 -0.122 -0.12 -0.597 -0.128565830721003 -0.126987823771673 -0.2611 -0.9641 3068561 PK04_095029 CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B08 compound treatment -2.268 -1.75 -1.54 -1.914 -1.38 -1.32 -1.931 -1.462565830721 -1.44461441212255 -2.4846 -0.9979 3068322 PK04_095030 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B09 compound treatment -1.373 -0.851 -0.75 -1.302 -0.769 -0.73 -1.182 -0.713565830721003 -0.704807579532738 -1.264 -0.9996 3187432 PK04_095031 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B10 compound treatment -1.508 -0.986 -0.87 -1.848 -1.31 -1.25 -1.887 -1.418565830721 -1.40115446468069 -2.0353 -0.9824 3068145 PK04_095032 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(F)(F)F)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B11 compound treatment -1.062 -0.54 -0.48 -1.192 -0.659 -0.63 -1.476 -1.007565830721 -0.995199046530607 -1.2124 -0.9549 3187265 PK04_095033 CC(C)N1[C@H]([C@H](C(=O)NCCCN(C)C)c2ccccc2C1=O)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B12 compound treatment -0.921 -0.399 -0.35 -0.951 -0.418 -0.4 -1.0 -0.531565830721003 -0.525041433295962 -0.7364 -0.9856 3186629 PK04_095034 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B13 mock treatment -1.385 -0.863 -0.76 -1.169 -0.636 -0.61 -1.011 -0.542565830721003 -0.535906420156427 -1.0995 -0.989 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B14 mock treatment -1.972 -1.45 -1.28 -1.816 -1.28 -1.22 -1.784 -1.315565830721 -1.29941867862361 -2.1958 -0.9997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B15 compound treatment -1.957 -1.43 -1.27 -1.493 -0.96 -0.91 -1.762 -1.293565830721 -1.27768870490268 -1.9979 -0.9894 3187269 PK04_095035 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3CCCCC3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B16 compound treatment -1.5 -0.978 -0.86 -1.253 -0.72 -0.69 -1.235 -0.766565830721003 -0.757157061678613 -1.3321 -0.9955 3186887 PK04_095036 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B17 compound treatment -1.8 -1.28 -1.13 -1.406 -0.873 -0.83 -1.297 -0.828565830721003 -0.818396078528503 -1.6047 -0.9882 3068417 PK04_095037 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B18 compound treatment -2.347 -1.82 -1.61 -1.982 -1.45 -1.38 -1.574 -1.105565830721 -1.09199620219656 -2.3587 -0.988 3067610 PK04_095038 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(C7CC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B19 compound treatment -1.709 -1.19 -1.05 -1.474 -0.941 -0.9 -1.175 -0.706565830721003 -0.69789349698517 -1.5261 -0.9869 3068639 PK04_095039 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B20 compound treatment -1.93 -1.41 -1.24 -1.458 -0.925 -0.88 -1.35 -0.881565830721003 -0.870745560674378 -1.7299 -0.9852 3068006 PK04_095040 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B21 compound treatment -1.429 -0.907 -0.8 -1.286 -0.753 -0.72 -1.25 -0.781565830721003 -0.771972952851973 -1.3226 -0.999 3068601 PK04_095041 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCc4ccccc4)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B22 compound treatment -1.4 -0.878 -0.78 -1.377 -0.844 -0.8 -1.475 -1.006565830721 -0.994211320452383 -1.4861 -0.9937 3068203 PK04_095042 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5Cl)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B23 compound treatment -1.534 -1.01 -0.89 -1.458 -0.925 -0.88 -1.55 -1.081565830721 -1.06829077631919 -1.6418 -0.996 3187355 PK04_095043 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCC(F)(F)F)c4ccccc4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 B24 compound treatment -1.047 -0.525 -0.46 -1.182 -0.649 -0.62 -1.25 -0.781565830721003 -0.771972952851973 -1.0704 -0.9799 3068156 PK04_095044 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C01 compound treatment -0.397 0.125 0.11 0.06 0.593 0.56 -1.513 -1.044565830721 -1.0317449114249 -0.2055 -0.1739 3187590 PK04_095045 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C02 compound treatment -1.34 -0.818 -0.72 -1.138 -0.605 -0.58 -1.291 -0.822565830721003 -0.812469722059159 -1.2191 -0.9906 3187180 PK04_095046 CC(C)NC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C03 compound treatment -1.74 -1.22 -1.08 -1.659 -1.13 -1.07 -1.937 -1.468565830721 -1.45054076859189 -2.0782 -0.9893 3186493 PK04_095047 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C04 compound treatment -0.933 -0.411 -0.36 -0.73 -0.197 -0.19 -0.883 -0.414565830721003 -0.409477482143749 -0.5543 -0.9582 3186427 PK04_095048 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C05 compound treatment -0.811 -0.289 -0.26 -0.453 0.08 0.08 -0.159 0.309434169278997 0.305636198490459 0.0732 0.1806 3187172 PK04_095049 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C06 compound treatment -1.691 -1.17 -1.03 -1.492 -0.959 -0.91 -0.813 -0.344565830721003 -0.340336656668066 -1.3204 -0.9296 3187080 PK04_095050 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C07 compound treatment -0.75 -0.228 -0.2 -0.685 -0.152 -0.14 -0.742 -0.273565830721003 -0.270208105114159 -0.3557 -0.9702 3186988 PK04_095051 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C08 compound treatment -1.292 -0.77 -0.68 -1.692 -1.16 -1.1 -0.62 -0.151565830721003 -0.149705523570826 -1.1167 -0.8554 3068011 PK04_095052 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C09 compound treatment -1.287 -0.765 -0.68 -1.7 -1.17 -1.11 -1.277 -0.808565830721003 -0.798641556964023 -1.4932 -0.9781 3068498 PK04_095053 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C10 compound treatment -0.753 -0.231 -0.2 -1.211 -0.678 -0.65 -1.014 -0.545565830721003 -0.538869598391099 -0.8017 -0.9263 3186550 PK04_095054 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C11 mock treatment -1.218 -0.696 -0.61 -1.566 -1.03 -0.98 -1.151 -0.682565830721003 -0.674188071107793 -1.3124 -0.9779 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C12 mock treatment -1.047 -0.525 -0.46 -0.677 -0.144 -0.14 -0.855 -0.386565830721003 -0.381821151953476 -0.5674 -0.9208 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C13 compound treatment -0.658 -0.136 -0.12 -1.505 -0.972 -0.93 -1.44 -0.971565830721003 -0.959640907714542 -1.1578 -0.8648 3187361 PK04_095055 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C14 compound treatment -1.495 -0.973 -0.86 -1.372 -0.839 -0.8 -1.412 -0.943565830721003 -0.931984577524268 -1.4959 -0.998 3068504 PK04_095056 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C15 mock treatment -1.449 -0.927 -0.82 -1.262 -0.729 -0.69 -1.513 -1.044565830721 -1.0317449114249 -1.4696 -0.9868 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C16 mock treatment -1.586 -1.06 -0.94 -1.211 -0.678 -0.65 -1.509 -1.040565830721 -1.027794007112 -1.5092 -0.9829 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C17 compound treatment -1.2 -0.678 -0.6 -0.817 -0.284 -0.27 -0.583 -0.114565830721003 -0.113159658676536 -0.5674 -0.8507 3067969 PK04_095057 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCCN(C)C)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C18 compound treatment -0.811 -0.289 -0.26 -0.925 -0.392 -0.37 -0.77 -0.301565830721003 -0.297864435304432 -0.5348 -0.9877 3187359 PK04_095058 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C19 compound treatment -0.351 0.171 0.15 -0.366 0.167 0.16 -0.516 -0.047565830721003 -0.0469820114355251 0.1523 0.6775 3187087 PK04_095059 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C20 compound treatment -0.794 -0.272 -0.24 -1.423 -0.89 -0.85 -0.129 0.339434169278997 0.33526798083718 -0.4345 -0.4609 3187443 PK04_095060 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C21 compound treatment -1.308 -0.786 -0.69 -1.625 -1.09 -1.04 -1.149 -0.680565830721003 -0.672212618951345 -1.3897 -0.9787 3067571 PK04_095061 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C22 compound treatment -1.539 -1.02 -0.9 -1.552 -1.02 -0.97 -1.432 -0.963565830721003 -0.951739099088749 -1.6288 -0.9995 3187181 PK04_095062 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C23 compound treatment -1.43 -0.908 -0.8 -1.687 -1.15 -1.1 -1.324 -0.855565830721003 -0.845064682640553 -1.5858 -0.9899 3187509 PK04_095063 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)c4ccc(cc4)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 C24 compound treatment -1.047 -0.525 -0.46 -1.0 -0.467 -0.44 -1.241 -0.772565830721003 -0.763083418147957 -0.9651 -0.9674 3068474 PK04_095064 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D01 compound treatment -0.224 0.298 0.26 -0.496 0.037 0.04 0.715 1.183434169279 1.16890879085827 0.8476 0.707 3068587 PK04_095065 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(CC3(CC4CC5CC(C4)C3)C5)C(=O)c6ccccc26)c7ccc(CO)cc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D02 compound treatment -0.294 0.228 0.2 -1.679 -1.15 -1.09 -1.221 -0.752565830721003 -0.743328896583476 -0.9428 -0.7057 3068318 PK04_095066 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D03 compound treatment -1.45 -0.928 -0.82 -2.06 -1.53 -1.45 -1.583 -1.114565830721 -1.10088573690058 -1.9489 -0.9744 3187363 PK04_095067 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D04 compound treatment -0.576 -0.0536 -0.05 -1.347 -0.814 -0.78 -0.396 0.072434169278997 0.0715451179513602 -0.4337 -0.5559 3186486 PK04_095068 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CCN7CCOCC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D05 compound treatment -0.714 -0.192 -0.17 -1.915 -1.38 -1.32 -1.281 -0.812565830721003 -0.802592461276919 -1.3212 -0.8518 3187179 PK04_095069 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(=O)c3ccccc23)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D06 compound treatment -1.176 -0.654 -0.58 -1.644 -1.11 -1.06 -0.368 0.100434169278997 0.0992014481416335 -0.8874 -0.7334 3187522 PK04_095070 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D07 compound treatment -0.79 -0.268 -0.24 -1.758 -1.22 -1.17 -0.302 0.166434169278997 0.16439136930442 -0.7154 -0.5952 3068515 PK04_095071 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D08 compound treatment -0.777 -0.255 -0.23 -1.36 -0.827 -0.79 -1.412 -0.943565830721003 -0.931984577524268 -1.1229 -0.9049 3186872 PK04_095072 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D09 compound treatment -0.409 0.113 0.1 -1.282 -0.749 -0.71 -1.079 -0.610565830721003 -0.603071793475662 -0.7022 -0.7474 3068609 PK04_095073 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D10 compound treatment -1.014 -0.492 -0.43 -1.929 -1.4 -1.33 -1.426 -0.957565830721003 -0.945812742619405 -1.5648 -0.9266 3186795 PK04_095074 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D11 mock treatment -0.663 -0.141 -0.12 -0.658 -0.125 -0.12 -0.8 -0.331565830721003 -0.327496217651154 -0.3295 -0.8908 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D12 mock treatment -0.912 -0.39 -0.34 -1.441 -0.908 -0.86 -0.833 -0.364565830721003 -0.360091178232547 -0.9061 -0.9077 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D13 compound treatment -1.0 -0.478 -0.42 -1.0 -0.467 -0.44 -1.216 -0.747565830721003 -0.738390266192356 -0.9269 -0.9656 3067964 PK04_095075 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D14 compound treatment -1.23 -0.708 -0.63 -1.066 -0.533 -0.51 -1.105 -0.636565830721003 -0.628752671509487 -1.0173 -0.9954 3068230 PK04_095076 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D15 mock treatment -1.267 -0.745 -0.66 -1.094 -0.561 -0.53 -1.086 -0.617565830721003 -0.60998587602323 -1.0408 -0.9964 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D16 mock treatment -1.066 -0.544 -0.48 -1.516 -0.983 -0.94 -0.215 0.253434169278997 0.250323538109912 -0.6736 -0.6226 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D17 compound treatment -0.617 -0.0946 -0.08 -1.889 -1.36 -1.29 -0.628 -0.159565830721003 -0.157607332196618 -0.8851 -0.6787 3068595 PK04_095077 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCc3ccccc3)c4ccccc4C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D18 compound treatment -1.096 -0.574 -0.51 -2.059 -1.53 -1.45 -1.072 -0.603565830721003 -0.596157710928094 -1.4762 -0.8942 3186982 PK04_095078 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D19 compound treatment -0.591 -0.0686 -0.06 -1.172 -0.639 -0.61 -1.406 -0.937565830721003 -0.926058221054924 -0.9211 -0.8299 3187440 PK04_095079 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D20 compound treatment -1.089 -0.567 -0.5 -1.092 -0.559 -0.53 -0.177 0.291434169278997 0.287857129082426 -0.4304 -0.5478 3068415 PK04_095080 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D21 compound treatment -1.163 -0.641 -0.57 -1.494 -0.961 -0.92 -1.343 -0.874565830721003 -0.863831478126809 -1.3542 -0.9812 3068596 PK04_095081 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCC(F)(F)F)c3ccccc3C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D22 compound treatment -1.337 -0.815 -0.72 -1.75 -1.22 -1.16 2.149 2.617434169279 1.67646556358109 -0.1172 -0.0542 3186713 PK04_095082 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D23 compound treatment -0.742 -0.22 -0.19 -1.5 -0.967 -0.92 -1.357 -0.888565830721003 -0.877659643221946 -1.1506 -0.894 3187357 PK04_095083 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 D24 compound treatment -0.985 -0.463 -0.41 -1.986 -1.45 -1.38 -1.292 -0.823565830721003 -0.813457448137383 -1.5049 -0.9083 3068270 PK04_095084 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCCN6CCOCC6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E01 mock treatment -1.577 -1.05 -0.93 -1.045 -0.512 -0.49 -1.316 -0.847565830721003 -0.83716287401476 -1.3032 -0.9692 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E02 mock treatment -1.018 -0.496 -0.44 -1.338 -0.805 -0.77 -1.053 -0.584565830721003 -0.577390915441837 -1.029 -0.9752 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E03 compound treatment -1.984 -1.46 -1.29 -1.537 -1.0 -0.96 -1.554 -1.085565830721 -1.07224168063208 -1.9173 -0.9922 3068636 PK04_095085 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E04 compound treatment -2.246 -1.72 -1.52 -2.109 -1.58 -1.5 -1.486 -1.017565830721 -1.00507630731285 -2.3268 -0.9845 3186556 PK04_095086 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E05 compound treatment -1.212 -0.69 -0.61 -2.0 -1.47 -1.4 -1.755 -1.286565830721 -1.27077462235512 -1.8925 -0.9535 3187587 PK04_095087 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E06 compound treatment -1.561 -1.04 -0.92 -0.891 -0.358 -0.34 -1.417 -0.948565830721003 -0.936923207915389 -1.2679 -0.9354 3186428 PK04_095088 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E07 compound treatment -1.5 -0.978 -0.86 -1.552 -1.02 -0.97 -1.239 -0.770565830721003 -0.761107965991509 -1.4988 -0.9951 3187266 PK04_095089 CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E08 compound treatment -1.328 -0.806 -0.71 -1.212 -0.679 -0.65 -1.269 -0.800565830721003 -0.79073974833823 -1.2411 -0.9966 3187351 PK04_095090 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E09 mock treatment -1.192 -0.67 -0.59 -0.98 -0.447 -0.43 -0.717 -0.248565830721003 -0.245514953158558 -0.7293 -0.9479 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E10 mock treatment -1.222 -0.7 -0.62 -1.255 -0.722 -0.69 -1.383 -0.914565830721003 -0.903340521255771 -1.2757 -0.9867 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E11 compound treatment -1.882 -1.36 -1.2 -2.216 -1.68 -1.6 -1.981 -1.512565830721 -1.49400071603375 -2.4822 -0.9931 3068004 PK04_095091 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E12 compound treatment -1.154 -0.632 -0.56 -0.986 -0.453 -0.43 -1.05 -0.581565830721003 -0.574427737207165 -0.9031 -0.9926 3186500 PK04_095092 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E13 compound treatment -1.892 -1.37 -1.21 -1.095 -0.562 -0.54 -1.57 -1.101565830721 -1.08804529788367 -1.6363 -0.9549 3187346 PK04_095093 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCN3CCOCC3)c4ccccc4C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E14 compound treatment -1.398 -0.876 -0.77 -1.319 -0.786 -0.75 -1.068 -0.599565830721003 -0.592206806615197 -1.2211 -0.9936 3187262 PK04_095094 CC(C)N1[C@H]([C@H](C(=O)NCCN2CCOCC2)c3ccccc3C1=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E15 compound treatment -0.609 -0.0866 -0.08 -0.738 -0.205 -0.2 -0.696 -0.227565830721003 -0.224772705515853 -0.2867 -0.9326 3067574 PK04_095095 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E16 compound treatment -1.102 -0.58 -0.51 -0.982 -0.449 -0.43 -0.865 -0.396565830721003 -0.391698412735716 -0.7689 -0.9936 3187350 PK04_095096 COCCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E17 mock treatment -0.806 -0.284 -0.25 -1.673 -1.14 -1.09 -1.158 -0.689565830721003 -0.681102153655361 -1.165 -0.8919 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E18 mock treatment -2.111 -1.59 -1.4 -1.098 -0.565 -0.54 -1.532 -1.063565830721 -1.05051170691115 -1.7281 -0.942 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E19 compound treatment -1.586 -1.06 -0.94 -1.649 -1.12 -1.06 -1.159 -0.690565830721003 -0.682089879733585 -1.5505 -0.9846 3068657 PK04_095097 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E20 compound treatment -0.121 0.401 0.35 -0.741 -0.208 -0.2 -0.788 -0.319565830721003 -0.315643504712465 -0.0917 -0.1782 3068140 PK04_095098 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E21 compound treatment -2.153 -1.63 -1.44 -1.636 -1.1 -1.05 -1.308 -0.839565830721003 -0.829261065388968 -1.9177 -0.9748 3186562 PK04_095099 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E22 compound treatment -1.687 -1.16 -1.03 -1.559 -1.03 -0.98 -1.875 -1.406565830721 -1.389301751742 -1.9608 -0.9872 3187591 PK04_095100 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E23 compound treatment -0.759 -0.237 -0.21 -1.549 -1.02 -0.97 -1.127 -0.658565830721003 -0.650482645230416 -1.0551 -0.8906 3187263 PK04_095101 CC(C)N1[C@H]([C@H](C(=O)NCc2ccccc2)c3ccccc3C1=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 E24 compound treatment -1.377 -0.855 -0.76 -1.056 -0.523 -0.5 -1.095 -0.626565830721003 -0.618875410727247 -1.0811 -0.9861 3068517 PK04_095102 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F01 mock treatment -1.4 -0.878 -0.78 -0.934 -0.401 -0.38 -0.945 -0.476565830721003 -0.47071649899364 -0.9402 -0.955 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F02 mock treatment -1.694 -1.17 -1.04 -1.419 -0.886 -0.84 -1.409 -0.940565830721003 -0.929021399289596 -1.6217 -0.9965 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F03 compound treatment -2.198 -1.68 -1.48 -1.685 -1.15 -1.1 -1.878 -1.409565830721 -1.39226492997667 -2.2927 -0.9924 3187079 PK04_095103 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F04 compound treatment -0.833 -0.311 -0.27 -0.937 -0.404 -0.38 -0.722 -0.253565830721003 -0.250453583549678 -0.5253 -0.9819 3068331 PK04_095104 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F05 compound treatment -1.727 -1.2 -1.06 -1.261 -0.728 -0.69 -1.342 -0.873565830721003 -0.862843752048586 -1.5134 -0.9852 3068563 PK04_095105 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F06 compound treatment -1.981 -1.46 -1.29 -1.852 -1.32 -1.26 -1.429 -0.960565830721003 -0.948775920854077 -2.0177 -0.9914 3186879 PK04_095106 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCCN6CCOCC6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F07 compound treatment -2.059 -1.54 -1.36 -1.796 -1.26 -1.2 -0.697 -0.228565830721003 -0.225760431594077 -1.6093 -0.88 3187523 PK04_095107 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F08 compound treatment -1.381 -0.859 -0.76 -1.262 -0.729 -0.69 -1.133 -0.664565830721003 -0.65640900169976 -1.2181 -0.9982 3186563 PK04_095108 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F09 mock treatment -1.088 -0.566 -0.5 -0.937 -0.404 -0.38 -0.895 -0.426565830721003 -0.421330195082438 -0.7541 -0.994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F10 mock treatment -1.22 -0.698 -0.62 -1.138 -0.605 -0.58 -1.25 -0.781565830721003 -0.771972952851973 -1.1345 -0.9918 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F11 compound treatment -1.0 -0.478 -0.42 -1.068 -0.535 -0.51 -1.031 -0.562565830721003 -0.555660941720908 -0.8588 -0.9938 3187257 PK04_095109 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F12 compound treatment -1.508 -0.986 -0.87 -1.712 -1.18 -1.12 -1.676 -1.207565830721 -1.19274426217542 -1.8401 -0.9917 3068241 PK04_095110 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F13 compound treatment -1.338 -0.816 -0.72 -0.798 -0.265 -0.25 -0.892 -0.423565830721003 -0.418367016847766 -0.8036 -0.9226 3068554 PK04_095111 COCCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F14 compound treatment -2.12 -1.6 -1.41 -1.89 -1.36 -1.29 -1.622 -1.153565830721 -1.13940705395132 -2.2196 -0.9962 3068362 PK04_095112 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)Sc4ccc(C)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F15 compound treatment -1.603 -1.08 -0.96 -1.261 -0.728 -0.69 -0.976 -0.507565830721003 -0.501336007418585 -1.2414 -0.9679 3186423 PK04_095113 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F16 compound treatment -1.606 -1.08 -0.96 -1.277 -0.744 -0.71 -1.493 -1.024565830721 -1.01199038986042 -1.5465 -0.9892 3068012 PK04_095114 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F17 mock treatment -1.0 -0.478 -0.42 -0.545 -0.012 -0.01 -0.857 -0.388565830721003 -0.383796604109924 -0.4719 -0.8269 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F18 mock treatment -1.736 -1.21 -1.07 -1.667 -1.13 -1.08 -1.211 -0.742565830721003 -0.733451635801236 -1.6666 -0.9862 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F19 compound treatment -0.857 -0.335 -0.3 -0.393 0.14 0.13 -0.041 0.427434169278997 0.422187875720896 0.15 0.2817 3067568 PK04_095115 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F20 compound treatment -1.823 -1.3 -1.15 -1.397 -0.864 -0.82 -1.425 -0.956565830721003 -0.944825016541181 -1.6845 -0.9905 3068266 PK04_095116 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F21 compound treatment -1.242 -0.72 -0.64 -1.182 -0.649 -0.62 -1.246 -0.777565830721003 -0.768022048539077 -1.1676 -0.9951 3186419 PK04_095117 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F22 compound treatment -2.26 -1.74 -1.54 -1.845 -1.31 -1.25 -1.794 -1.325565830721 -1.30929593940585 -2.3644 -0.9959 3187524 PK04_095118 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F23 compound treatment -1.29 -0.768 -0.68 -1.38 -0.847 -0.81 -1.425 -0.956565830721003 -0.944825016541181 -1.4031 -0.9911 3068017 PK04_095119 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)O)c4ccccc4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 F24 compound treatment -1.328 -0.806 -0.71 -1.413 -0.88 -0.84 -1.37 -0.901565830721003 -0.890500082238859 -1.4093 -0.9958 3186554 PK04_095120 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G01 compound treatment -0.807 -0.285 -0.25 -1.324 -0.791 -0.75 -1.25 -0.781565830721003 -0.771972952851973 -1.026 -0.9262 3186418 PK04_095121 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G02 compound treatment -1.043 -0.521 -0.46 -0.99 -0.457 -0.44 -1.046 -0.577565830721003 -0.570476832894268 -0.8464 -0.9929 3067966 PK04_095122 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCN3CCOCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G03 mock treatment -1.312 -0.79 -0.7 -1.295 -0.762 -0.73 -1.467 -0.998565830721003 -0.986309511826591 -1.3915 -0.9872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G04 mock treatment -1.439 -0.917 -0.81 -1.178 -0.645 -0.61 -1.472 -1.003565830721 -0.991248142217711 -1.3949 -0.9822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G05 compound treatment -1.17 -0.648 -0.57 -0.919 -0.386 -0.37 -0.87 -0.401565830721003 -0.396637043126837 -0.7718 -0.98 3068153 PK04_095123 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G06 compound treatment -1.25 -0.728 -0.64 -0.798 -0.265 -0.25 0.106 0.574434169278997 0.56738360921983 -0.1895 -0.212 3187356 PK04_095124 COCCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G07 compound treatment -0.667 -0.145 -0.13 -0.722 -0.189 -0.18 -0.726 -0.257565830721003 -0.254404487862574 -0.3246 -0.9637 3187173 PK04_095125 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G08 compound treatment -0.66 -0.138 -0.12 -1.623 -1.09 -1.04 -0.159 0.309434169278997 0.305636198490459 -0.4932 -0.4528 3068514 PK04_095126 CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G09 compound treatment -0.426 0.0964 0.09 -1.57 -1.04 -0.99 -1.121 -0.652565830721003 -0.644556288761072 -0.8932 -0.7553 3187442 PK04_095127 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G10 compound treatment -1.25 -0.728 -0.64 -1.55 -1.02 -0.97 -1.208 -0.739565830721003 -0.730488457566563 -1.3525 -0.9848 3068420 PK04_095128 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G11 compound treatment -1.309 -0.787 -0.7 -1.029 -0.496 -0.47 -1.492 -1.023565830721 -1.01100266378219 -1.258 -0.9567 3187434 PK04_095129 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G12 compound treatment -0.693 -0.171 -0.15 -0.967 -0.434 -0.41 -1.384 -0.915565830721003 -0.904328247333995 -0.8479 -0.843 3186416 PK04_095130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G13 compound treatment -1.0 -0.478 -0.42 -1.404 -0.871 -0.83 -1.28 -0.811565830721003 -0.801604735198695 -1.1856 -0.9651 3068507 PK04_095131 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G14 compound treatment -1.614 -1.09 -0.97 -1.192 -0.659 -0.63 -1.244 -0.775565830721003 -0.766046596382629 -1.3619 -0.9849 3187162 PK04_095132 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G15 compound treatment -1.662 -1.14 -1.01 -1.481 -0.948 -0.9 -1.48 -1.011565830721 -0.999149950843504 -1.6799 -0.9988 3068602 PK04_095133 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G16 compound treatment -1.373 -0.851 -0.75 -1.303 -0.77 -0.73 -1.561 -1.092565830721 -1.07915576317965 -1.4807 -0.9832 3187426 PK04_095134 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G17 compound treatment -1.245 -0.723 -0.64 -0.829 -0.296 -0.28 -0.746 -0.277565830721003 -0.274159009427055 -0.6899 -0.9197 3067567 PK04_095135 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G18 compound treatment -1.65 -1.13 -1.0 -1.616 -1.08 -1.03 -1.354 -0.885565830721003 -0.874696464987274 -1.6762 -0.9976 3187525 PK04_095136 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G19 mock treatment -0.534 -0.0116 -0.01 -0.576 -0.043 -0.04 -0.479 -0.010565830721003 -0.0104361465412354 -0.0355 -0.8182 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G20 mock treatment -0.07 0.452 0.4 -1.109 -0.576 -0.55 -0.402 0.066434169278997 0.065618761482016 -0.048 -0.0703 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G21 compound treatment -0.856 -0.334 -0.29 -2.037 -1.5 -1.43 -1.472 -1.003565830721 -0.991248142217711 -1.5698 -0.8884 3187167 PK04_095137 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G22 compound treatment -0.897 -0.375 -0.33 -0.877 -0.344 -0.33 -0.701 -0.232565830721003 -0.229711335906973 -0.513 -0.9876 3187174 PK04_095138 COc1ccccc1CN2[C@H]([C@H](C(=O)NC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G23 compound treatment -1.07 -0.548 -0.48 -1.607 -1.07 -1.02 -1.475 -1.006565830721 -0.994211320452383 -1.4442 -0.9586 3068478 PK04_095139 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 G24 compound treatment -0.642 -0.12 -0.11 -1.049 -0.516 -0.49 -1.177 -0.708565830721003 -0.699868949141618 -0.7489 -0.869 3068471 PK04_095140 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H01 compound treatment -1.023 -0.501 -0.44 -1.007 -0.474 -0.45 -0.661 -0.192565830721003 -0.190202292778011 -0.626 -0.9482 3068149 PK04_095141 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H02 compound treatment -1.276 -0.754 -0.67 -1.693 -1.16 -1.11 -1.311 -0.842565830721003 -0.83222424362364 -1.5031 -0.979 3068236 PK04_095142 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H03 mock treatment -0.558 -0.0356 -0.03 -1.085 -0.552 -0.53 -1.23 -0.761565830721003 -0.752218431287492 -0.756 -0.8233 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H04 mock treatment -1.242 -0.72 -0.64 -1.156 -0.623 -0.59 -1.213 -0.744565830721003 -0.735427087957684 -1.1345 -0.9959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H05 compound treatment -1.627 -1.1 -0.98 -2.105 -1.57 -1.5 -0.895 -0.426565830721003 -0.421330195082438 -1.6717 -0.9101 3187083 PK04_095143 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H06 compound treatment -1.754 -1.23 -1.09 -2.343 -1.81 -1.72 -1.521 -1.052565830721 -1.03964672005069 -2.2244 -0.9718 3068265 PK04_095144 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H07 compound treatment -1.209 -0.687 -0.61 -1.661 -1.13 -1.07 -0.574 -0.105565830721003 -0.10427012397252 -1.031 -0.8325 3068458 PK04_095145 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H08 compound treatment -0.678 -0.156 -0.14 -1.567 -1.03 -0.98 -0.918 -0.449565830721003 -0.444047894881591 -0.9045 -0.8304 3068401 PK04_095146 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H09 compound treatment -0.628 -0.106 -0.09 -0.952 -0.419 -0.4 -0.298 0.170434169278997 0.168342273617317 -0.1871 -0.4223 3187071 PK04_095147 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H10 compound treatment -0.816 -0.294 -0.26 -1.635 -1.1 -1.05 -1.027 -0.558565830721003 -0.551710037408012 -1.0745 -0.8851 3068139 PK04_095148 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H11 compound treatment -0.963 -0.441 -0.39 -1.29 -0.757 -0.72 -1.333 -0.864565830721003 -0.853954217344569 -1.1342 -0.9583 3187589 PK04_095149 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H12 compound treatment -0.412 0.11 0.1 -1.211 -0.678 -0.65 -1.022 -0.553565830721003 -0.546771407016891 -0.6322 -0.7421 3186627 PK04_095150 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H13 compound treatment -0.611 -0.0886 -0.08 -0.843 -0.31 -0.3 0.177 0.645434169278997 0.637512160773738 0.1524 0.2156 3187261 PK04_095151 CC(C)N1[C@H]([C@H](C(=O)NC2CC2)c3ccccc3C1=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H14 compound treatment -1.253 -0.731 -0.65 -1.558 -1.02 -0.98 -1.191 -0.722565830721003 -0.713697114236755 -1.3487 -0.9837 3186980 PK04_095152 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H15 compound treatment -1.655 -1.13 -1.0 -1.363 -0.83 -0.79 -1.779 -1.310565830721 -1.29448004823249 -1.7819 -0.9804 3187166 PK04_095153 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H16 compound treatment -1.238 -0.716 -0.63 -1.439 -0.906 -0.86 -1.258 -0.789565830721003 -0.779874761477766 -1.3138 -0.9922 3186978 PK04_095154 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H17 compound treatment -0.988 -0.466 -0.41 -0.885 -0.352 -0.34 -0.526 -0.057565830721003 -0.0568592722177655 -0.464 -0.8691 3187349 PK04_095155 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCCN(C)C)c3ccccc3C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H18 compound treatment -1.459 -0.937 -0.83 -1.262 -0.729 -0.69 -1.197 -0.728565830721003 -0.719623470706099 -1.2945 -0.997 3068412 PK04_095156 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H19 mock treatment -0.792 -0.27 -0.24 -0.891 -0.358 -0.34 0.248 0.716434169278997 0.707640712327645 0.0741 0.0903 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H20 mock treatment -0.993 -0.471 -0.42 -1.106 -0.573 -0.55 -0.985 -0.516565830721003 -0.510225542122602 -0.8499 -0.9938 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H21 compound treatment -0.616 -0.0936 -0.08 -0.982 -0.449 -0.43 -0.822 -0.353565830721003 -0.349226191372083 -0.4963 -0.8889 3187512 PK04_095157 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H22 compound treatment -1.255 -0.733 -0.65 -1.985 -1.45 -1.38 -0.883 -0.414565830721003 -0.409477482143749 -1.4089 -0.891 3186806 PK04_095158 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H23 compound treatment -0.811 -0.289 -0.26 -0.929 -0.396 -0.38 0.041 0.509434169278997 0.503181414135268 -0.0746 -0.1099 3068599 PK04_095159 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NC4CC4)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 H24 compound treatment -0.402 0.12 0.11 -1.386 -0.853 -0.81 -1.189 -0.720565830721003 -0.711721662080307 -0.8186 -0.7541 3187586 PK04_095160 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I01 compound treatment -2.547 -2.02 -1.79 -1.952 -1.42 -1.35 -2.167 -1.698565830721 -1.67771776658342 -2.7825 -0.9934 3187165 PK04_095161 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I02 compound treatment -1.585 -1.06 -0.94 -1.315 -0.782 -0.74 -1.194 -0.725565830721003 -0.716660292471427 -1.3862 -0.9924 3068418 PK04_095162 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I03 compound treatment -1.732 -1.21 -1.07 -1.698 -1.16 -1.11 -1.207 -0.738565830721003 -0.729500731488339 -1.6793 -0.9849 3187178 PK04_095163 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I04 compound treatment -1.8 -1.28 -1.13 -1.625 -1.09 -1.04 -1.425 -0.956565830721003 -0.944825016541181 -1.7982 -0.9974 3068019 PK04_095164 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I05 mock treatment -0.095 0.427 0.38 -1.732 -1.2 -1.14 -1.193 -0.724565830721003 -0.715672566393203 -0.8545 -0.6104 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I06 mock treatment -0.543 -0.0206 -0.02 -0.98 -0.447 -0.43 -0.88 -0.411565830721003 -0.406514303909077 -0.491 -0.8337 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I07 compound treatment -0.779 -0.257 -0.23 -1.411 -0.878 -0.84 -1.256 -0.787565830721003 -0.777899309321318 -1.063 -0.9128 3068542 PK04_095165 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3Cc4ccccc4C3)C(=O)c5ccccc25)c6ccc(CO)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I08 compound treatment -1.175 -0.653 -0.58 -1.293 -0.76 -0.72 -1.094 -0.625565830721003 -0.617887684649023 -1.1078 -0.9953 3187345 PK04_095166 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I09 compound treatment -1.141 -0.619 -0.55 -1.0 -0.467 -0.44 -0.893 -0.424565830721003 -0.41935474292599 -0.8147 -0.9932 3067971 PK04_095167 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I10 compound treatment -1.381 -0.859 -0.76 -1.525 -0.992 -0.94 -1.596 -1.127565830721 -1.11372617591749 -1.6268 -0.9883 3068641 PK04_095168 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I11 compound treatment -0.895 -0.373 -0.33 -1.731 -1.2 -1.14 -1.327 -0.858565830721003 -0.848027860875225 -1.3387 -0.9172 3187358 PK04_095169 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I12 compound treatment -1.66 -1.14 -1.01 -1.466 -0.933 -0.89 -0.889 -0.420565830721003 -0.415403838613093 -1.3336 -0.9492 3068653 PK04_095170 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I13 compound treatment -1.403 -0.881 -0.78 -0.375 0.158 0.15 -0.759 -0.290565830721003 -0.286999448443968 -0.5282 -0.6264 3067962 PK04_095171 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I14 compound treatment -1.959 -1.44 -1.27 -1.707 -1.17 -1.12 -1.394 -0.925565830721003 -0.914205508116236 -1.9068 -0.9913 3068606 PK04_095172 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I15 compound treatment -1.5 -0.978 -0.86 -1.745 -1.21 -1.15 -1.175 -0.706565830721003 -0.69789349698517 -1.5685 -0.979 3068476 PK04_095173 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I16 compound treatment -0.831 -0.309 -0.27 -1.284 -0.751 -0.72 -1.083 -0.614565830721003 -0.607022697788558 -0.921 -0.9426 3186417 PK04_095174 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I17 compound treatment -1.276 -0.754 -0.67 -1.091 -0.558 -0.53 -1.204 -0.735565830721003 -0.726537553253667 -1.111 -0.992 3187268 PK04_095175 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I18 compound treatment -0.434 0.0884 0.08 -0.832 -0.299 -0.28 -1.179 -0.710565830721003 -0.701844401298066 -0.5245 -0.6888 3187264 PK04_095176 CC(C)N1[C@H]([C@H](C(=O)NCC(F)(F)F)c2ccccc2C1=O)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I19 compound treatment -1.783 -1.26 -1.11 -1.649 -1.12 -1.06 -1.262 -0.793565830721003 -0.783825665790662 -1.7098 -0.9893 3186499 PK04_095177 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I20 compound treatment -0.162 0.36 0.32 -0.773 -0.24 -0.23 -0.5 -0.031565830721003 -0.0311783941839403 0.034 0.0864 3068422 PK04_095178 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I21 mock treatment -1.846 -1.32 -1.17 -1.431 -0.898 -0.86 -0.868 -0.399565830721003 -0.394661590970389 -1.3973 -0.9302 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I22 mock treatment -1.782 -1.26 -1.11 -1.309 -0.776 -0.74 -1.489 -1.020565830721 -1.00803948554752 -1.6517 -0.9866 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I23 compound treatment -1.932 -1.41 -1.25 -1.737 -1.2 -1.15 -1.544 -1.075565830721 -1.06236441984984 -1.995 -0.9979 3068550 PK04_095179 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(C)C)C(=O)c3ccccc23)c4ccc(CO)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 I24 compound treatment -1.812 -1.29 -1.14 -1.375 -0.842 -0.8 -1.371 -0.902565830721003 -0.891487808317083 -1.636 -0.9887 3187258 PK04_095180 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4Cc5ccccc5C4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J01 compound treatment -1.219 -0.697 -0.62 -1.489 -0.956 -0.91 -1.391 -0.922565830721003 -0.911242329881564 -1.4074 -0.9857 3187273 PK04_095181 CC(C)CNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J02 compound treatment -1.45 -0.928 -0.82 -1.413 -0.88 -0.84 -1.344 -0.875565830721003 -0.864819204205034 -1.4567 -0.9998 3186630 PK04_095182 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J03 compound treatment -2.284 -1.76 -1.56 -1.493 -0.96 -0.91 -1.86 -1.391565830721 -1.37448586056864 -2.2207 -0.9785 3187353 PK04_095183 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(=O)c3ccccc32)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J04 compound treatment -1.516 -0.994 -0.88 -1.224 -0.691 -0.66 -1.493 -1.024565830721 -1.01199038986042 -1.4715 -0.9856 3187588 PK04_095184 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)O)c3ccccc3C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J05 mock treatment -0.716 -0.194 -0.17 -0.443 0.09 0.09 -0.882 -0.413565830721003 -0.408489756065525 -0.2851 -0.632 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J06 mock treatment -1.796 -1.27 -1.13 -1.262 -0.729 -0.69 -1.765 -1.296565830721 -1.28065188313736 -1.7904 -0.9724 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J07 compound treatment -1.471 -0.949 -0.84 -1.317 -0.784 -0.75 -1.302 -0.833565830721003 -0.823334708919624 -1.3907 -0.9988 3186420 PK04_095185 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J08 compound treatment -2.148 -1.63 -1.44 -1.764 -1.23 -1.17 -1.385 -0.916565830721003 -0.905315973412219 -2.0295 -0.9833 3186722 PK04_095186 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J09 compound treatment -1.0 -0.478 -0.42 -1.206 -0.673 -0.64 -0.982 -0.513565830721003 -0.50726236388793 -0.9068 -0.9855 3186426 PK04_095187 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J10 compound treatment -1.138 -0.616 -0.54 -1.078 -0.545 -0.52 -0.833 -0.364565830721003 -0.360091178232547 -0.8218 -0.9856 3186639 PK04_095188 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J11 compound treatment -1.212 -0.69 -0.61 -1.162 -0.629 -0.6 -0.887 -0.418565830721003 -0.413428386456645 -0.9366 -0.9864 3187270 PK04_095189 CC(C)NC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J12 compound treatment -1.189 -0.667 -0.59 -1.39 -0.857 -0.82 -1.464 -0.995565830721003 -0.983346333591919 -1.3793 -0.9801 3067980 PK04_095190 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J13 compound treatment -0.424 0.0984 0.09 -0.171 0.362 0.34 -0.494 -0.025565830721003 -0.0252520377145961 0.2348 0.6584 3186421 PK04_095191 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J14 compound treatment -1.829 -1.31 -1.16 -1.81 -1.28 -1.22 -1.683 -1.214565830721 -1.19965834472298 -2.0619 -0.9998 3068150 PK04_095192 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J15 compound treatment -1.304 -0.782 -0.69 -0.688 -0.155 -0.15 -1.181 -0.712565830721003 -0.703819853454514 -0.8905 -0.8929 3068598 PK04_095193 CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J16 compound treatment -1.38 -0.858 -0.76 -1.419 -0.886 -0.84 -1.692 -1.223565830721 -1.208547879427 -1.6228 -0.979 3068324 PK04_095194 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J17 compound treatment -0.573 -0.0506 -0.04 -0.414 0.119 0.11 -0.529 -0.060565830721003 -0.0598224504524376 0.0051 0.0378 3067973 PK04_095195 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J18 compound treatment -1.75 -1.23 -1.09 -1.216 -0.683 -0.65 -1.667 -1.198565830721 -1.1838547274714 -1.6857 -0.9728 3068414 PK04_095196 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J19 compound treatment -1.034 -0.512 -0.45 -0.689 -0.156 -0.15 -1.118 -0.649565830721003 -0.6415931105264 -0.7173 -0.8979 3187085 PK04_095197 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J20 compound treatment -1.803 -1.28 -1.13 -1.367 -0.834 -0.79 -1.184 -0.715565830721003 -0.706783031689186 -1.5204 -0.9789 3186884 PK04_095198 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J21 mock treatment -1.067 -0.545 -0.48 0.234 0.767 0.73 -1.073 -0.604565830721003 -0.597145437006318 -0.2008 -0.1896 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J22 mock treatment -1.617 -1.09 -0.97 -1.556 -1.02 -0.97 -1.409 -0.940565830721003 -0.929021399289596 -1.6577 -0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J23 compound treatment -1.208 -0.686 -0.61 -1.344 -0.811 -0.77 -0.956 -0.487565830721003 -0.481581485854104 -1.074 -0.982 3187082 PK04_095199 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 J24 compound treatment -1.226 -0.704 -0.62 -1.303 -0.77 -0.73 -1.333 -0.864565830721003 -0.853954217344569 -1.2756 -0.9918 3068227 PK04_095200 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K01 compound treatment -0.935 -0.413 -0.36 -1.4 -0.867 -0.83 -1.427 -0.958565830721003 -0.946800468697629 -1.2341 -0.9433 3187514 PK04_095201 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K02 compound treatment -1.425 -0.903 -0.8 -1.384 -0.851 -0.81 -1.253 -0.784565830721003 -0.774936131086645 -1.3761 -0.9998 3187168 PK04_095202 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccc(OC(F)(F)F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K03 compound treatment -1.167 -0.645 -0.57 -0.987 -0.454 -0.43 -1.056 -0.587565830721003 -0.580354093676509 -0.9138 -0.9919 3068143 PK04_095203 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC5CC5)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K04 compound treatment -0.213 0.309 0.27 -1.247 -0.714 -0.68 -1.741 -1.272565830721 -1.25694645725998 -0.9604 -0.66 3187275 PK04_095204 CN(C)CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K05 compound treatment -0.064 0.458 0.41 0.0 0.533 0.51 -0.034 0.434434169278997 0.429101958268464 0.7749 0.9952 3187271 PK04_095205 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K06 compound treatment -0.455 0.0674 0.06 -0.791 -0.258 -0.25 -0.241 0.227434169278997 0.224642660076087 0.0222 0.0658 3186561 PK04_095206 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K07 mock treatment -0.984 -0.462 -0.41 -1.171 -0.638 -0.61 0.5 0.968434169278997 0.956547684040104 -0.0342 -0.0284 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K08 mock treatment -0.532 -0.00955 -0.01 -1.032 -0.499 -0.48 -0.451 0.017434169278997 0.0172201836490378 -0.2694 -0.5662 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K09 compound treatment 1.253 1.78 1.4 -1.507 -0.974 -0.93 -1.167 -0.698565830721003 -0.689991688359378 -0.1255 -0.0691 3068519 PK04_095207 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K10 compound treatment -1.459 -0.937 -0.83 -1.621 -1.09 -1.04 -1.286 -0.817565830721003 -0.807531091668039 -1.5427 -0.9933 3068466 PK04_095208 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K11 compound treatment -0.695 -0.173 -0.15 -1.172 -0.639 -0.61 -1.109 -0.640565830721003 -0.632703575822383 -0.8048 -0.9031 3068556 PK04_095209 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K12 compound treatment -0.907 -0.385 -0.34 -1.409 -0.876 -0.83 -0.92 -0.451565830721003 -0.446023347038039 -0.9356 -0.9305 3067978 PK04_095210 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K13 compound treatment -1.556 -1.03 -0.91 -1.515 -0.982 -0.94 -1.341 -0.872565830721003 -0.861856025970361 -1.5652 -0.9994 3068499 PK04_095211 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K14 compound treatment -0.687 -0.165 -0.15 -0.854 -0.321 -0.31 -1.082 -0.613565830721003 -0.606034971710334 -0.6104 -0.8793 3068588 PK04_095212 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K15 mock treatment -1.067 -0.545 -0.48 -0.904 -0.371 -0.35 -1.13 -0.661565830721003 -0.653445823465088 -0.8593 -0.9706 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K16 mock treatment -0.134 0.388 0.34 -0.461 0.072 0.07 -0.685 -0.216565830721003 -0.213907718655389 0.1144 0.2788 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K17 compound treatment -1.615 -1.09 -0.97 -1.107 -0.574 -0.55 -1.333 -0.864565830721003 -0.853954217344569 -1.3664 -0.9757 3068009 PK04_095213 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K18 compound treatment -1.063 -0.541 -0.48 0.209 0.742 0.71 -1.052 -0.583565830721003 -0.576403189363613 -0.2006 -0.1948 3186498 PK04_095214 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCCN(C)C)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K19 compound treatment -0.468 0.0544 0.05 -0.448 0.085 0.08 0.079 0.547434169278997 0.540715005107781 0.3868 0.7046 3068472 PK04_095215 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K20 compound treatment -0.063 0.459 0.41 -1.153 -0.62 -0.59 -0.322 0.146434169278997 0.14463684773994 -0.023 -0.0314 3187259 PK04_095216 COCCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K21 compound treatment -1.071 -0.549 -0.48 -1.5 -0.967 -0.92 -0.962 -0.493565830721003 -0.487507842323449 -1.0933 -0.9511 3187078 PK04_095217 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K22 compound treatment -0.468 0.0544 0.05 -0.736 -0.203 -0.19 -0.72 -0.251565830721003 -0.24847813139323 -0.2273 -0.7136 3068508 PK04_095218 COc1ccccc1CN2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K23 mock treatment -1.038 -0.516 -0.46 -1.183 -0.65 -0.62 -0.915 -0.446565830721003 -0.441084716646919 -0.8753 -0.9875 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 K24 mock treatment -1.203 -0.681 -0.6 -1.536 -1.0 -0.96 -1.4 -0.931565830721003 -0.92013186458558 -1.4303 -0.9819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L01 compound treatment -0.155 0.367 0.32 -0.849 -0.316 -0.3 -0.639 -0.170565830721003 -0.168472319057082 -0.0835 -0.1762 3187175 PK04_095219 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCCN(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L02 compound treatment -1.175 -0.653 -0.58 -1.711 -1.18 -1.12 -1.25 -0.781565830721003 -0.771972952851973 -1.4267 -0.9645 3186714 PK04_095220 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L03 compound treatment -1.315 -0.793 -0.7 -1.604 -1.07 -1.02 -1.487 -1.018565830721 -1.00606403339107 -1.5744 -0.9871 3067967 PK04_095221 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCc3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L04 compound treatment -1.071 -0.549 -0.48 -0.987 -0.454 -0.43 -0.831 -0.362565830721003 -0.358115726076099 -0.7364 -0.9926 3186429 PK04_095222 CC(C)CN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L05 compound treatment -0.788 -0.266 -0.23 -1.054 -0.521 -0.5 -0.808 -0.339565830721003 -0.335398026276946 -0.6157 -0.957 3068540 PK04_095223 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L06 compound treatment -1.352 -0.83 -0.73 -1.558 -1.02 -0.98 -1.289 -0.820565830721003 -0.810494269902711 -1.4551 -0.9928 3186551 PK04_095224 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L07 mock treatment -0.621 -0.0986 -0.09 -0.618 -0.085 -0.08 -1.285 -0.816565830721003 -0.806543365589815 -0.5627 -0.6902 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L08 mock treatment -0.917 -0.395 -0.35 -0.675 -0.142 -0.14 -0.763 -0.294565830721003 -0.290950352756864 -0.4475 -0.9441 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L09 compound treatment -0.244 0.278 0.25 -0.153 0.38 0.36 -0.516 -0.047565830721003 -0.0469820114355251 0.324 0.7359 3187518 PK04_095225 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L10 compound treatment -1.074 -0.552 -0.49 -1.477 -0.944 -0.9 -0.867 -0.398565830721003 -0.393673864892165 -1.028 -0.9379 3068144 PK04_095226 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCc5ccccc5)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L11 compound treatment -1.5 -0.978 -0.86 -0.933 -0.4 -0.38 -0.906 -0.437565830721003 -0.432195181942902 -0.9685 -0.9324 3187076 PK04_095227 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L12 compound treatment -1.049 -0.527 -0.47 -1.488 -0.955 -0.91 -1.436 -0.967565830721003 -0.955690003401646 -1.3458 -0.9618 3068313 PK04_095228 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L13 compound treatment 1.44 1.96 1.43 0.888 1.42 1.35 0.133 0.601434169278997 0.59405221333188 1.9527 0.948 3187347 PK04_095229 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(C)C)C(=O)c3ccccc32)c4ccc(CO)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L14 compound treatment -0.678 -0.156 -0.14 -1.128 -0.595 -0.57 -0.786 -0.317565830721003 -0.313668052556017 -0.5877 -0.8875 3068194 PK04_095230 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(C)C)C4=O)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L15 mock treatment -0.75 -0.228 -0.2 -0.765 -0.232 -0.22 -0.731 -0.262565830721003 -0.259343118253694 -0.3935 -0.9944 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L16 mock treatment -0.571 -0.0486 -0.04 -1.046 -0.513 -0.49 -0.78 -0.311565830721003 -0.307741696086673 -0.4846 -0.8368 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L17 compound treatment -1.198 -0.676 -0.6 -1.019 -0.486 -0.46 -0.797 -0.328565830721003 -0.324533039416481 -0.7995 -0.9721 3068510 PK04_095231 COc1ccccc1CN2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L18 compound treatment -1.406 -0.884 -0.78 -0.108 0.425 0.4 -1.133 -0.664565830721003 -0.65640900169976 -0.5962 -0.5431 3068263 PK04_095232 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3I)Sc4ccc(C)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L19 compound treatment -1.145 -0.623 -0.55 -0.673 -0.14 -0.13 -0.735 -0.266565830721003 -0.263294022566591 -0.5468 -0.8755 3067958 PK04_095233 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L20 compound treatment -0.91 -0.388 -0.34 -1.067 -0.534 -0.51 -0.867 -0.398565830721003 -0.393673864892165 -0.7188 -0.9863 3068403 PK04_095234 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L21 compound treatment -0.554 -0.0316 -0.03 -1.349 -0.816 -0.78 -0.9 -0.431565830721003 -0.426268825473558 -0.711 -0.8016 3187163 PK04_095235 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L22 compound treatment -1.026 -0.504 -0.45 -1.118 -0.585 -0.56 -0.128 0.340434169278997 0.336255706915404 -0.3846 -0.4878 3186433 PK04_095236 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L23 mock treatment -0.516 0.00645 0.01 -0.545 -0.012 -0.01 -0.029 0.439434169278997 0.434040588659584 0.2473 0.5695 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 L24 mock treatment -1.53 -1.01 -0.89 -1.165 -0.632 -0.6 -1.01 -0.541565830721003 -0.534918694078203 -1.1707 -0.9749 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M01 compound treatment -2.76 -2.24 -1.98 -1.859 -1.33 -1.26 -1.91 -1.441565830721 -1.42387216447984 -2.6935 -0.9811 3187444 PK04_095237 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M02 compound treatment -1.325 -0.803 -0.71 -0.877 -0.344 -0.33 -0.841 -0.372565830721003 -0.367992986858339 -0.8113 -0.9392 3068593 PK04_095238 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NC3CC3)c4ccccc4C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M03 compound treatment -1.4 -0.878 -0.78 -1.542 -1.01 -0.96 -1.058 -0.589565830721003 -0.582329545832957 -1.3391 -0.9806 3187441 PK04_095239 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M04 compound treatment -2.187 -1.66 -1.47 -2.183 -1.65 -1.57 -2.062 -1.593565830721 -1.5740065283699 -2.6659 -0.9995 3068649 PK04_095240 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M05 compound treatment 0.19 0.712 0.63 -1.153 -0.62 -0.59 -1.038 -0.569565830721003 -0.562575024268476 -0.3021 -0.2932 3068152 PK04_095241 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M06 compound treatment -1.264 -0.742 -0.66 -1.115 -0.582 -0.55 -1.4 -0.931565830721003 -0.92013186458558 -1.2298 -0.9772 3068655 PK04_095242 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M07 compound treatment -2.537 -2.01 -1.78 -2.155 -1.62 -1.55 -1.659 -1.190565830721 -1.17595291884561 -2.5993 -0.9865 3068005 PK04_095243 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M08 compound treatment -0.493 0.0294 0.03 -0.985 -0.452 -0.43 -0.725 -0.256565830721003 -0.25341676178435 -0.3799 -0.7593 3187084 PK04_095244 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M09 mock treatment -1.855 -1.33 -1.18 -1.489 -0.956 -0.91 -1.173 -0.704565830721003 -0.695918044828722 -1.6078 -0.9782 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M10 mock treatment -1.2 -0.678 -0.6 -0.89 -0.357 -0.34 -1.067 -0.598565830721003 -0.591219080536973 -0.8835 -0.9733 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M11 compound treatment -1.111 -0.589 -0.52 -1.421 -0.888 -0.85 -1.228 -0.759565830721003 -0.750242979131044 -1.222 -0.9818 3186422 PK04_095245 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M12 compound treatment -0.314 0.208 0.18 -0.338 0.195 0.19 0.031 0.499434169278997 0.493304153353027 0.4985 0.8927 3068142 PK04_095246 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M13 mock treatment -1.523 -1.0 -0.88 -1.197 -0.664 -0.63 -1.152 -0.683565830721003 -0.675175797186017 -1.2657 -0.9888 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M14 mock treatment -1.78 -1.26 -1.11 -1.494 -0.961 -0.92 -1.392 -0.923565830721003 -0.912230055959788 -1.6971 -0.9955 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M15 compound treatment -1.157 -0.635 -0.56 -0.528 0.00505 0.0 -0.833 -0.364565830721003 -0.360091178232547 -0.529 -0.7936 3068557 PK04_095247 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M16 compound treatment -1.522 -1.0 -0.88 -1.081 -0.548 -0.52 -1.375 -0.906565830721003 -0.895438712629979 -1.3286 -0.9754 3187170 PK04_095248 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M17 compound treatment -1.238 -0.716 -0.63 -2.458 -1.92 -1.83 -2.18 -1.711565830721 -1.69055820560033 -2.4 -0.9327 3187431 PK04_095249 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M18 compound treatment -1.797 -1.27 -1.13 -1.392 -0.859 -0.82 -1.571 -1.102565830721 -1.08903302396189 -1.7518 -0.9909 3187074 PK04_095250 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M19 compound treatment -2.093 -1.57 -1.39 -1.542 -1.01 -0.96 -1.386 -0.917565830721003 -0.906303699490443 -1.8799 -0.9808 3068552 PK04_095251 CC(C)NC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M20 compound treatment -0.774 -0.252 -0.22 -1.222 -0.689 -0.66 -1.224 -0.755565830721003 -0.746292074818148 -0.9382 -0.9212 3068014 PK04_095252 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)O)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M21 compound treatment -2.397 -1.87 -1.66 -1.878 -1.34 -1.28 -1.545 -1.076565830721 -1.06335214592807 -2.3105 -0.9835 3187086 PK04_095253 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M22 compound treatment -1.66 -1.14 -1.01 -1.299 -0.766 -0.73 -0.8 -0.331565830721003 -0.327496217651154 -1.191 -0.9269 3187428 PK04_095254 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M23 compound treatment -1.0 -0.478 -0.42 -1.152 -0.619 -0.59 -1.397 -0.928565830721003 -0.917168686350908 -1.1137 -0.9525 3187081 PK04_095255 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 M24 compound treatment -1.824 -1.3 -1.15 -1.507 -0.974 -0.93 -1.672 -1.203565830721 -1.18879335786252 -1.8864 -0.9945 3068003 PK04_095256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N01 compound treatment -1.843 -1.32 -1.17 -0.837 -0.304 -0.29 -1.951 -1.482565830721 -1.46436893368703 -1.6867 -0.89 3187360 PK04_095257 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N02 compound treatment 0.263 0.785 0.69 -1.432 -0.899 -0.86 -1.173 -0.704565830721003 -0.695918044828722 -0.4953 -0.3799 3068231 PK04_095258 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N03 compound treatment -1.873 -1.35 -1.19 -1.366 -0.833 -0.79 -1.821 -1.352565830721 -1.3359645435179 -1.9188 -0.9792 3068544 PK04_095259 CC(C)NC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N04 compound treatment -1.522 -1.0 -0.88 -1.278 -0.745 -0.71 -1.422 -0.953565830721003 -0.941861838306509 -1.4637 -0.9933 3187527 PK04_095260 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N05 compound treatment -1.291 -0.769 -0.68 -0.9 -0.367 -0.35 -1.219 -0.750565830721003 -0.741353444427028 -1.0221 -0.9601 3187260 PK04_095261 CCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N06 compound treatment -2.562 -2.04 -1.8 -2.232 -1.7 -1.62 -1.945 -1.476565830721 -1.45844257721768 -2.8175 -0.9963 3186724 PK04_095262 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N07 compound treatment -1.672 -1.15 -1.02 -1.39 -0.857 -0.82 -1.444 -0.975565830721003 -0.963591812027438 -1.6144 -0.9959 3068501 PK04_095263 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N08 compound treatment -1.738 -1.22 -1.07 -1.565 -1.03 -0.98 -1.208 -0.739565830721003 -0.730488457566563 -1.6098 -0.988 3186871 PK04_095264 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N09 mock treatment -0.812 -0.29 -0.26 -1.032 -0.499 -0.48 -1.068 -0.599565830721003 -0.592206806615197 -0.7641 -0.9536 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N10 mock treatment -1.492 -0.97 -0.86 -1.459 -0.926 -0.88 -1.348 -0.879565830721003 -0.86877010851793 -1.5058 -0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N11 compound treatment -1.338 -0.816 -0.72 -1.393 -0.86 -0.82 -1.062 -0.593565830721003 -0.586280450145853 -1.2278 -0.991 3187070 PK04_095265 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N12 compound treatment -1.37 -0.848 -0.75 -1.364 -0.831 -0.79 -1.667 -1.198565830721 -1.1838547274714 -1.5732 -0.9776 3186804 PK04_095266 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N13 mock treatment -0.975 -0.453 -0.4 -0.134 0.399 0.38 -0.785 -0.316565830721003 -0.312680326477793 -0.192 -0.3028 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N14 mock treatment -1.159 -0.637 -0.56 -1.06 -0.527 -0.5 -1.0 -0.531565830721003 -0.525041433295962 -0.9179 -0.9989 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N15 compound treatment -0.707 -0.185 -0.16 -0.808 -0.275 -0.26 -1.027 -0.558565830721003 -0.551710037408012 -0.564 -0.8921 3186424 PK04_095267 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N16 compound treatment -1.147 -0.625 -0.55 -1.051 -0.518 -0.49 -1.123 -0.654565830721003 -0.64653174091752 -0.977 -0.9938 3068226 PK04_095268 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N17 compound treatment -1.922 -1.4 -1.24 -1.145 -0.612 -0.58 -1.333 -0.864565830721003 -0.853954217344569 -1.544 -0.9575 3068455 PK04_095269 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N18 compound treatment -1.451 -0.929 -0.82 -1.368 -0.835 -0.8 -1.052 -0.583565830721003 -0.576403189363613 -1.266 -0.9889 3068137 PK04_095270 CN(C)CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N19 compound treatment -1.554 -1.03 -0.91 -1.303 -0.77 -0.73 -0.937 -0.468565830721003 -0.462814690367848 -1.2172 -0.9672 3068647 PK04_095271 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N20 compound treatment -1.552 -1.03 -0.91 -1.459 -0.926 -0.88 -1.184 -0.715565830721003 -0.706783031689186 -1.4429 -0.9942 3186492 PK04_095272 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N21 compound treatment -1.314 -0.792 -0.7 -1.406 -0.873 -0.83 -1.231 -0.762565830721003 -0.753206157365717 -1.319 -0.9975 3067959 PK04_095273 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N22 compound treatment -1.4 -0.878 -0.78 -1.719 -1.19 -1.13 -1.42 -0.951565830721003 -0.939886386150061 -1.6429 -0.9886 3187526 PK04_095274 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)O)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N23 compound treatment -0.987 -0.465 -0.41 -1.308 -0.775 -0.74 -1.043 -0.574565830721003 -0.567513654659596 -0.991 -0.9737 3068468 PK04_095275 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 N24 compound treatment -0.931 -0.409 -0.36 -0.846 -0.313 -0.3 -1.07 -0.601565830721003 -0.594182258771646 -0.7237 -0.9566 3068222 PK04_095276 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O01 compound treatment -1.012 -0.49 -0.43 -1.459 -0.926 -0.88 -1.25 -0.781565830721003 -0.771972952851973 -1.2049 -0.9642 3068590 PK04_095277 CC(C)NC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O02 compound treatment -1.022 -0.5 -0.44 -0.939 -0.406 -0.39 -1.108 -0.639565830721003 -0.631715849744159 -0.843 -0.9775 3067977 PK04_095278 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O03 compound treatment -0.796 -0.274 -0.24 -1.349 -0.816 -0.78 -1.739 -1.270565830721 -1.25497100510353 -1.313 -0.8777 3068512 PK04_095279 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O04 compound treatment -0.824 -0.302 -0.27 -1.299 -0.766 -0.73 -1.679 -1.210565830721 -1.19570744041009 -1.2656 -0.8875 3068637 PK04_095280 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O05 compound treatment -1.111 -0.589 -0.52 -0.656 -0.123 -0.12 -0.77 -0.301565830721003 -0.297864435304432 -0.54 -0.884 3068459 PK04_095281 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O06 compound treatment -1.267 -0.745 -0.66 0.141 0.674 0.64 -1.514 -1.045565830721 -1.03273263750312 -0.6056 -0.4379 3187520 PK04_095282 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O07 compound treatment -0.683 -0.161 -0.14 -0.448 0.085 0.08 -0.736 -0.267565830721003 -0.264281748644815 -0.1878 -0.6042 3186989 PK04_095283 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O08 compound treatment -1.179 -0.657 -0.58 -2.105 -1.57 -1.5 -0.656 -0.187565830721003 -0.185263662386891 -1.3067 -0.8082 3187364 PK04_095284 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O09 compound treatment -0.707 -0.185 -0.16 -2.136 -1.6 -1.53 -1.355 -0.886565830721003 -0.875684191065498 -1.4814 -0.838 3068604 PK04_095285 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O10 compound treatment -0.802 -0.28 -0.25 -1.352 -0.819 -0.78 -1.269 -0.800565830721003 -0.79073974833823 -1.0497 -0.9224 3187362 PK04_095286 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O11 mock treatment -0.802 -0.28 -0.25 -1.167 -0.634 -0.6 -1.094 -0.625565830721003 -0.617887684649023 -0.8481 -0.9437 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O12 mock treatment -0.953 -0.431 -0.38 -0.843 -0.31 -0.3 -0.985 -0.516565830721003 -0.510225542122602 -0.6848 -0.9759 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O13 compound treatment -1.685 -1.16 -1.03 -1.942 -1.41 -1.34 -1.744 -1.275565830721 -1.25990963549465 -2.0958 -0.994 3068644 PK04_095287 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O14 compound treatment -1.722 -1.2 -1.06 -1.449 -0.916 -0.87 -1.543 -1.074565830721 -1.06137669377162 -1.7289 -0.9961 3068464 PK04_095288 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O15 compound treatment -0.313 0.209 0.19 -1.4 -0.867 -0.83 -1.887 -1.418565830721 -1.40115446468069 -1.1789 -0.7202 3187516 PK04_095289 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O16 compound treatment -1.222 -0.7 -0.62 -1.262 -0.729 -0.69 -1.509 -1.040565830721 -1.027794007112 -1.3514 -0.975 3187164 PK04_095290 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O17 compound treatment -1.415 -0.893 -0.79 -0.675 -0.142 -0.14 -0.698 -0.229565830721003 -0.226748157672301 -0.6646 -0.7987 3187177 PK04_095291 CC(C)CNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O18 compound treatment -0.953 -0.431 -0.38 -0.458 0.075 0.07 -0.824 -0.355565830721003 -0.351201643528531 -0.3813 -0.7292 3068546 PK04_095292 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O19 compound treatment -0.393 0.129 0.11 -0.554 -0.021 -0.02 -0.717 -0.248565830721003 -0.245514953158558 -0.0872 -0.321 3187256 PK04_095293 CC(C)CNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O20 compound treatment -0.437 0.0854 0.08 -0.833 -0.3 -0.29 -0.276 0.192434169278997 0.190072247338246 -0.0116 -0.0331 3187088 PK04_095294 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O21 compound treatment -1.243 -0.721 -0.64 -1.585 -1.05 -1.0 -1.069 -0.600565830721003 -0.593194532693421 -1.2889 -0.971 3186494 PK04_095295 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(C)C)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O22 compound treatment -1.101 -0.579 -0.51 -1.508 -0.975 -0.93 -1.365 -0.896565830721003 -0.885561451847738 -1.3428 -0.972 3187161 PK04_095296 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O23 compound treatment -0.846 -0.324 -0.29 -1.279 -0.746 -0.71 -1.015 -0.546565830721003 -0.539857324469323 -0.8871 -0.9466 3187267 PK04_095297 CC(C)CNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 O24 compound treatment -1.044 -0.522 -0.46 -1.583 -1.05 -1.0 -1.657 -1.188565830721 -1.17397746668916 -1.5215 -0.9452 3068502 PK04_095298 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P01 compound treatment -0.364 0.158 0.14 -0.667 -0.134 -0.13 0.158 0.626434169278997 0.618745365287481 0.3644 0.5632 3068591 PK04_095299 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2CC4(CC5CC6CC(C5)C4)C6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P02 compound treatment -0.671 -0.149 -0.13 -0.855 -0.322 -0.31 -0.84 -0.371565830721003 -0.367005260780115 -0.4648 -0.9371 3187521 PK04_095300 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P03 compound treatment -1.402 -0.88 -0.78 -1.205 -0.672 -0.64 -1.33 -0.861565830721003 -0.850991039109897 -1.3099 -0.9934 3186990 PK04_095301 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P04 compound treatment -1.256 -0.734 -0.65 -0.63 -0.097 -0.09 -0.68 -0.211565830721003 -0.208969088264268 -0.5484 -0.7976 3186985 PK04_095302 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P05 compound treatment -1.098 -0.576 -0.51 0.505 1.04 0.99 0.247 0.715434169278997 0.706652986249421 0.6851 0.52 3067579 PK04_095303 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P06 compound treatment -1.409 -0.887 -0.78 -1.132 -0.599 -0.57 -1.267 -0.798565830721003 -0.788764296181782 -1.2374 -0.99 3186975 PK04_095304 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P07 compound treatment -1.419 -0.897 -0.79 -0.881 -0.348 -0.33 -0.269 0.199434169278997 0.196986329885814 -0.5353 -0.6073 3068548 PK04_095305 CC(C)CNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P08 compound treatment -1.324 -0.802 -0.71 -0.959 -0.426 -0.41 -0.354 0.114434169278997 0.11302961323677 -0.5782 -0.7013 3067563 PK04_095306 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CCN5CCOCC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P09 compound treatment -0.202 0.32 0.28 -0.506 0.027 0.03 -0.115 0.353434169278997 0.349096145932317 0.38 0.8438 3067961 PK04_095307 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P10 compound treatment -1.65 -1.13 -1.0 -1.671 -1.14 -1.08 -0.102 0.366434169278997 0.361936584949229 -0.9925 -0.6544 3068015 PK04_095308 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P11 mock treatment -0.718 -0.196 -0.17 -0.701 -0.168 -0.16 -0.06 0.408434169278997 0.403421080234639 0.0407 0.0872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P12 mock treatment -1.798 -1.28 -1.13 -1.167 -0.634 -0.6 -1.026 -0.557565830721003 -0.550722311329788 -1.3177 -0.9461 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P13 compound treatment -0.686 -0.164 -0.14 -0.926 -0.393 -0.37 -1.077 -0.608565830721003 -0.601096341319214 -0.6467 -0.8947 3187510 PK04_095309 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P14 compound treatment -0.6 -0.0776 -0.07 -0.712 -0.179 -0.17 -0.952 -0.483565830721003 -0.477630581541208 -0.4138 -0.8085 3186495 PK04_095310 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCN5CCOCC5)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P15 compound treatment -1.086 -0.564 -0.5 -1.066 -0.533 -0.51 -1.056 -0.587565830721003 -0.580354093676509 -0.9159 -0.9976 3187437 PK04_095311 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P16 compound treatment -0.45 0.0724 0.06 -0.78 -0.247 -0.24 -0.591 -0.122565830721003 -0.121061467302328 -0.1687 -0.6199 3186625 PK04_095312 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C(C)C)C4=O)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P17 compound treatment -1.023 -0.501 -0.44 -0.922 -0.389 -0.37 -0.797 -0.328565830721003 -0.324533039416481 -0.6568 -0.9919 3068541 PK04_095313 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P18 compound treatment -0.903 -0.381 -0.34 -0.966 -0.433 -0.41 -0.989 -0.520565830721003 -0.514176446435498 -0.7292 -0.9854 3186878 PK04_095314 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NC6CC6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P19 compound treatment 0.701 1.22 1.08 -1.311 -0.778 -0.74 -0.65 -0.181565830721003 -0.179337305917547 0.0931 0.0703 3187513 PK04_095315 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P20 compound treatment -1.293 -0.771 -0.68 -1.682 -1.15 -1.09 -0.693 -0.224565830721003 -0.221809527281181 -1.1533 -0.8816 3068271 PK04_095316 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCc6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P21 compound treatment -0.647 -0.125 -0.11 -1.035 -0.502 -0.48 -0.117 0.351434169278997 0.347120693775869 -0.1392 -0.2317 3068008 PK04_095317 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P22 compound treatment -1.947 -1.42 -1.26 -1.493 -0.96 -0.91 -0.153 0.315434169278997 0.311562554959803 -1.0752 -0.6774 3068262 PK04_095318 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P23 compound treatment -0.155 0.367 0.32 -0.823 -0.29 -0.28 -0.093 0.375434169278997 0.370826119653246 0.2422 0.4285 3068469 PK04_095319 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2095 P24 compound treatment -2.148 -1.63 -1.44 -1.248 -0.715 -0.68 -1.252 -0.783565830721003 -0.773948405008421 -1.6698 -0.9441 3186794 PK04_095320 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A01 compound treatment -2.333 -1.81 -1.6 -2.088 -1.55 -1.48 -2.165 -1.696565830721 -1.67574231442697 -2.7469 -0.9987 3186490 PK04_096001 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A02 compound treatment -0.964 -0.442 -0.39 -0.453 0.08 0.08 -0.587 -0.118565830721003 -0.117110562989432 -0.249 -0.6005 3186641 PK04_096002 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A03 compound treatment -2.386 -1.86 -1.65 -2.232 -1.7 -1.62 -2.018 -1.549565830721 -1.53054658092804 -2.7693 -0.9995 3068261 PK04_096003 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A04 compound treatment -1.183 -0.661 -0.58 -1.028 -0.495 -0.47 -1.065 -0.596565830721003 -0.589243628380525 -0.9496 -0.9951 3186971 PK04_096004 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A05 compound treatment -1.331 -0.809 -0.71 -1.948 -1.41 -1.35 -1.809 -1.340565830721 -1.32411183057921 -1.9554 -0.9679 3186883 PK04_096005 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A06 compound treatment -2.567 -2.04 -1.81 -1.447 -0.914 -0.87 -1.905 -1.436565830721 -1.41893353408872 -2.3655 -0.9626 3068309 PK04_096006 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A07 compound treatment -2.5 -1.98 -1.75 -2.138 -1.6 -1.53 -1.935 -1.466565830721 -1.44856531643544 -2.7285 -0.9968 3186716 PK04_096007 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A08 compound treatment -0.902 -0.38 -0.34 -1.215 -0.682 -0.65 -1.152 -0.683565830721003 -0.675175797186017 -0.9586 -0.9632 3068367 PK04_096008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)Sc6ccc(C)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A09 compound treatment -2.032 -1.51 -1.33 -1.685 -1.15 -1.1 -1.429 -0.960565830721003 -0.948775920854077 -1.9519 -0.9902 3068224 PK04_096009 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A10 compound treatment -1.075 -0.553 -0.49 -0.754 -0.221 -0.21 -0.696 -0.227565830721003 -0.224772705515853 -0.5333 -0.9236 3186633 PK04_096010 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5C(F)(F)F)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A11 compound treatment -1.978 -1.46 -1.29 -1.928 -1.39 -1.33 -2.136 -1.667565830721 -1.64709825815848 -2.4612 -0.9937 3186986 PK04_096011 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A12 compound treatment -0.532 -0.00955 -0.01 -0.284 0.249 0.24 -0.455 0.013434169278997 0.0132692793361416 0.1398 0.5878 3186640 PK04_096012 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A13 mock treatment -2.011 -1.49 -1.32 -1.514 -0.981 -0.93 -1.94 -1.471565830721 -1.45350394682656 -2.1385 -0.9846 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A14 mock treatment -1.4 -0.878 -0.78 -1.18 -0.647 -0.62 -1.373 -0.904565830721003 -0.893463260473531 -1.3196 -0.9891 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A15 compound treatment -1.552 -1.03 -0.91 -1.213 -0.68 -0.65 -1.267 -0.798565830721003 -0.788764296181782 -1.3549 -0.9907 3186881 PK04_096013 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A16 compound treatment -1.778 -1.26 -1.11 -1.667 -1.13 -1.08 -1.886 -1.417565830721 -1.40016673860247 -2.073 -0.9928 3186790 PK04_096014 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A17 compound treatment -0.994 -0.472 -0.42 -1.707 -1.17 -1.12 -1.391 -0.922565830721003 -0.911242329881564 -1.4125 -0.9406 3186485 PK04_096015 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A18 compound treatment -2.532 -2.01 -1.78 -1.639 -1.11 -1.05 -1.875 -1.406565830721 -1.389301751742 -2.4361 -0.9786 3186802 PK04_096016 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A19 compound treatment -2.228 -1.71 -1.51 -1.836 -1.3 -1.24 -1.783 -1.314565830721 -1.29843095254539 -2.3369 -0.9964 3068405 PK04_096017 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A20 compound treatment -1.078 -0.556 -0.49 -1.203 -0.67 -0.64 -1.196 -0.727565830721003 -0.718635744627875 -1.067 -0.9885 3068141 PK04_096018 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A21 compound treatment -1.866 -1.34 -1.19 -1.857 -1.32 -1.26 -1.167 -0.698565830721003 -0.689991688359378 -1.8124 -0.9718 3186624 PK04_096019 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5OC)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A22 compound treatment -0.66 -0.138 -0.12 -0.643 -0.11 -0.1 0.125 0.593434169278997 0.586150404706087 0.2077 0.3418 3068200 PK04_096020 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCCN(C)C)C4=O)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A23 compound treatment -1.391 -0.869 -0.77 -1.607 -1.07 -1.02 -1.847 -1.378565830721 -1.36164542155173 -1.8202 -0.9743 3068358 PK04_096021 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 A24 compound treatment -0.857 -0.335 -0.3 -0.895 -0.362 -0.34 -1.045 -0.576565830721003 -0.569489106816044 -0.6986 -0.959 3068371 PK04_096022 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B01 compound treatment -1.183 -0.661 -0.58 -0.82 -0.287 -0.27 -1.494 -1.025565830721 -1.01297811593864 -1.0798 -0.8993 3187511 PK04_096023 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCC(F)(F)F)c3ccc(cc3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B02 compound treatment -1.074 -0.552 -0.49 -0.84 -0.307 -0.29 -0.867 -0.398565830721003 -0.393673864892165 -0.6776 -0.9799 3187030 PK04_096024 OCCCc1cc[n+](Cc2cccc(OC(F)(F)F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B03 compound treatment -1.375 -0.853 -0.75 -1.207 -0.674 -0.64 -1.595 -1.126565830721 -1.11273844983927 -1.4483 -0.9724 3187169 PK04_096025 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B04 compound treatment -1.323 -0.801 -0.71 -1.089 -0.556 -0.53 -1.421 -0.952565830721003 -0.940874112228285 -1.2576 -0.9741 3068853 PK04_096026 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B05 compound treatment -1.562 -1.04 -0.92 -1.174 -0.641 -0.61 -1.139 -0.670565830721003 -0.662335358169104 -1.2656 -0.9834 3068457 PK04_096027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B06 compound treatment 1.308 1.83 1.41 1.237 1.77 1.51 0.614 1.082434169279 1.06914845695764 2.3063 0.9899 3068854 PK04_096028 C[n+]1ccc2ccc(O)cc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B07 compound treatment -1.544 -1.02 -0.9 -1.235 -0.702 -0.67 -0.495 -0.026565830721003 -0.0262397637928201 -0.9227 -0.8208 3187352 PK04_096029 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCCN4CCOCC4)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B08 compound treatment -0.738 -0.216 -0.19 -0.983 -0.45 -0.43 -0.547 -0.078565830721003 -0.0776015198604705 -0.4023 -0.8461 3187112 PK04_096030 COc1cc2CC[N+](=Cc2cc1O)Cc3cc4OCOc4cc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B09 compound treatment -1.316 -0.794 -0.7 -1.595 -1.06 -1.01 -1.403 -0.934565830721003 -0.923095042820252 -1.5221 -0.9892 3068505 PK04_096031 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B10 compound treatment 0.292 0.814 0.72 0.661 1.19 1.14 0.0 0.468434169278997 0.462684644928082 1.3396 0.941 3068855 PK04_096032 C[n+]1ccc(CCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B11 compound treatment -1.465 -0.943 -0.83 -1.66 -1.13 -1.07 -1.063 -0.594565830721003 -0.587268176224077 -1.44 -0.9726 3068374 PK04_096033 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B12 compound treatment -0.328 0.194 0.17 -0.617 -0.084 -0.08 -0.185 0.283434169278997 0.279955320456634 0.2147 0.635 3187113 PK04_096034 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C=C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B13 mock treatment -1.238 -0.716 -0.63 -0.987 -0.454 -0.43 -1.187 -0.718565830721003 -0.709746209923859 -1.0247 -0.981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B14 mock treatment -1.395 -0.873 -0.77 -1.217 -0.684 -0.65 -1.233 -0.764565830721003 -0.755181609522165 -1.2576 -0.9973 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B15 compound treatment -2.352 -1.83 -1.62 -1.795 -1.26 -1.2 -2.165 -1.696565830721 -1.67574231442697 -2.5954 -0.9902 3187255 PK04_096035 COCCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B16 compound treatment 0.089 0.611 0.54 -0.263 0.27 0.26 0.143 0.611434169278997 0.60392947411412 0.8093 0.9517 3068856 PK04_096036 Oc1ccc2cc[n+](Cc3sc4ccccc4c3Cl)cc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B17 compound treatment -2.48 -1.96 -1.73 -1.603 -1.07 -1.02 -1.795 -1.326565830721 -1.31028366548408 -2.3442 -0.9775 3068608 PK04_096037 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B18 compound treatment -1.468 -0.946 -0.84 -1.065 -0.532 -0.51 -0.769 -0.300565830721003 -0.296876709226208 -0.9466 -0.9266 3187114 PK04_096038 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C5CC5)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B19 compound treatment -1.729 -1.21 -1.07 -1.371 -0.838 -0.8 -0.588 -0.119565830721003 -0.118098289067656 -1.1449 -0.856 3187171 PK04_096039 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B20 compound treatment -1.129 -0.607 -0.54 -1.27 -0.737 -0.7 -0.933 -0.464565830721003 -0.458863786054951 -0.9799 -0.9843 3068857 PK04_096040 OCCCc1cc[n+](Cc2ccc(o2)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B21 compound treatment -2.13 -1.61 -1.42 -2.169 -1.64 -1.56 -1.75 -1.281565830721 -1.265835991964 -2.4512 -0.9965 3068424 PK04_096041 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B22 compound treatment -0.971 -0.449 -0.4 -1.259 -0.726 -0.69 -0.903 -0.434565830721003 -0.42923200370823 -0.8761 -0.9676 3187115 PK04_096042 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B23 compound treatment -1.54 -1.02 -0.9 -1.727 -1.19 -1.14 -1.345 -0.876565830721003 -0.865806930283258 -1.676 -0.9923 3187072 PK04_096043 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 B24 compound treatment -0.977 -0.455 -0.4 -1.486 -0.953 -0.91 -1.492 -1.023565830721 -1.01100266378219 -1.3399 -0.9456 3187116 PK04_096044 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C01 compound treatment -1.17 -0.648 -0.57 -1.441 -0.908 -0.86 -1.326 -0.857565830721003 -0.847040134797001 -1.319 -0.9849 3068218 PK04_096045 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C02 compound treatment -1.024 -0.502 -0.44 -0.854 -0.321 -0.31 -0.867 -0.398565830721003 -0.393673864892165 -0.6598 -0.989 3186566 PK04_096046 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C03 compound treatment -1.372 -0.85 -0.75 -1.705 -1.17 -1.12 -2.458 -1.989565830721 -1.96514605534662 -2.2128 -0.9291 3186549 PK04_096047 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C04 compound treatment -2.175 -1.65 -1.46 -2.084 -1.55 -1.48 -2.544 -2.075565830721 -2.05009049807389 -2.8802 -0.9867 3186726 PK04_096048 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C05 compound treatment -2.0 -1.48 -1.31 -1.25 -0.717 -0.68 -1.426 -0.957565830721003 -0.945812742619405 -1.6946 -0.9676 3186792 PK04_096049 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C06 compound treatment -1.4 -0.878 -0.78 -0.579 -0.046 -0.04 -1.411 -0.942565830721003 -0.930996851446044 -1.0107 -0.8335 3186987 PK04_096050 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C07 compound treatment -0.781 -0.259 -0.23 -0.579 -0.046 -0.04 -0.69 -0.221565830721003 -0.218846349046509 -0.2836 -0.8877 3068275 PK04_096051 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C08 compound treatment -0.807 -0.285 -0.25 -1.508 -0.975 -0.93 -0.417 0.051434169278997 0.0508028703086553 -0.6522 -0.6768 3186560 PK04_096052 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C09 compound treatment -0.924 -0.402 -0.36 -2.106 -1.57 -1.5 -1.222 -0.753565830721003 -0.7443166226617 -1.4998 -0.8769 3068147 PK04_096053 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C10 compound treatment -1.242 -0.72 -0.64 -1.81 -1.28 -1.22 -1.59 -1.121565830721 -1.10779981944815 -1.7092 -0.9689 3186976 PK04_096054 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C11 mock treatment -2.091 -1.57 -1.39 -1.948 -1.41 -1.35 -1.642 -1.173565830721 -1.1591615755158 -2.2481 -0.9971 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C12 mock treatment -0.952 -0.43 -0.38 -1.216 -0.683 -0.65 -1.125 -0.656565830721003 -0.648507193073968 -0.9693 -0.9751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C13 compound treatment -1.78 -1.26 -1.11 -2.313 -1.78 -1.7 -2.046 -1.577565830721 -1.55820291111831 -2.5205 -0.9856 3186974 PK04_096055 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C14 compound treatment -0.704 -0.182 -0.16 -0.703 -0.17 -0.16 -0.74 -0.271565830721003 -0.268232652957711 -0.341 -0.9687 3186876 PK04_096056 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C15 mock treatment -1.892 -1.37 -1.21 -1.484 -0.951 -0.91 -1.839 -1.370565830721 -1.35374361292594 -2.0037 -0.9872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C16 mock treatment -0.906 -0.384 -0.34 -0.929 -0.396 -0.38 -1.102 -0.633565830721003 -0.625789493274815 -0.7749 -0.9619 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C17 compound treatment -1.603 -1.08 -0.96 -1.12 -0.587 -0.56 -1.27 -0.801565830721003 -0.791727474416454 -1.3315 -0.9784 3186553 PK04_096057 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C18 compound treatment -0.623 -0.101 -0.09 -0.59 -0.057 -0.05 -0.543 -0.074565830721003 -0.0736506155475743 -0.1252 -0.9813 3186634 PK04_096058 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C19 compound treatment -0.913 -0.391 -0.35 -0.651 -0.118 -0.11 1.141 1.609434169279 1.48916468112268 0.5955 0.3885 3186638 PK04_096059 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C20 compound treatment -0.093 0.429 0.38 -0.197 0.336 0.32 0.138 0.606434169278997 0.598990843723 0.7499 0.9637 3068219 PK04_096060 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C21 compound treatment -0.83 -0.308 -0.27 -2.095 -1.56 -1.49 -1.42 -0.951565830721003 -0.939886386150061 -1.5587 -0.8753 3068151 PK04_096061 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C22 compound treatment -0.565 -0.0426 -0.04 -0.612 -0.079 -0.08 -0.656 -0.187565830721003 -0.185263662386891 -0.1721 -0.8459 3068158 PK04_096062 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C23 compound treatment -2.519 -2.0 -1.77 -2.063 -1.53 -1.46 -1.894 -1.425565830721 -1.40806854722826 -2.6736 -0.9948 3186800 PK04_096063 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 C24 compound treatment -0.679 -0.157 -0.14 -1.276 -0.743 -0.71 -1.236 -0.767565830721003 -0.758144787756837 -0.9263 -0.8852 3068376 PK04_096064 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D01 compound treatment -0.645 -0.123 -0.11 0.649 1.18 1.13 -1.016 -0.547565830721003 -0.540845050547547 0.2753 0.2196 3068407 PK04_096065 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D02 compound treatment -1.12 -0.598 -0.53 -1.228 -0.695 -0.66 -1.138 -0.669565830721003 -0.66134763209088 -1.0691 -0.9948 3187117 PK04_096066 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D03 compound treatment -0.865 -0.343 -0.3 0.8 1.33 1.27 -1.06 -0.591565830721003 -0.584304997989405 0.221 0.1545 3187274 PK04_096067 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D04 compound treatment -0.107 0.415 0.37 0.351 0.884 0.84 -0.021 0.447434169278997 0.441942397285377 0.9535 0.9352 3068858 PK04_096068 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C=C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D05 compound treatment -0.841 -0.319 -0.28 -0.791 -0.258 -0.25 -0.943 -0.474565830721003 -0.468741046837192 -0.5751 -0.9593 3187075 PK04_096069 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D06 compound treatment -0.322 0.2 0.18 -1.0 -0.467 -0.44 -0.871 -0.402565830721003 -0.397624769205061 -0.3841 -0.6171 3187118 PK04_096070 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D07 compound treatment -1.137 -0.615 -0.54 -1.281 -0.748 -0.71 -0.093 0.375434169278997 0.370826119653246 -0.511 -0.5269 3068634 PK04_096071 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D08 compound treatment -0.488 0.0344 0.03 -0.952 -0.419 -0.4 0.066 0.534434169278997 0.527874566090869 0.0919 0.1388 3068859 PK04_096072 OCc1ccc(cc1)c2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D09 compound treatment -0.143 0.379 0.34 -0.9 -0.367 -0.35 0.652 1.120434169279 1.10668204793016 0.6308 0.5221 3067975 PK04_096073 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D10 compound treatment -1.098 -0.576 -0.51 0.151 0.684 0.65 -0.833 -0.364565830721003 -0.360091178232547 -0.1254 -0.1391 3068860 PK04_096074 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D11 mock treatment -0.774 -0.252 -0.22 -0.91 -0.377 -0.36 -0.787 -0.318565830721003 -0.314655778634241 -0.5174 -0.9823 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D12 mock treatment -1.506 -0.984 -0.87 -0.768 -0.235 -0.22 -0.765 -0.296565830721003 -0.292925804913312 -0.8004 -0.8474 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D13 compound treatment -0.617 -0.0946 -0.08 -1.073 -0.54 -0.51 -1.106 -0.637565830721003 -0.629740397587711 -0.7088 -0.8672 3187429 PK04_096075 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D14 compound treatment -1.321 -0.799 -0.71 -1.4 -0.867 -0.83 -1.352 -0.883565830721003 -0.872721012830826 -1.3883 -0.9962 3187119 PK04_096076 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D15 mock treatment -0.822 -0.3 -0.26 -0.617 -0.084 -0.08 -0.708 -0.239565830721003 -0.236625418454541 -0.3357 -0.9221 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D16 mock treatment -0.832 -0.31 -0.27 -0.737 -0.204 -0.19 -1.175 -0.706565830721003 -0.69789349698517 -0.6731 -0.8692 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D17 compound treatment -0.917 -0.395 -0.35 -1.46 -0.927 -0.88 -1.384 -0.915565830721003 -0.904328247333995 -1.2333 -0.9406 3187348 PK04_096077 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D18 compound treatment -0.696 -0.174 -0.15 -1.061 -0.528 -0.5 -0.732 -0.263565830721003 -0.260330844331919 -0.5293 -0.902 3068861 PK04_096078 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C4CC4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D19 compound treatment -1.146 -0.624 -0.55 -0.81 -0.277 -0.26 -0.254 0.214434169278997 0.211802221059175 -0.3483 -0.5385 3187354 PK04_096079 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D20 compound treatment -0.72 -0.198 -0.17 -0.943 -0.41 -0.39 -0.164 0.304434169278997 0.300697568099339 -0.1527 -0.292 3187120 PK04_096080 OCc1ccc(cc1)c2cc[n+](Cc3sc4ccccc4c3Cl)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D21 compound treatment -0.705 -0.183 -0.16 -1.512 -0.979 -0.93 0.199 0.667434169278997 0.659242134494667 -0.251 -0.2176 3187433 PK04_096081 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D22 compound treatment 0.307 0.829 0.73 -0.281 0.252 0.24 -0.079 0.389434169278997 0.384654284748382 0.7841 0.9094 3068862 PK04_096082 COc1cc2CCN(C)C(C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D23 compound treatment -0.925 -0.403 -0.36 -1.078 -0.545 -0.52 -0.817 -0.348565830721003 -0.344287560980962 -0.704 -0.9812 3068462 PK04_096083 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 D24 compound treatment -2.583 -2.06 -1.82 -1.295 -0.762 -0.73 -1.051 -0.582565830721003 -0.575415463285389 -1.8031 -0.8823 3187121 PK04_096084 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E01 mock treatment -1.605 -1.08 -0.96 -1.312 -0.779 -0.74 -1.537 -1.068565830721 -1.05545033730227 -1.5904 -0.99 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E02 mock treatment -1.185 -0.663 -0.59 -0.908 -0.375 -0.36 -0.869 -0.400565830721003 -0.395649317048613 -0.7728 -0.9758 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E03 compound treatment -1.338 -0.816 -0.72 -1.177 -0.644 -0.61 -1.133 -0.664565830721003 -0.65640900169976 -1.1494 -0.9978 3186708 PK04_096085 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E04 compound treatment -1.359 -0.837 -0.74 -1.227 -0.694 -0.66 -1.574 -1.105565830721 -1.09199620219656 -1.4392 -0.9755 3186710 PK04_096086 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E05 compound treatment -1.473 -0.951 -0.84 -2.033 -1.5 -1.43 -1.696 -1.227565830721 -1.2124987837399 -2.0102 -0.9788 3186888 PK04_096087 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E06 compound treatment -0.857 -0.335 -0.3 -0.645 -0.112 -0.11 -0.953 -0.484565830721003 -0.478618307619432 -0.5087 -0.8883 3186565 PK04_096088 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E07 compound treatment -0.696 -0.174 -0.15 -1.246 -0.713 -0.68 -1.146 -0.677565830721003 -0.669249440716673 -0.8671 -0.8978 3186983 PK04_096089 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E08 compound treatment -0.889 -0.367 -0.32 -0.746 -0.213 -0.2 -0.49 -0.021565830721003 -0.0213011334016999 -0.3165 -0.8266 3067581 PK04_096090 CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E09 mock treatment -1.271 -0.749 -0.66 -1.203 -0.67 -0.64 -0.981 -0.512565830721003 -0.506274637809706 -1.0429 -0.9936 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E10 mock treatment -1.268 -0.746 -0.66 -1.027 -0.494 -0.47 -1.213 -0.744565830721003 -0.735427087957684 -1.0768 -0.9843 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E11 compound treatment -1.981 -1.46 -1.29 -2.047 -1.51 -1.44 -2.075 -1.606565830721 -1.58684696738681 -2.4934 -0.9965 3186717 PK04_096091 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E12 compound treatment -0.75 -0.228 -0.2 -0.486 0.047 0.04 -0.523 -0.054565830721003 -0.0538960939830934 -0.1214 -0.5698 3068221 PK04_096092 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E13 compound treatment -1.01 -0.488 -0.43 -1.0 -0.467 -0.44 -1.086 -0.617565830721003 -0.60998587602323 -0.8579 -0.9868 3068273 PK04_096093 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E14 compound treatment -1.588 -1.07 -0.94 -1.277 -0.744 -0.71 -1.553 -1.084565830721 -1.07125395455386 -1.5716 -0.9866 3068377 PK04_096094 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E15 compound treatment -1.442 -0.92 -0.81 -0.985 -0.452 -0.43 -1.115 -0.646565830721003 -0.638629932291727 -1.0867 -0.9703 3068408 PK04_096095 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E16 compound treatment -0.303 0.219 0.19 -0.087 0.446 0.42 -0.078 0.390434169278997 0.385642010826606 0.58 0.9575 3186635 PK04_096096 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E17 mock treatment -1.203 -0.681 -0.6 -1.508 -0.975 -0.93 -1.244 -0.775565830721003 -0.766046596382629 -1.3259 -0.9851 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E18 mock treatment -1.409 -0.887 -0.78 -1.224 -0.691 -0.66 -1.0 -0.531565830721003 -0.525041433295962 -1.1357 -0.9873 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E19 compound treatment -1.823 -1.3 -1.15 -1.733 -1.2 -1.14 -1.437 -0.968565830721003 -0.95667772947987 -1.8762 -0.9966 3186791 PK04_096097 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E20 compound treatment -0.4 0.122 0.11 -0.631 -0.098 -0.09 -0.36 0.108434169278997 0.107103256767426 0.0705 0.3945 3068233 PK04_096098 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E21 compound treatment -1.8 -1.28 -1.13 -1.774 -1.24 -1.18 -1.423 -0.954565830721003 -0.942849564384733 -1.879 -0.9956 3186719 PK04_096099 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)Sc6ccc(C)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E22 compound treatment -1.638 -1.12 -0.99 -1.464 -0.931 -0.89 -1.766 -1.297565830721 -1.28163960921558 -1.8214 -0.9875 3186789 PK04_096100 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E23 compound treatment -1.92 -1.4 -1.24 -1.828 -1.29 -1.23 -2.031 -1.562565830721 -1.54338701994495 -2.3167 -0.9941 3186803 PK04_096101 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 E24 compound treatment -1.327 -0.805 -0.71 -1.122 -0.589 -0.56 -1.397 -0.928565830721003 -0.917168686350908 -1.2641 -0.9806 3186711 PK04_096102 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F01 mock treatment -0.594 -0.0716 -0.06 -0.873 -0.34 -0.32 -0.747 -0.278565830721003 -0.275146735505279 -0.3824 -0.89 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F02 mock treatment -1.638 -1.12 -0.99 -1.6 -1.07 -1.02 -1.487 -1.018565830721 -1.00606403339107 -1.7371 -0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F03 compound treatment -1.437 -0.915 -0.81 -1.19 -0.657 -0.63 -1.481 -1.012565830721 -1.00013767692173 -1.4056 -0.9827 3068521 PK04_096103 CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F04 compound treatment -1.042 -0.52 -0.46 -1.329 -0.796 -0.76 -1.583 -1.114565830721 -1.10088573690058 -1.3386 -0.947 3187122 PK04_096104 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F05 compound treatment -1.479 -0.957 -0.85 -0.907 -0.374 -0.36 -1.093 -0.624565830721003 -0.616899958570798 -1.0501 -0.9497 3068461 PK04_096105 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F06 compound treatment -0.918 -0.396 -0.35 -0.797 -0.264 -0.25 -0.7 -0.231565830721003 -0.228723609828749 -0.4791 -0.9825 3068863 PK04_096106 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F07 compound treatment -0.812 -0.29 -0.26 -0.84 -0.307 -0.29 -0.803 -0.334565830721003 -0.330459395885826 -0.5074 -0.9947 3187077 PK04_096107 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F08 compound treatment -1.2 -0.678 -0.6 -1.613 -1.08 -1.03 -1.012 -0.543565830721003 -0.536894146234651 -1.2498 -0.957 3187123 PK04_096108 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F09 mock treatment -1.013 -0.491 -0.43 -0.836 -0.303 -0.29 -0.765 -0.296565830721003 -0.292925804913312 -0.5861 -0.9807 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F10 mock treatment -1.471 -0.949 -0.84 -1.677 -1.14 -1.09 -1.217 -0.748565830721003 -0.73937799227058 -1.5402 -0.9865 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F11 compound treatment -0.012 0.51 0.45 -0.037 0.496 0.47 -0.256 0.212434169278997 0.209826768902726 0.6545 0.9537 3187438 PK04_096109 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F12 compound treatment -0.779 -0.257 -0.23 -1.403 -0.87 -0.83 -1.361 -0.892565830721003 -0.881610547534842 -1.1184 -0.9085 3187124 PK04_096110 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OC)c3ccc(CO)cc3)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F13 compound treatment -2.155 -1.63 -1.44 -1.367 -0.834 -0.79 -1.816 -1.347565830721 -1.33102591312678 -2.0605 -0.9728 3068559 PK04_096111 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F14 compound treatment -1.495 -0.973 -0.86 -1.46 -0.927 -0.88 -1.539 -1.070565830721 -1.05742578945872 -1.6168 -0.9956 3068864 PK04_096112 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F15 compound treatment -1.931 -1.41 -1.25 -1.805 -1.27 -1.21 -2.26 -1.791565830721 -1.76957629185826 -2.4402 -0.984 3186801 PK04_096113 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F16 compound treatment -1.966 -1.44 -1.28 -1.568 -1.03 -0.99 -2.273 -1.804565830721 -1.78241673087517 -2.3352 -0.9715 3187125 PK04_096114 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F17 mock treatment -1.308 -0.786 -0.69 -0.958 -0.425 -0.4 -0.426 0.042434169278997 0.0419133356046389 -0.6105 -0.7584 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F18 mock treatment -1.608 -1.09 -0.96 -1.232 -0.699 -0.67 -0.803 -0.334565830721003 -0.330459395885826 -1.1293 -0.9303 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F19 compound treatment -1.578 -1.06 -0.93 -0.374 0.159 0.15 -1.512 -1.043565830721 -1.03075718534667 -1.0464 -0.7481 3186718 PK04_096115 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NC6CC6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F20 compound treatment -1.377 -0.855 -0.76 -2.186 -1.65 -1.57 -0.965 -0.496565830721003 -0.490471020558121 -1.6285 -0.8977 3068865 PK04_096116 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F21 compound treatment -1.429 -0.907 -0.8 -1.64 -1.11 -1.05 -1.407 -0.938565830721003 -0.927045947133148 -1.6068 -0.9939 3067569 PK04_096117 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F22 compound treatment -1.431 -0.909 -0.8 -1.734 -1.2 -1.14 -1.405 -0.936565830721003 -0.9250704949767 -1.6584 -0.9893 3187126 PK04_096118 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C=C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F23 compound treatment -1.839 -1.32 -1.16 -2.093 -1.56 -1.49 -1.525 -1.056565830721 -1.04359762436359 -2.1325 -0.9887 3068643 PK04_096119 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 F24 compound treatment -0.907 -0.385 -0.34 -1.446 -0.913 -0.87 -1.355 -0.886565830721003 -0.875684191065498 -1.204 -0.9405 3187127 PK04_096120 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G01 compound treatment -1.013 -0.491 -0.43 -0.991 -0.458 -0.44 -1.19 -0.721565830721003 -0.712709388158531 -0.9138 -0.9706 3186434 PK04_096121 CN(C)CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G02 compound treatment -0.63 -0.108 -0.1 -0.47 0.063 0.06 -0.486 -0.017565830721003 -0.0173502290888037 -0.0302 -0.2657 3067602 PK04_096122 CC(C)N1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G03 mock treatment -1.461 -0.939 -0.83 -1.277 -0.744 -0.71 -1.661 -1.192565830721 -1.17792837100206 -1.5683 -0.9767 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G04 mock treatment -1.034 -0.512 -0.45 -0.988 -0.455 -0.43 -0.915 -0.446565830721003 -0.441084716646919 -0.766 -0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G05 compound treatment -1.22 -0.698 -0.62 -0.872 -0.339 -0.32 -1.129 -0.660565830721003 -0.652458097386864 -0.9192 -0.9634 3068238 PK04_096123 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G06 compound treatment -1.77 -1.25 -1.1 -1.375 -0.842 -0.8 -1.526 -1.057565830721 -1.04458535044181 -1.703 -0.9913 3068315 PK04_096124 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G07 compound treatment -0.711 -0.189 -0.17 -1.159 -0.626 -0.6 0.038 0.506434169278997 0.500218235900595 -0.1517 -0.1906 3186805 PK04_096125 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G08 compound treatment 0.418 0.94 0.83 -1.769 -1.24 -1.18 -0.552 -0.083565830721003 -0.0825401502515907 -0.2474 -0.1714 3186712 PK04_096126 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G09 compound treatment -0.694 -0.172 -0.15 -1.254 -0.721 -0.69 -1.0 -0.531565830721003 -0.525041433295962 -0.7872 -0.8969 3068360 PK04_096127 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G10 compound treatment -0.295 0.227 0.2 -0.591 -0.058 -0.06 -0.544 -0.075565830721003 -0.0746383416257983 0.0411 0.1857 3186431 PK04_096128 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N([C@@H]3c4ccc(CO)cc24)C5CCCCC5)c6ccc(cc6)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G11 compound treatment -2.0 -1.48 -1.31 -1.73 -1.2 -1.14 -1.439 -0.970565830721003 -0.958653181636318 -1.966 -0.9923 3186642 PK04_096129 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G12 compound treatment -0.632 -0.11 -0.1 -1.338 -0.805 -0.77 -1.239 -0.770565830721003 -0.761107965991509 -0.9381 -0.8648 3068326 PK04_096130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G13 compound treatment -0.715 -0.193 -0.17 -0.672 -0.139 -0.13 -0.954 -0.485565830721003 -0.479606033697656 -0.4516 -0.8588 3186484 PK04_096131 CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G14 compound treatment -0.917 -0.395 -0.35 -0.905 -0.372 -0.35 -0.971 -0.502565830721003 -0.496397377027465 -0.6926 -0.9857 3068146 PK04_096132 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G15 compound treatment -0.918 -0.396 -0.35 -0.851 -0.318 -0.3 -1.0 -0.531565830721003 -0.525041433295962 -0.6799 -0.9716 3068195 PK04_096133 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C6CC6)C4=O)c7ccccc7C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G16 compound treatment -2.322 -1.8 -1.59 -1.835 -1.3 -1.24 -2.048 -1.579565830721 -1.56017836327476 -2.5354 -0.9942 3068279 PK04_096134 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G17 compound treatment -1.419 -0.897 -0.79 -0.854 -0.321 -0.31 -1.015 -0.546565830721003 -0.539857324469323 -0.9458 -0.9397 3068328 PK04_096135 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G18 compound treatment -1.787 -1.26 -1.12 -1.902 -1.37 -1.3 -1.757 -1.288565830721 -1.27275007451156 -2.1332 -0.9978 3068311 PK04_096136 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G19 mock treatment 0.278 0.8 0.71 -0.729 -0.196 -0.19 -0.124 0.344434169278997 0.3402066112283 0.4972 0.6161 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G20 mock treatment -0.134 0.388 0.34 -1.061 -0.528 -0.5 -0.225 0.243434169278997 0.240446277327672 0.0467 0.0713 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G21 compound treatment -1.012 -0.49 -0.43 -2.167 -1.63 -1.56 -1.324 -0.855565830721003 -0.845064682640553 -1.6365 -0.8975 3068284 PK04_096137 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G22 compound treatment -1.375 -0.853 -0.75 -1.576 -1.04 -0.99 -1.238 -0.769565830721003 -0.760120239913285 -1.4477 -0.9912 3186501 PK04_096138 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G23 compound treatment -2.0 -1.48 -1.31 -1.633 -1.1 -1.05 -1.492 -1.023565830721 -1.01100266378219 -1.9429 -0.9932 3186555 PK04_096139 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 G24 compound treatment -1.306 -0.784 -0.69 -1.969 -1.44 -1.37 -1.431 -0.962565830721003 -0.950751373010525 -1.7387 -0.9637 3186877 PK04_096140 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H01 compound treatment 1.064 1.59 1.36 0.359 0.892 0.85 0.373 0.841434169278997 0.83110647210565 1.7561 0.9719 3186629 PK04_096141 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H02 compound treatment -0.825 -0.303 -0.27 -0.875 -0.342 -0.33 -0.837 -0.368565830721003 -0.364042082545443 -0.5527 -0.9923 3068866 PK04_096142 OCc1ccc(cc1)c2cc[n+](Cc3cc4OCOc4cc3Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H03 mock treatment -0.671 -0.149 -0.13 -0.554 -0.021 -0.02 -0.737 -0.268565830721003 -0.265269474723039 -0.2405 -0.8107 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H04 mock treatment -0.853 -0.331 -0.29 -0.765 -0.232 -0.22 -0.907 -0.438565830721003 -0.433182908021126 -0.5464 -0.9631 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H05 compound treatment -0.607 -0.0846 -0.07 -0.737 -0.204 -0.19 -0.77 -0.301565830721003 -0.297864435304432 -0.3273 -0.9007 3186432 PK04_096143 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H06 compound treatment -0.094 0.428 0.38 -0.038 0.495 0.47 -0.323 0.145434169278997 0.143649121661715 0.5739 0.9231 3068867 PK04_096144 OCc1ccc(cc1)c2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H07 compound treatment -0.823 -0.301 -0.27 -1.073 -0.54 -0.51 -0.106 0.362434169278997 0.357985680636333 -0.2437 -0.358 3187128 PK04_096145 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3C4CC5CC(C4)CC3C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H08 compound treatment -0.732 -0.21 -0.19 -0.349 0.184 0.18 0.105 0.573434169278997 0.566395883141606 0.3213 0.5172 3068868 PK04_096146 COc1cc2CC[N+](=Cc2cc1O)Cc3sc4ccccc4c3Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H09 compound treatment -0.381 0.141 0.13 -0.317 0.216 0.21 0.335 0.803434169278997 0.793572881133137 0.6492 0.7828 3186637 PK04_096147 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H10 compound treatment -0.878 -0.356 -0.31 -0.182 0.351 0.33 -0.019 0.449434169278997 0.443917849441825 0.2679 0.4195 3187129 PK04_096148 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C4CC4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H11 compound treatment -0.543 -0.0206 -0.02 -0.329 0.204 0.19 -0.122 0.346434169278997 0.342182063384748 0.2993 0.7597 3187130 PK04_096149 CC1(C)OB(OC1(C)C)/C=C\CC(OC(=O)c2ccncc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H12 compound treatment -0.814 -0.292 -0.26 -0.241 0.292 0.28 -0.191 0.277434169278997 0.274028963987289 0.17 0.3634 3187131 PK04_096150 C[n+]1ccc(cc1)c2ccc(CO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H13 compound treatment -0.174 0.348 0.31 -0.987 -0.454 -0.43 -0.864 -0.395565830721003 -0.390710686657492 -0.2974 -0.4511 3068898 PK04_096151 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)C)c2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H14 compound treatment -1.205 -0.683 -0.6 -1.407 -0.874 -0.83 -1.408 -0.939565830721003 -0.928033673211372 -1.3649 -0.9854 3187132 PK04_096152 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H15 compound treatment -0.828 -0.306 -0.27 -0.824 -0.291 -0.28 -1.014 -0.545565830721003 -0.538869598391099 -0.6271 -0.9452 3187133 PK04_096153 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H16 compound treatment -1.137 -0.615 -0.54 -0.99 -0.457 -0.44 -1.66 -1.191565830721 -1.17694064492383 -1.2445 -0.9101 3187134 PK04_096154 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C2)c6cccs6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H17 compound treatment -0.026 0.496 0.44 1.914 2.45 1.63 0.723 1.191434169279 1.17681059948407 1.8724 0.9108 3068899 PK04_096155 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)c3ccncc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H18 compound treatment -0.811 -0.289 -0.26 -0.69 -0.157 -0.15 -1.133 -0.664565830721003 -0.65640900169976 -0.6126 -0.8509 3068900 PK04_096156 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C5CC5)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H19 mock treatment -0.784 -0.262 -0.23 -0.609 -0.076 -0.07 -0.421 0.047434169278997 0.0468519659957592 -0.1482 -0.6007 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H20 mock treatment -1.047 -0.525 -0.46 -1.4 -0.867 -0.83 -1.382 -0.913565830721003 -0.902352795177547 -1.2656 -0.9674 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H21 compound treatment -0.52 0.00245 0.0 0.088 0.621 0.59 -0.118 0.350434169278997 0.346132967697645 0.5427 0.7917 3187204 PK04_096157 CC(C)(C)OC(=O)COc1cccc(c1)C(=O)CCN2CCOCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H22 compound treatment -0.25 0.272 0.24 -0.706 -0.173 -0.16 -0.519 -0.050565830721003 -0.0499451896701972 0.0151 0.051 3187205 PK04_096158 OCCCc1cc[n+](Cc2cc3OCOc3cc2Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H23 compound treatment -0.759 -0.237 -0.21 -1.0 -0.467 -0.44 -1.154 -0.685565830721003 -0.677151249342465 -0.7685 -0.9185 3068901 PK04_096159 COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 H24 compound treatment -2.681 -2.16 -1.91 -1.323 -0.79 -0.75 -1.366 -0.897565830721003 -0.886549177925963 -2.0481 -0.9165 3187206 PK04_096160 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I01 compound treatment -2.446 -1.92 -1.7 -1.935 -1.4 -1.34 -1.732 -1.263565830721 -1.24805692255596 -2.4735 -0.9907 3186796 PK04_096161 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I02 compound treatment -0.65 -0.128 -0.11 -0.769 -0.236 -0.22 -0.328 0.140434169278997 0.138710491270595 -0.1148 -0.3997 3186628 PK04_096162 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I03 compound treatment -1.197 -0.675 -0.6 -0.877 -0.344 -0.33 -0.78 -0.311565830721003 -0.307741696086673 -0.7112 -0.9523 3186882 PK04_096163 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I04 compound treatment -2.158 -1.64 -1.45 -2.294 -1.76 -1.68 -1.472 -1.003565830721 -0.991248142217711 -2.3757 -0.9791 3186797 PK04_096164 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I05 mock treatment -1.733 -1.21 -1.07 -2.37 -1.84 -1.75 -1.0 -0.531565830721003 -0.525041433295962 -1.9314 -0.9121 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I06 mock treatment -1.688 -1.17 -1.03 -1.048 -0.515 -0.49 -1.407 -0.938565830721003 -0.927045947133148 -1.4134 -0.9613 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I07 compound treatment -1.636 -1.11 -0.98 -1.466 -0.933 -0.89 -1.431 -0.962565830721003 -0.950751373010525 -1.6305 -0.9991 3186430 PK04_096165 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(C5CC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I08 compound treatment -1.131 -0.609 -0.54 -1.128 -0.595 -0.57 -1.093 -0.624565830721003 -0.616899958570798 -0.994 -0.9984 3186557 PK04_096166 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I09 compound treatment -1.944 -1.42 -1.26 -1.392 -0.859 -0.82 -1.781 -1.312565830721 -1.29645550038894 -1.9466 -0.9819 3186558 PK04_096167 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I10 compound treatment -1.619 -1.1 -0.97 -1.691 -1.16 -1.1 -1.741 -1.272565830721 -1.25694645725998 -1.9223 -0.9944 3068320 PK04_096168 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I11 compound treatment -1.464 -0.942 -0.83 -1.532 -0.999 -0.95 -1.396 -0.927565830721003 -0.916180960272684 -1.559 -0.9985 3068364 PK04_096169 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I12 compound treatment -0.855 -0.333 -0.29 -1.044 -0.511 -0.49 -0.726 -0.257565830721003 -0.254404487862574 -0.5977 -0.9594 3186489 PK04_096170 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I13 compound treatment -2.4 -1.88 -1.66 -1.257 -0.724 -0.69 -1.06 -0.591565830721003 -0.584304997989405 -1.6939 -0.8962 3186807 PK04_096171 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I14 compound treatment -1.642 -1.12 -0.99 -1.864 -1.33 -1.27 -1.194 -0.725565830721003 -0.716660292471427 -1.7173 -0.9752 3068281 PK04_096172 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I15 compound treatment -0.681 -0.159 -0.14 -0.63 -0.097 -0.09 -0.558 -0.089565830721003 -0.088466506720935 -0.1853 -0.9767 3186567 PK04_096173 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I16 compound treatment -1.675 -1.15 -1.02 -2.245 -1.71 -1.63 -1.429 -0.960565830721003 -0.948775920854077 -2.0777 -0.9689 3068410 PK04_096174 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I17 compound treatment -1.61 -1.09 -0.96 -2.458 -1.92 -1.83 -1.447 -0.978565830721003 -0.96655499026211 -2.1719 -0.9505 3186973 PK04_096175 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I18 compound treatment -1.817 -1.29 -1.14 -0.857 -0.324 -0.31 -1.574 -1.105565830721 -1.09199620219656 -1.4694 -0.9117 3068148 PK04_096176 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I19 compound treatment -1.921 -1.4 -1.24 -1.981 -1.45 -1.38 -1.646 -1.177565830721 -1.16311247982869 -2.1818 -0.9975 3068239 PK04_096177 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I20 compound treatment -0.988 -0.466 -0.41 -1.415 -0.882 -0.84 -1.458 -0.989565830721003 -0.977419977122575 -1.287 -0.9512 3068268 PK04_096178 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I21 mock treatment -1.371 -0.849 -0.75 -1.143 -0.61 -0.58 -1.5 -1.031565830721 -1.01890447240798 -1.3569 -0.9745 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I22 mock treatment -1.304 -0.782 -0.69 -1.22 -0.687 -0.65 -0.77 -0.301565830721003 -0.297864435304432 -0.9487 -0.9514 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I23 compound treatment -1.02 -0.498 -0.44 -1.042 -0.509 -0.48 -0.73 -0.261565830721003 -0.25835539217547 -0.6831 -0.9705 3186564 PK04_096179 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 I24 compound treatment -1.745 -1.22 -1.08 -1.329 -0.796 -0.76 -1.484 -1.015565830721 -1.0031008551564 -1.641 -0.9896 3068366 PK04_096180 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J01 compound treatment 1.346 1.87 1.42 1.684 2.22 1.59 1.587 2.055434169279 1.58736877555942 2.6556 0.9986 1230870 PK04_096181 Oc1cccc(c1)C(=O)CCN2CCOCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J02 compound treatment -2.028 -1.51 -1.33 -1.5 -0.967 -0.92 -1.8 -1.331565830721 -1.3152222958752 -2.0597 -0.9875 3187207 PK04_096182 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J03 compound treatment -1.07 -0.548 -0.48 -1.086 -0.553 -0.53 -0.909 -0.440565830721003 -0.435158360177574 -0.8349 -0.997 3068902 PK04_096183 COc1ccc(CC[C@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J04 compound treatment -1.853 -1.33 -1.18 -1.623 -1.09 -1.04 -1.87 -1.401565830721 -1.38436312135088 -2.0779 -0.993 3187208 PK04_096184 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J05 mock treatment -0.971 -0.449 -0.4 -0.548 -0.015 -0.01 -0.522 -0.053565830721003 -0.0529083679048693 -0.2677 -0.6688 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J06 mock treatment -1.836 -1.31 -1.16 -1.571 -1.04 -0.99 -0.9 -0.431565830721003 -0.426268825473558 -1.4875 -0.9392 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J07 compound treatment -0.587 -0.0646 -0.06 -0.351 0.182 0.17 -0.409 0.059434169278997 0.0587046789344477 0.1011 0.527 3187209 PK04_096185 CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c5cccc(O)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J08 compound treatment -1.831 -1.31 -1.16 -1.717 -1.18 -1.13 -1.759 -1.290565830721 -1.27472552666801 -2.0551 -0.9986 3068903 PK04_096186 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J09 compound treatment -0.63 -0.108 -0.1 -0.625 -0.092 -0.09 -0.667 -0.198565830721003 -0.196128649247356 -0.2187 -0.931 1032549 PK04_096187 CCOC(=O)C1CCCCN1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J10 compound treatment -1.689 -1.17 -1.03 -1.407 -0.874 -0.83 -1.468 -0.999565830721003 -0.987297237904815 -1.6462 -0.996 3187210 PK04_096188 COc1cc2CCN(C)C(C=C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J11 compound treatment -0.36 0.162 0.14 -0.302 0.231 0.22 -0.333 0.135434169278997 0.133771860879475 0.2872 0.974 3187211 PK04_096189 CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J12 compound treatment -1.217 -0.695 -0.61 -0.73 -0.197 -0.19 -1.292 -0.823565830721003 -0.813457448137383 -0.9325 -0.8998 3187212 PK04_096190 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4ccc(CN5CCCC5)cc4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J13 compound treatment -0.92 -0.398 -0.35 -1.197 -0.664 -0.63 -0.796 -0.327565830721003 -0.323545313338257 -0.7549 -0.9524 3068904 PK04_096191 [O-][N+](=O)c1cc(Br)ccc1C(=O)NCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J14 compound treatment -0.845 -0.323 -0.29 -0.63 -0.097 -0.09 -0.768 -0.299565830721003 -0.295888983147984 -0.3888 -0.9231 3068905 PK04_096192 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C=C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J15 compound treatment -1.153 -0.631 -0.56 -1.279 -0.746 -0.71 -0.861 -0.392565830721003 -0.38774750842282 -0.956 -0.9726 3187213 PK04_096193 CC(=O)Nc1cc(Br)ccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J16 compound treatment -0.762 -0.24 -0.21 -1.143 -0.61 -0.58 -1.432 -0.963565830721003 -0.951739099088749 -1.0072 -0.8874 3187214 PK04_096194 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5cccs5)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J17 compound treatment -0.985 -0.463 -0.41 -1.047 -0.514 -0.49 -1.0 -0.531565830721003 -0.525041433295962 -0.8219 -0.9948 3068906 PK04_096195 CC(=O)Nc1cc(Br)ccc1C(=O)NCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J18 compound treatment -1.136 -0.614 -0.54 -1.317 -0.784 -0.75 -0.727 -0.258565830721003 -0.255392213940798 -0.8918 -0.9312 3187215 PK04_096196 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5cccs5)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J19 compound treatment -0.5 0.0224 0.02 -0.293 0.24 0.23 -0.48 -0.011565830721003 -0.0114238726194594 0.1369 0.5956 3068907 PK04_096197 Brc1ccc2c(=O)oc(nc2c1)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J20 compound treatment -0.552 -0.0296 -0.03 -0.667 -0.134 -0.13 -0.556 -0.087565830721003 -0.0864910545644869 -0.1387 -0.887 3187216 PK04_096198 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4ccc(CN5CCCC5)cc4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J21 mock treatment -1.048 -0.526 -0.46 -0.815 -0.282 -0.27 -0.553 -0.084565830721003 -0.0835278763298147 -0.4716 -0.8682 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J22 mock treatment -2.02 -1.5 -1.32 -1.755 -1.22 -1.16 -1.417 -0.948565830721003 -0.936923207915389 -1.9774 -0.9905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J23 compound treatment -0.654 -0.132 -0.12 -0.77 -0.237 -0.23 -0.833 -0.364565830721003 -0.360091178232547 -0.4054 -0.92 3068908 PK04_096199 Nc1cc(Br)ccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 J24 compound treatment -0.424 0.0984 0.09 -0.406 0.127 0.12 -0.344 0.124434169278997 0.122906874019011 0.1911 0.989 3068910 PK04_096200 Oc1ccc2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K01 compound treatment -1.194 -0.672 -0.59 -0.961 -0.428 -0.41 -1.286 -0.817565830721003 -0.807531091668039 -1.0444 -0.9652 3068198 PK04_096201 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(Cc6ccccc6)C4=O)c7ccccc7C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K02 compound treatment -2.136 -1.61 -1.43 -2.032 -1.5 -1.43 -1.581 -1.112565830721 -1.09891028474413 -2.2825 -0.9932 3186870 PK04_096202 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K03 compound treatment -1.871 -1.35 -1.19 -1.708 -1.17 -1.12 -1.827 -1.358565830721 -1.34189089998725 -2.1093 -0.9971 3068155 PK04_096203 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K04 compound treatment -1.95 -1.43 -1.26 -1.405 -0.872 -0.83 -1.702 -1.233565830721 -1.21842514020924 -1.9117 -0.9849 3186875 PK04_096204 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K05 compound treatment -1.531 -1.01 -0.89 -1.0 -0.467 -0.44 -0.882 -0.413565830721003 -0.408489756065525 -1.0075 -0.9355 3068359 PK04_096205 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K06 compound treatment -0.655 -0.133 -0.12 -0.191 0.342 0.33 -0.128 0.340434169278997 0.336255706915404 0.3146 0.6518 3186626 PK04_096206 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(F)(F)F)C4=O)c6ccccc6C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K07 mock treatment -0.792 -0.27 -0.24 -0.299 0.234 0.22 -0.472 -0.00356583072100297 -0.00352206399366708 -0.0109 -0.0334 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K08 mock treatment -0.333 0.189 0.17 -1.048 -0.515 -0.49 -0.261 0.207434169278997 0.204888138511606 -0.0682 -0.1224 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K09 compound treatment -1.151 -0.629 -0.56 -1.053 -0.52 -0.5 -1.234 -0.765565830721003 -0.756169335600389 -1.0434 -0.9833 3186869 PK04_096207 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K10 compound treatment -0.494 0.0284 0.03 -0.412 0.121 0.12 -0.432 0.036434169278997 0.0359869791352947 0.1019 0.8256 3068235 PK04_096208 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K11 compound treatment -1.244 -0.722 -0.64 -1.467 -0.934 -0.89 -1.151 -0.682565830721003 -0.674188071107793 -1.2712 -0.9887 3186487 PK04_096209 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(Cc7ccccc7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K12 compound treatment -0.93 -0.408 -0.36 -1.136 -0.603 -0.57 -1.018 -0.549565830721003 -0.542820502703995 -0.8531 -0.9821 3068411 PK04_096210 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K13 compound treatment -0.547 -0.0246 -0.02 -1.326 -0.793 -0.76 -1.8 -1.331565830721 -1.3152222958752 -1.208 -0.7964 3068329 PK04_096211 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K14 compound treatment -0.4 0.122 0.11 -0.337 0.196 0.19 -0.157 0.311434169278997 0.307611650646907 0.3479 0.9258 3067608 PK04_096212 COCCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K15 mock treatment -1.562 -1.04 -0.92 -1.413 -0.88 -0.84 -1.714 -1.245565830721 -1.23027785314793 -1.7249 -0.9859 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K16 mock treatment -0.984 -0.462 -0.41 -0.757 -0.224 -0.21 -0.881 -0.412565830721003 -0.407502029987301 -0.594 -0.9661 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K17 compound treatment -1.574 -1.05 -0.93 -1.014 -0.481 -0.46 -0.556 -0.087565830721003 -0.0864910545644869 -0.8512 -0.8184 3186979 PK04_096213 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K18 compound treatment -0.36 0.162 0.14 0.092 0.625 0.6 -0.405 0.063434169278997 0.0626555832473438 0.4629 0.7518 3186636 PK04_096214 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K19 compound treatment -0.905 -0.383 -0.34 -0.72 -0.187 -0.18 -0.787 -0.318565830721003 -0.314655778634241 -0.4798 -0.969 3186793 PK04_096215 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K20 compound treatment 0.081 0.603 0.53 -0.656 -0.123 -0.12 0.394 0.862434169278997 0.851848719748355 0.7322 0.7236 3186637 PK04_096216 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K21 compound treatment -1.469 -0.947 -0.84 -1.356 -0.823 -0.78 -1.241 -0.772565830721003 -0.763083418147957 -1.3764 -0.9992 3067613 PK04_096217 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N(CC4(CC5CC6CC(C5)C4)C6)[C@@H]3c7ccc(CO)cc27)c8ccc(cc8)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K22 compound treatment -0.848 -0.326 -0.29 -0.754 -0.221 -0.21 -0.531 -0.062565830721003 -0.0617979026088857 -0.3234 -0.8936 3186873 PK04_096218 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K23 mock treatment -1.229 -0.707 -0.62 -1.55 -1.02 -0.97 -1.361 -0.892565830721003 -0.881610547534842 -1.429 -0.9847 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 K24 mock treatment -0.918 -0.396 -0.35 -1.071 -0.538 -0.51 -0.969 -0.500565830721003 -0.494421924871017 -0.7832 -0.9873 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L01 compound treatment -0.875 -0.353 -0.31 -0.701 -0.168 -0.16 -0.819 -0.350565830721003 -0.34626301313741 -0.4722 -0.9587 3068940 PK04_096219 Cc1nc2cc(Br)ccc2c(=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L02 compound treatment -1.308 -0.786 -0.69 -1.269 -0.736 -0.7 -1.086 -0.617565830721003 -0.60998587602323 -1.1579 -0.9981 3187217 PK04_096220 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L03 compound treatment -0.506 0.0164 0.01 -1.17 -0.637 -0.61 -1.397 -0.928565830721003 -0.917168686350908 -0.8715 -0.7924 3068941 PK04_096221 CC(C)c1nc2cc(Br)ccc2c(=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L04 compound treatment -1.186 -0.664 -0.59 -1.013 -0.48 -0.46 -0.931 -0.462565830721003 -0.456888333898503 -0.8665 -0.9926 3068942 PK04_096222 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L05 compound treatment -0.431 0.0914 0.08 -0.722 -0.189 -0.18 -0.385 0.083434169278997 0.0824101048118247 -0.0097 -0.0452 3187218 PK04_096223 Cc1nc2cc(Br)ccc2c(=O)n1Cc3cccc(O)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L06 compound treatment -0.763 -0.241 -0.21 -0.661 -0.128 -0.12 0.003 0.471434169278997 0.465647823162754 0.0757 0.1438 3068943 PK04_096224 COc1cc2CCN(C)C(c3cccs3)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L07 mock treatment -0.681 -0.159 -0.14 0.222 0.755 0.72 -0.052 0.416434169278997 0.411322888860431 0.5718 0.6805 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L08 mock treatment -1.029 -0.507 -0.45 -1.227 -0.694 -0.66 -0.957 -0.488565830721003 -0.482569211932328 -0.9189 -0.9848 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L09 compound treatment -0.044 0.478 0.42 -1.066 -0.533 -0.51 -0.985 -0.516565830721003 -0.510225542122602 -0.3435 -0.4114 3187219 PK04_096225 Oc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)c3ccccc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L10 compound treatment -0.843 -0.321 -0.28 -1.564 -1.03 -0.98 -1.062 -0.593565830721003 -0.586280450145853 -1.0691 -0.9073 3187220 PK04_096226 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L11 compound treatment -0.622 -0.0996 -0.09 -0.915 -0.382 -0.36 -0.663 -0.194565830721003 -0.19217774493446 -0.3718 -0.8837 3068944 PK04_096227 Oc1cccc(Cn2c(nc3cc(Br)ccc3c2=O)c4ccccc4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L12 compound treatment -1.214 -0.692 -0.61 -2.0 -1.47 -1.4 -1.096 -0.627565830721003 -0.619863136805471 -1.5177 -0.9218 3187221 PK04_096228 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L13 compound treatment -0.252 0.27 0.24 0.092 0.625 0.6 0.11 0.578434169278997 0.571334513532727 0.8117 0.9447 1980253 PK04_096229 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2)/C#N)c(=O)n(c3ccccc3)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L14 compound treatment -1.747 -1.22 -1.08 -1.5 -0.967 -0.92 -1.912 -1.443565830721 -1.42584761663629 -1.9801 -0.9835 3068945 PK04_096230 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L15 mock treatment -1.111 -0.589 -0.52 -1.079 -0.546 -0.52 -1.274 -0.805565830721003 -0.79567837872935 -1.0601 -0.9782 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L16 mock treatment -2.109 -1.59 -1.4 -1.761 -1.23 -1.17 -1.397 -0.928565830721003 -0.917168686350908 -2.0148 -0.9858 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L17 compound treatment -0.532 -0.00955 -0.01 -0.571 -0.038 -0.04 -0.507 -0.038565830721003 -0.0380924767315087 -0.0477 -0.8975 3187222 PK04_096231 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L18 compound treatment -1.592 -1.07 -0.95 -1.613 -1.08 -1.03 -0.467 0.00143416927899698 0.00141656639745309 -1.1391 -0.8152 3187223 PK04_096232 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6cccs6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L19 compound treatment 0.028 0.55 0.49 -0.787 -0.254 -0.24 -0.186 0.282434169278997 0.27896759437841 0.3024 0.4949 3068946 PK04_096233 Cc1c(NC(=O)/C(=C/C=C/c2ccc(cc2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L20 compound treatment -0.695 -0.173 -0.15 -1.464 -0.931 -0.89 -1.442 -0.973565830721003 -0.96161635987099 -1.1553 -0.8772 3187224 PK04_096234 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L21 compound treatment 1.113 1.64 1.37 0.123 0.656 0.62 0.045 0.513434169278997 0.507132318448164 1.4456 0.909 3068947 PK04_096235 CN(C)c1ccc(/C=C/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L22 compound treatment -0.824 -0.302 -0.27 -1.107 -0.574 -0.55 -0.797 -0.328565830721003 -0.324533039416481 -0.657 -0.9529 3187225 PK04_096236 COc1cc2CCN(C)C(C3CC3)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L23 mock treatment 0.863 1.39 1.22 -0.839 -0.306 -0.29 -0.614 -0.145565830721003 -0.143779167101481 0.4559 0.3597 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 L24 mock treatment -1.425 -0.903 -0.8 -2.031 -1.5 -1.43 -1.338 -0.869565830721003 -0.858892847735689 -1.7805 -0.9641 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M01 compound treatment -3.123 -2.6 -2.3 -1.909 -1.38 -1.31 -1.361 -0.892565830721003 -0.881610547534842 -2.5932 -0.9296 3186502 PK04_096237 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M02 compound treatment -1.256 -0.734 -0.65 -1.25 -0.717 -0.68 -0.575 -0.106565830721003 -0.105257850050744 -0.8295 -0.8753 3186497 PK04_096238 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC(C)C)c5ccccc5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M03 compound treatment -1.671 -1.15 -1.02 -1.026 -0.493 -0.47 -1.0 -0.531565830721003 -0.525041433295962 -1.1605 -0.9391 3068404 PK04_096239 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M04 compound treatment -1.437 -0.915 -0.81 -1.863 -1.33 -1.27 -0.966 -0.497565830721003 -0.491458746636345 -1.4821 -0.9372 3186643 PK04_096240 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M05 compound treatment -2.195 -1.67 -1.48 -1.937 -1.4 -1.34 -1.82 -1.351565830721 -1.33497681743968 -2.3967 -0.9988 3186723 PK04_096241 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M06 compound treatment -1.677 -1.15 -1.02 -0.917 -0.384 -0.37 -1.551 -1.082565830721 -1.06927850239741 -1.4179 -0.9311 3186868 PK04_096242 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M07 compound treatment -2.338 -1.82 -1.61 -2.13 -1.6 -1.52 -1.778 -1.309565830721 -1.29349232215427 -2.5519 -0.996 3186798 PK04_096243 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M08 compound treatment -1.704 -1.18 -1.04 -2.0 -1.47 -1.4 -1.592 -1.123565830721 -1.1097752716046 -2.0507 -0.9917 3186799 PK04_096244 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M09 mock treatment -1.703 -1.18 -1.04 -1.758 -1.22 -1.17 -1.508 -1.039565830721 -1.02680628103378 -1.8692 -0.9983 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M10 mock treatment -1.439 -0.917 -0.81 -1.17 -0.637 -0.61 -1.161 -0.692565830721003 -0.684065331890033 -1.2131 -0.9929 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M11 compound treatment -1.698 -1.18 -1.04 -1.682 -1.15 -1.09 -1.212 -0.743565830721003 -0.73443936187946 -1.656 -0.9866 3186496 PK04_096245 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M12 compound treatment -1.937 -1.41 -1.25 -0.727 -0.194 -0.18 -1.523 -1.054565830721 -1.04162217220714 -1.4301 -0.8731 3068379 PK04_096246 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M13 mock treatment -2.227 -1.7 -1.51 -1.296 -0.763 -0.73 -1.149 -0.680565830721003 -0.672212618951345 -1.6778 -0.9305 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M14 mock treatment -1.316 -0.794 -0.7 -1.212 -0.679 -0.65 -0.707 -0.238565830721003 -0.235637692376317 -0.9145 -0.9304 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M15 compound treatment -0.675 -0.153 -0.13 -0.643 -0.11 -0.1 -0.527 -0.058565830721003 -0.0578469982959896 -0.1717 -0.9525 3186488 PK04_096247 CC(C)N1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M16 compound treatment -2.034 -1.51 -1.34 -2.019 -1.49 -1.42 -1.229 -0.760565830721003 -0.751230705209268 -2.0226 -0.9693 3186886 PK04_096248 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M17 compound treatment -2.218 -1.7 -1.5 -1.566 -1.03 -0.98 -1.4 -0.931565830721003 -0.92013186458558 -1.9648 -0.9749 3068154 PK04_096249 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M18 compound treatment -2.111 -1.59 -1.4 -1.121 -0.588 -0.56 -1.96 -1.491565830721 -1.47325846839104 -1.9848 -0.9402 3068369 PK04_096250 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M19 compound treatment -2.421 -1.9 -1.68 -2.0 -1.47 -1.4 -1.837 -1.368565830721 -1.35176816076949 -2.5564 -0.9952 3186727 PK04_096251 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M20 compound treatment -1.562 -1.04 -0.92 -1.213 -0.68 -0.65 -1.021 -0.552565830721003 -0.545783680938667 -1.2197 -0.9759 3186984 PK04_096252 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M21 compound treatment -2.52 -2.0 -1.77 -2.298 -1.76 -1.68 -1.672 -1.203565830721 -1.18879335786252 -2.6767 -0.9867 3068372 PK04_096253 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M22 compound treatment -2.462 -1.94 -1.71 -2.229 -1.7 -1.62 -2.413 -1.944565830721 -1.92069838182654 -3.0317 -0.9974 3186721 PK04_096254 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M23 compound treatment -2.048 -1.53 -1.35 -2.036 -1.5 -1.43 -1.365 -0.896565830721003 -0.885561451847738 -2.1166 -0.9812 3068316 PK04_096255 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 M24 compound treatment -1.755 -1.23 -1.09 -0.959 -0.426 -0.41 -1.477 -1.008565830721 -0.996186772608831 -1.4386 -0.9395 3068283 PK04_096256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N01 compound treatment -0.671 -0.149 -0.13 -0.949 -0.416 -0.4 -0.768 -0.299565830721003 -0.295888983147984 -0.4754 -0.9292 1694663 PK04_096257 Cc1c(NC(=O)CC#N)c(=O)n(c2ccccc2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N02 compound treatment -2.27 -1.75 -1.55 -1.713 -1.18 -1.12 -2.082 -1.613565830721 -1.59376104993438 -2.4612 -0.9892 3187226 PK04_096258 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C)C=C(CCCO)C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N03 compound treatment -1.32 -0.798 -0.71 -1.403 -0.87 -0.83 -1.189 -0.720565830721003 -0.711721662080307 -1.2965 -0.9971 3068949 PK04_096259 Cc1ccccc1/C=C/C=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N04 compound treatment -1.343 -0.821 -0.73 -1.368 -0.835 -0.8 -1.491 -1.022565830721 -1.01001493770397 -1.4612 -0.9899 3187227 PK04_096260 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2ccc(CN3CCCC3)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N05 compound treatment -0.573 -0.0506 -0.04 -0.75 -0.217 -0.21 -0.6 -0.131565830721003 -0.129951002006345 -0.2202 -0.887 3068950 PK04_096261 CCOc1ccc(cc1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N06 compound treatment -0.097 0.425 0.38 1.134 1.67 1.49 0.549 1.017434169279 1.00494626187308 1.659 0.9026 3187228 PK04_096262 Oc1ccc2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N07 compound treatment -0.987 -0.465 -0.41 -0.887 -0.354 -0.34 -0.18 0.288434169278997 0.284893950847754 -0.2673 -0.4434 3068951 PK04_096263 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N08 compound treatment -1.683 -1.16 -1.03 -1.5 -0.967 -0.92 -1.407 -0.938565830721003 -0.927045947133148 -1.6595 -0.9987 3187299 PK04_096264 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4cccs4)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N09 mock treatment -1.116 -0.594 -0.52 -0.869 -0.336 -0.32 -1.058 -0.589565830721003 -0.582329545832957 -0.824 -0.9731 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N10 mock treatment -1.051 -0.529 -0.47 -1.392 -0.859 -0.82 -1.258 -0.789565830721003 -0.779874761477766 -1.1925 -0.9749 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N11 compound treatment -0.338 0.184 0.16 -0.654 -0.121 -0.12 -0.873 -0.404565830721003 -0.399600221361509 -0.2031 -0.4546 3068985 PK04_096265 Cc1cc(C)cc(c1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N12 compound treatment -0.986 -0.464 -0.41 -1.143 -0.61 -0.58 -1.203 -0.734565830721003 -0.725549827175443 -0.991 -0.9755 3187300 PK04_096266 COc1cc2CCN(C)C(c3ccc(CN4CCCC4)cc3)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N13 mock treatment -1.4 -0.878 -0.78 -1.25 -0.717 -0.68 -1.065 -0.596565830721003 -0.589243628380525 -1.1825 -0.9938 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N14 mock treatment -1.714 -1.19 -1.05 -1.247 -0.714 -0.68 -1.297 -0.828565830721003 -0.818396078528503 -1.4734 -0.984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N15 compound treatment -0.559 -0.0366 -0.03 -0.387 0.146 0.14 -0.587 -0.118565830721003 -0.117110562989432 -0.0059 -0.0322 3068986 PK04_096267 COc1ccc(/C=C/C=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N16 compound treatment -1.718 -1.2 -1.06 -1.803 -1.27 -1.21 -1.934 -1.465565830721 -1.44757759035722 -2.1445 -0.9917 3187301 PK04_096268 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N17 compound treatment -1.315 -0.793 -0.7 -1.279 -0.746 -0.71 -1.025 -0.556565830721003 -0.549734585251563 -1.1322 -0.9937 3068987 PK04_096269 Cc1cccc(/C=C/C=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N18 compound treatment -1.36 -0.838 -0.74 -1.409 -0.876 -0.83 -1.426 -0.957565830721003 -0.945812742619405 -1.4554 -0.995 3068988 PK04_096270 OCCCc1cc[n+](Cc2sc3ccccc3c2Cl)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N19 compound treatment -1.233 -0.711 -0.63 -0.957 -0.424 -0.4 -0.292 0.176434169278997 0.174268630086661 -0.4953 -0.6458 3068989 PK04_096271 Cc1ccc(/C=C/C=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N20 compound treatment -1.667 -1.14 -1.01 -1.567 -1.03 -0.98 -1.092 -0.623565830721003 -0.615912232492574 -1.5085 -0.9792 3187302 PK04_096272 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N21 compound treatment -0.831 -0.309 -0.27 -0.806 -0.273 -0.26 -0.418 0.050434169278997 0.0498151442304313 -0.2789 -0.7336 3068990 PK04_096273 COc1cccc(/C=C/C=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N22 compound treatment -0.917 -0.395 -0.35 -0.714 -0.181 -0.17 -0.905 -0.436565830721003 -0.431207455864678 -0.5499 -0.9468 3068991 PK04_096274 Oc1ccc2cc[n+](Cc3cc4OCOc4cc3Br)cc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N23 compound treatment -0.881 -0.359 -0.32 -0.973 -0.44 -0.42 -1.18 -0.711565830721003 -0.70283212737629 -0.8308 -0.9467 3187303 PK04_096275 Clc1ccccc1/C=C/C=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 N24 compound treatment -0.895 -0.373 -0.33 -1.167 -0.634 -0.6 -1.288 -0.819565830721003 -0.809506543824487 -1.0062 -0.9472 3187304 PK04_096276 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)C5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O01 compound treatment -0.327 0.195 0.17 -1.307 -0.774 -0.74 -1.481 -1.012565830721 -1.00013767692173 -0.9034 -0.7201 3186631 PK04_096277 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O02 compound treatment -1.64 -1.12 -0.99 -1.663 -1.13 -1.08 -1.457 -0.988565830721003 -0.976432251044351 -1.7557 -0.999 3067615 PK04_096278 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O03 compound treatment -1.824 -1.3 -1.15 -1.676 -1.14 -1.09 -1.776 -1.307565830721 -1.29151686999782 -2.0387 -0.9974 3186715 PK04_096279 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O04 compound treatment -2.279 -1.76 -1.55 -1.593 -1.06 -1.01 -2.169 -1.700565830721 -1.67969321873987 -2.4494 -0.9795 3068363 PK04_096280 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O05 compound treatment -1.848 -1.33 -1.17 -1.147 -0.614 -0.58 -0.895 -0.426565830721003 -0.421330195082438 -1.2575 -0.914 3068310 PK04_096281 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O06 compound treatment -0.24 0.282 0.25 -0.141 0.392 0.37 -0.18 0.288434169278997 0.284893950847754 0.5243 0.9855 3068196 PK04_096282 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCN6CCOCC6)C4=O)c7ccccc7C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O07 compound treatment -0.643 -0.121 -0.11 -0.542 -0.00895 -0.01 0.359 0.827434169278997 0.817278307010514 0.4054 0.4918 3068277 PK04_096283 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O08 compound treatment -0.763 -0.241 -0.21 -2.043 -1.51 -1.44 -0.598 -0.129565830721003 -0.127975549849897 -1.0272 -0.7037 3186720 PK04_096284 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O09 compound treatment -1.173 -0.651 -0.58 -1.077 -0.544 -0.52 -1.013 -0.544565830721003 -0.537881872312875 -0.9418 -0.9991 3186632 PK04_096285 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O10 compound treatment -0.437 0.0854 0.08 -0.5 0.033 0.03 -0.188 0.280434169278997 0.276992142221961 0.2217 0.7676 3068157 PK04_096286 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(C5CCCCC5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O11 mock treatment -1.2 -0.678 -0.6 -1.483 -0.95 -0.9 -1.232 -0.763565830721003 -0.754193883443941 -1.3038 -0.9865 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O12 mock treatment -0.798 -0.276 -0.24 -0.912 -0.379 -0.36 -0.696 -0.227565830721003 -0.224772705515853 -0.4789 -0.977 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O13 compound treatment -0.782 -0.26 -0.23 -1.357 -0.824 -0.78 -1.854 -1.385565830721 -1.3685595040993 -1.3758 -0.863 3186874 PK04_096287 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O14 compound treatment -0.872 -0.35 -0.31 -0.736 -0.203 -0.19 -0.747 -0.278565830721003 -0.275146735505279 -0.4489 -0.9829 3068138 PK04_096288 COCCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O15 compound treatment -1.877 -1.35 -1.2 -1.59 -1.06 -1.01 -1.776 -1.307565830721 -1.29151686999782 -2.0184 -0.9949 3186972 PK04_096289 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O16 compound treatment -1.3 -0.778 -0.69 -1.089 -0.556 -0.53 -1.466 -0.997565830721003 -0.985321785748367 -1.2715 -0.9684 3186981 PK04_096290 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O17 compound treatment -0.917 -0.395 -0.35 -0.623 -0.09 -0.09 -0.407 0.061434169278997 0.0606801310908958 -0.2158 -0.5925 3186709 PK04_096291 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O18 compound treatment -1.66 -1.14 -1.01 -1.703 -1.17 -1.11 -1.031 -0.562565830721003 -0.555660941720908 -1.5449 -0.9651 3186725 PK04_096292 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O19 compound treatment -0.895 -0.373 -0.33 -0.524 0.00905 0.01 -0.722 -0.253565830721003 -0.250453583549678 -0.3298 -0.7968 3068321 PK04_096293 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O20 compound treatment -0.288 0.234 0.21 -0.134 0.399 0.38 -0.13 0.338434169278997 0.334280254758956 0.5321 0.9728 3068192 PK04_096294 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O21 compound treatment -0.961 -0.439 -0.39 -1.695 -1.16 -1.11 -1.403 -0.934565830721003 -0.923095042820252 -1.3959 -0.9352 3068201 PK04_096295 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O22 compound treatment -0.941 -0.419 -0.37 -0.899 -0.366 -0.35 -0.616 -0.147565830721003 -0.145754619257929 -0.4991 -0.9436 3068381 PK04_096296 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O23 compound treatment -1.588 -1.07 -0.94 -1.544 -1.01 -0.96 -1.429 -0.960565830721003 -0.948775920854077 -1.6477 -1.0 3186880 PK04_096297 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCc6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 O24 compound treatment -1.386 -0.864 -0.76 -1.167 -0.634 -0.6 -1.085 -0.616565830721003 -0.608998149945006 -1.1411 -0.9937 3186977 PK04_096298 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P01 compound treatment -0.695 -0.173 -0.15 -0.733 -0.2 -0.19 -0.56 -0.0915658307210031 -0.090441958877383 -0.2503 -0.9616 3068992 PK04_096299 Cc1c(NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P02 compound treatment -1.284 -0.762 -0.67 -1.114 -0.581 -0.55 -1.523 -1.054565830721 -1.04162217220714 -1.3096 -0.9643 3187305 PK04_096300 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)C2CC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P03 compound treatment -1.114 -0.592 -0.52 -0.878 -0.345 -0.33 -1.286 -0.817565830721003 -0.807531091668039 -0.9579 -0.9422 3187306 PK04_096301 COc1cccc(/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P04 compound treatment 0.193 0.715 0.63 -0.103 0.43 0.41 0.322 0.790434169278997 0.780732442116224 1.0525 0.9699 3068993 PK04_096302 COc1cc2CC[N+](=Cc2cc1O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P05 compound treatment -1.01 -0.488 -0.43 -1.118 -0.585 -0.56 -1.113 -0.644565830721003 -0.636654480135279 -0.9382 -0.988 3068994 PK04_096303 Cc1c(NC(=O)/C(=C/c2ccccc2Cl)/C#N)c(=O)n(c3ccccc3)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P06 compound treatment -0.55 -0.0276 -0.02 -0.902 -0.369 -0.35 -0.707 -0.238565830721003 -0.235637692376317 -0.353 -0.8329 3187307 PK04_096304 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4cccs4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P07 compound treatment -0.937 -0.415 -0.37 -1.337 -0.804 -0.77 -0.72 -0.251565830721003 -0.24847813139323 -0.7972 -0.9012 3187308 PK04_096305 Cc1c(NC(=O)/C(=C/c2ccc(Cl)cc2)/C#N)c(=O)n(c3ccccc3)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P08 compound treatment 0.504 1.03 0.91 -1.176 -0.643 -0.61 -1.198 -0.729565830721003 -0.720611196784323 -0.2457 -0.1875 3068995 PK04_096306 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P09 compound treatment -0.971 -0.449 -0.4 -1.197 -0.664 -0.63 -1.243 -0.774565830721003 -0.765058870304405 -1.0358 -0.969 1972122 PK04_096307 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P10 compound treatment -0.767 -0.245 -0.22 -1.283 -0.75 -0.71 -1.159 -0.690565830721003 -0.682089879733585 -0.9311 -0.9209 3187309 PK04_096308 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P11 mock treatment -0.455 0.0674 0.06 -0.551 -0.018 -0.02 -0.672 -0.203565830721003 -0.201067279638476 -0.0915 -0.435 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P12 mock treatment -1.25 -0.728 -0.64 -1.846 -1.31 -1.25 -0.853 -0.384565830721003 -0.379845699797028 -1.3128 -0.9011 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P13 compound treatment -0.704 -0.182 -0.16 -0.336 0.197 0.19 -0.664 -0.195565830721003 -0.193165471012684 -0.0958 -0.3056 3068996 PK04_096309 Clc1ccc(/C=C/C=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P14 compound treatment 0.204 0.726 0.64 -0.977 -0.444 -0.42 -0.308 0.160434169278997 0.158465012835076 0.2181 0.2778 3187310 PK04_096310 COc1cc2CC[N+](=Cc2cc1O)Cc3cccc(OC(F)(F)F)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P15 compound treatment -0.01 0.512 0.45 -0.353 0.18 0.17 -0.023 0.445434169278997 0.439966945128929 0.6146 0.9392 3068997 PK04_096311 O=C/C=C/c1ccc2OCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P16 compound treatment -1.333 -0.811 -0.72 -2.074 -1.54 -1.47 -1.384 -0.915565830721003 -0.904328247333995 -1.7834 -0.9551 3187311 PK04_096312 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3ccc(CN4CCCC4)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P17 compound treatment -0.024 0.498 0.44 -0.833 -0.3 -0.29 -0.693 -0.224565830721003 -0.221809527281181 -0.0386 -0.0677 3068998 PK04_096313 O=C/C=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P18 compound treatment -1.155 -0.633 -0.56 -1.441 -0.908 -0.86 -0.937 -0.468565830721003 -0.462814690367848 -1.0895 -0.9648 3187312 PK04_096314 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P19 compound treatment -0.266 0.256 0.23 -0.511 0.022 0.02 -0.469 -5.65830721002969E-4 -5.58885758994946E-4 0.1427 0.6267 3187313 PK04_096315 O=C/C=C/c1ccc(\C=C\c2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P20 compound treatment 0.427 0.949 0.84 -1.011 -0.478 -0.46 2.169 2.637434169279 1.6791394692024 1.1912 0.6167 3187314 PK04_096316 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4cccs4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P21 compound treatment -0.179 0.343 0.3 -0.974 -0.441 -0.42 -0.317 0.151434169278997 0.14957547813106 0.0191 0.0355 3069028 PK04_096317 [O-][N+](=O)c1cccc(c1)C2N(C(=O)CS2(=O)=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P22 compound treatment -0.859 -0.337 -0.3 -1.741 -1.21 -1.15 -1.535 -1.066565830721 -1.05347488514583 -1.4444 -0.9094 3187315 PK04_096318 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P23 compound treatment -0.731 -0.209 -0.18 -1.095 -0.562 -0.54 -0.953 -0.484565830721003 -0.478618307619432 -0.6919 -0.9332 3069029 PK04_096319 CCOc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2096 P24 compound treatment -0.958 -0.436 -0.39 -1.704 -1.17 -1.12 -0.987 -0.518565830721003 -0.51220099427905 -1.1621 -0.9033 3187316 PK04_096320 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A01 compound treatment -2.62 -2.1 -1.85 -1.486 -0.953 -0.91 -1.896 -1.427565830721 -1.41004399938471 -2.4089 -0.9635 2141518 PK04_097001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A02 compound treatment -0.962 -0.44 -0.39 -0.817 -0.284 -0.27 -0.3 0.168434169278997 0.166366821460868 -0.2845 -0.5669 2141905 PK04_097002 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A03 compound treatment -1.106 -0.584 -0.52 -0.831 -0.298 -0.28 -0.895 -0.426565830721003 -0.421330195082438 -0.705 -0.9737 2141091 PK04_097003 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A04 compound treatment -2.017 -1.49 -1.32 -2.189 -1.66 -1.58 -1.486 -1.017565830721 -1.00507630731285 -2.254 -0.9842 2141692 PK04_097004 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A05 compound treatment -1.941 -1.42 -1.25 -1.527 -0.994 -0.95 -1.172 -0.703565830721003 -0.694930318750498 -1.672 -0.9731 2141533 PK04_097005 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A06 compound treatment -1.569 -1.05 -0.93 -0.494 0.039 0.04 -1.449 -0.980565830721003 -0.968530442418558 -1.0719 -0.7999 2141714 PK04_097006 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A07 compound treatment -1.316 -0.794 -0.7 -1.133 -0.6 -0.57 -1.023 -0.554565830721003 -0.547759133095115 -1.0513 -0.9939 2141463 PK04_097007 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A08 compound treatment -1.51 -0.988 -0.87 -1.451 -0.918 -0.87 -1.191 -0.722565830721003 -0.713697114236755 -1.421 -0.9958 2141076 PK04_097008 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A09 compound treatment -1.536 -1.01 -0.9 -1.387 -0.854 -0.81 -1.257 -0.788565830721003 -0.778887035399542 -1.4367 -0.9982 2141109 PK04_097009 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A10 compound treatment -1.15 -0.628 -0.55 -1.281 -0.748 -0.71 -1.03 -0.561565830721003 -0.554673215642684 -1.052 -0.9926 2141546 PK04_097010 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A11 compound treatment -1.302 -0.78 -0.69 -1.308 -0.775 -0.74 -1.018 -0.549565830721003 -0.542820502703995 -1.1375 -0.9921 2141079 PK04_097011 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A12 compound treatment -1.72 -1.2 -1.06 -1.364 -0.831 -0.79 -1.329 -0.860565830721003 -0.850003313031673 -1.5591 -0.992 2141141 PK04_097012 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A13 mock treatment -1.13 -0.608 -0.54 -0.797 -0.264 -0.25 -0.703 -0.234565830721003 -0.231686788063421 -0.5891 -0.9251 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A14 mock treatment -0.549 -0.0266 -0.02 -0.746 -0.213 -0.2 -0.675 -0.206565830721003 -0.204030457873148 -0.2485 -0.8607 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A15 compound treatment -1.306 -0.784 -0.69 -1.037 -0.504 -0.48 -1.105 -0.636565830721003 -0.628752671509487 -1.0401 -0.9892 2141882 PK04_097013 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A16 compound treatment -1.426 -0.904 -0.8 -1.421 -0.888 -0.85 -1.056 -0.587565830721003 -0.580354093676509 -1.2847 -0.9881 2141936 PK04_097014 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A17 compound treatment -1.022 -0.5 -0.44 -1.734 -1.2 -1.14 -1.708 -1.239565830721 -1.22435149667859 -1.6224 -0.9362 2141372 PK04_097015 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A18 compound treatment -1.814 -1.29 -1.14 -0.753 -0.22 -0.21 -1.6 -1.131565830721 -1.11767708023039 -1.4255 -0.8846 2141092 PK04_097016 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A19 compound treatment -1.763 -1.24 -1.1 -1.385 -0.852 -0.81 -1.233 -0.764565830721003 -0.755181609522165 -1.5378 -0.9861 2141344 PK04_097017 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A20 compound treatment -0.857 -0.335 -0.3 -1.0 -0.467 -0.44 -1.204 -0.735565830721003 -0.726537553253667 -0.8471 -0.9393 2141115 PK04_097018 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A21 compound treatment -1.492 -0.97 -0.86 -1.17 -0.637 -0.61 -1.358 -0.889565830721003 -0.87864736930017 -1.3525 -0.9877 2141570 PK04_097019 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A22 compound treatment -1.045 -0.523 -0.46 -1.159 -0.626 -0.6 -0.823 -0.354565830721003 -0.350213917450307 -0.8132 -0.9778 2141549 PK04_097020 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A23 compound treatment -0.667 -0.145 -0.13 -0.878 -0.345 -0.33 -0.863 -0.394565830721003 -0.389722960579268 -0.4885 -0.9295 2141876 PK04_097021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 A24 compound treatment -0.731 -0.209 -0.18 -1.091 -0.558 -0.53 -0.588 -0.119565830721003 -0.118098289067656 -0.4815 -0.8376 2141753 PK04_097022 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B01 compound treatment -1.776 -1.25 -1.11 -1.342 -0.809 -0.77 -1.466 -0.997565830721003 -0.985321785748367 -1.6537 -0.9895 2141940 PK04_097023 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B02 compound treatment -1.479 -0.957 -0.85 -1.293 -0.76 -0.72 -1.31 -0.841565830721003 -0.831236517545416 -1.3862 -0.9977 2142685 PK04_097024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B03 compound treatment -1.191 -0.669 -0.59 -0.656 -0.123 -0.12 -1.085 -0.616565830721003 -0.608998149945006 -0.7605 -0.8877 2141335 PK04_097025 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B04 compound treatment -1.26 -0.738 -0.65 -1.573 -1.04 -0.99 -1.767 -1.298565830721 -1.2826273352938 -1.689 -0.9668 2143933 PK04_097026 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B05 compound treatment -1.869 -1.35 -1.19 -1.432 -0.899 -0.86 -1.0 -0.531565830721003 -0.525041433295962 -1.4849 -0.9533 2141445 PK04_097027 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B06 compound treatment -1.22 -0.698 -0.62 -1.158 -0.625 -0.6 -1.186 -0.717565830721003 -0.708758483845634 -1.109 -0.9971 2144925 PK04_097028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B07 compound treatment -1.593 -1.07 -0.95 -1.187 -0.654 -0.62 -1.377 -0.908565830721003 -0.897414164786427 -1.4243 -0.9853 2141881 PK04_097029 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B08 compound treatment -1.25 -0.728 -0.64 -1.2 -0.667 -0.64 -0.731 -0.262565830721003 -0.259343118253694 -0.8879 -0.944 2144289 PK04_097030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B09 compound treatment -0.929 -0.407 -0.36 -1.354 -0.821 -0.78 -0.34 0.128434169278997 0.126857778331907 -0.5858 -0.6733 2141150 PK04_097031 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B10 compound treatment -1.091 -0.569 -0.5 -0.982 -0.449 -0.43 -1.172 -0.703565830721003 -0.694930318750498 -0.9384 -0.9791 2144633 PK04_097032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B11 compound treatment -1.25 -0.728 -0.64 -1.197 -0.664 -0.63 -1.54 -1.071565830721 -1.05841351553695 -1.3476 -0.969 2141161 PK04_097033 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B12 compound treatment -1.059 -0.537 -0.47 -1.284 -0.751 -0.72 -1.28 -0.811565830721003 -0.801604735198695 -1.1497 -0.9789 2144765 PK04_097034 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B13 mock treatment -1.153 -0.631 -0.56 -0.952 -0.419 -0.4 -0.839 -0.370565830721003 -0.366017534701891 -0.7636 -0.9825 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B14 mock treatment -1.132 -0.61 -0.54 -1.111 -0.578 -0.55 -1.0 -0.531565830721003 -0.525041433295962 -0.9322 -0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B15 compound treatment -1.268 -0.746 -0.66 -1.134 -0.601 -0.57 -0.964 -0.495565830721003 -0.489483294479897 -0.9937 -0.9928 2141135 PK04_097035 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B16 compound treatment -0.973 -0.451 -0.4 -1.036 -0.503 -0.48 -1.015 -0.546565830721003 -0.539857324469323 -0.8183 -0.9926 2144753 PK04_097036 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B17 compound treatment -1.233 -0.711 -0.63 -1.198 -0.665 -0.63 -1.051 -0.582565830721003 -0.575415463285389 -1.0606 -0.9991 2141225 PK04_097037 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B18 compound treatment -1.453 -0.931 -0.82 -1.769 -1.24 -1.18 -1.114 -0.645565830721003 -0.637642206213503 -1.5229 -0.9691 2144045 PK04_097038 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B19 compound treatment -0.667 -0.145 -0.13 -1.079 -0.546 -0.52 -0.538 -0.069565830721003 -0.068711985156454 -0.4137 -0.7662 2141420 PK04_097039 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B20 compound treatment -1.258 -0.736 -0.65 -1.305 -0.772 -0.74 -1.407 -0.938565830721003 -0.927045947133148 -1.3353 -0.9889 2144377 PK04_097040 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B21 compound treatment -0.769 -0.247 -0.22 -0.587 -0.054 -0.05 -0.415 0.053434169278997 0.0527783224651034 -0.1251 -0.5435 2141808 PK04_097041 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B22 compound treatment -1.423 -0.901 -0.8 -1.39 -0.857 -0.82 -1.382 -0.913565830721003 -0.902352795177547 -1.452 -0.9985 2143265 PK04_097042 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B23 compound treatment -1.076 -0.554 -0.49 -0.947 -0.414 -0.39 -1.015 -0.546565830721003 -0.539857324469323 -0.8219 -0.992 2141931 PK04_097043 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 B24 compound treatment -0.5 0.0224 0.02 -0.944 -0.411 -0.39 -0.851 -0.382565830721003 -0.37787024764058 -0.4327 -0.7948 2142705 PK04_097044 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C01 compound treatment -0.596 -0.0736 -0.07 -0.958 -0.425 -0.4 -0.987 -0.518565830721003 -0.51220099427905 -0.567 -0.8642 2141223 PK04_097045 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C02 compound treatment -1.167 -0.645 -0.57 -0.968 -0.435 -0.41 -1.148 -0.679565830721003 -0.671224892873121 -0.9558 -0.9822 2141108 PK04_097046 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C03 compound treatment -0.863 -0.341 -0.3 -0.709 -0.176 -0.17 -0.972 -0.503565830721003 -0.497385103105689 -0.5578 -0.9218 2141329 PK04_097047 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C04 compound treatment -1.525 -1.0 -0.89 -1.256 -0.723 -0.69 -1.518 -1.049565830721 -1.03668354181602 -1.5079 -0.9869 2141703 PK04_097048 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C05 compound treatment -1.24 -0.718 -0.63 -0.901 -0.368 -0.35 -0.638 -0.169565830721003 -0.167484592978858 -0.6653 -0.8944 2065845 PK04_097049 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C06 compound treatment -1.226 -0.704 -0.62 -1.433 -0.9 -0.86 -0.986 -0.517565830721003 -0.511213268200826 -1.1493 -0.9772 2141782 PK04_097050 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C07 compound treatment -0.15 0.372 0.33 -0.53 0.00305 0.0 -0.495 -0.026565830721003 -0.0262397637928201 0.1766 0.5347 2141574 PK04_097051 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C08 compound treatment 1.904 2.43 1.5 2.364 2.9 1.68 0.06 0.528434169278997 0.521948209621524 2.1392 0.9244 2141856 PK04_097052 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C09 compound treatment -0.785 -0.263 -0.23 -1.171 -0.638 -0.61 -0.824 -0.355565830721003 -0.351201643528531 -0.6877 -0.9301 2141751 PK04_097053 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C10 compound treatment -1.022 -0.5 -0.44 -1.108 -0.575 -0.55 -0.889 -0.420565830721003 -0.415403838613093 -0.8111 -0.9926 2141441 PK04_097054 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C11 mock treatment -0.798 -0.276 -0.24 -0.909 -0.376 -0.36 -0.816 -0.347565830721003 -0.343299834902738 -0.5456 -0.9872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C12 mock treatment -0.991 -0.469 -0.41 -1.068 -0.535 -0.51 -0.808 -0.339565830721003 -0.335398026276946 -0.727 -0.9859 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C13 compound treatment -0.724 -0.202 -0.18 -1.067 -0.534 -0.51 -0.905 -0.436565830721003 -0.431207455864678 -0.6455 -0.9352 2141937 PK04_097055 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C14 compound treatment -1.147 -0.625 -0.55 -0.937 -0.404 -0.38 -1.267 -0.798565830721003 -0.788764296181782 -0.9964 -0.9609 2141727 PK04_097056 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C15 mock treatment -1.028 -0.506 -0.45 -0.787 -0.254 -0.24 -0.959 -0.490565830721003 -0.484544664088777 -0.6775 -0.9648 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C16 mock treatment -0.524 -0.00155 0.0 -0.671 -0.138 -0.13 -0.564 -0.0955658307210029 -0.0943928631902791 -0.1312 -0.8106 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C17 compound treatment -1.208 -0.686 -0.61 -0.792 -0.259 -0.25 -0.778 -0.309565830721003 -0.305766243930225 -0.6689 -0.9261 2141078 PK04_097057 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C18 compound treatment -0.779 -0.257 -0.23 -1.192 -0.659 -0.63 -0.376 0.092434169278997 0.0912996395158411 -0.4407 -0.6541 2141467 PK04_097058 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C19 compound treatment -0.375 0.147 0.13 -0.416 0.117 0.11 -0.165 0.303434169278997 0.299709842021114 0.3127 0.9054 2141339 PK04_097059 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C20 compound treatment -0.337 0.185 0.16 -1.386 -0.853 -0.81 -0.196 0.272434169278997 0.269090333596169 -0.2191 -0.2514 2141364 PK04_097060 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C21 compound treatment -1.161 -0.639 -0.56 -1.487 -0.954 -0.91 -0.944 -0.475565830721003 -0.469728772915416 -1.1218 -0.9601 2141370 PK04_097061 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C22 compound treatment -0.987 -0.465 -0.41 -0.918 -0.385 -0.37 -1.024 -0.555565830721003 -0.548746859173339 -0.7657 -0.985 2141489 PK04_097062 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C23 compound treatment -0.929 -0.407 -0.36 -0.681 -0.148 -0.14 -1.182 -0.713565830721003 -0.704807579532738 -0.6958 -0.8658 2141706 PK04_097063 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 C24 compound treatment -0.876 -0.354 -0.31 -0.946 -0.413 -0.39 -0.947 -0.478565830721003 -0.472691951150088 -0.6805 -0.9864 2141172 PK04_097064 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D01 compound treatment -0.845 -0.323 -0.29 -1.151 -0.618 -0.59 -1.116 -0.647565830721003 -0.639617658369952 -0.8738 -0.9551 2141788 PK04_097065 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D02 compound treatment -1.283 -0.761 -0.67 -1.483 -0.95 -0.9 -0.912 -0.443565830721003 -0.438121538412247 -1.1637 -0.962 2143973 PK04_097066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D03 compound treatment -1.57 -1.05 -0.93 -1.784 -1.25 -1.19 -1.389 -0.920565830721003 -0.909266877725116 -1.7477 -0.9919 2141854 PK04_097067 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D04 compound treatment -1.007 -0.485 -0.43 -1.827 -1.29 -1.23 -1.088 -0.619565830721003 -0.611961328179678 -1.3123 -0.9105 2141969 PK04_097068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D05 compound treatment -0.704 -0.182 -0.16 -1.566 -1.03 -0.98 -0.692 -0.223565830721003 -0.220821801202957 -0.7883 -0.7719 2141087 PK04_097069 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D06 compound treatment -0.806 -0.284 -0.25 -1.627 -1.09 -1.04 -0.105 0.363434169278997 0.358973406714557 -0.5392 -0.477 2144657 PK04_097070 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D07 compound treatment -0.321 0.201 0.18 -1.092 -0.559 -0.53 -0.854 -0.385565830721003 -0.380833425875252 -0.4245 -0.6257 2141768 PK04_097071 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D08 compound treatment -0.798 -0.276 -0.24 -1.01 -0.477 -0.45 2.257 2.725434169279 1.6905760873076 0.5731 0.3242 2144733 PK04_097072 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D09 compound treatment -1.0 -0.478 -0.42 -1.455 -0.922 -0.88 -0.873 -0.404565830721003 -0.399600221361509 -0.9816 -0.9319 2141552 PK04_097073 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D10 compound treatment -0.077 0.445 0.39 -1.145 -0.612 -0.58 0.211 0.679434169278997 0.671094847433355 0.2782 0.2862 2143885 PK04_097074 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D11 mock treatment -0.606 -0.0836 -0.07 -0.632 -0.099 -0.09 -0.488 -0.019565830721003 -0.0193256812452518 -0.1082 -0.8922 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D12 mock treatment -0.783 -0.261 -0.23 -1.356 -0.823 -0.78 -0.841 -0.372565830721003 -0.367992986858339 -0.7981 -0.8906 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D13 compound treatment -1.404 -0.882 -0.78 -1.368 -0.835 -0.8 -1.667 -1.198565830721 -1.1838547274714 -1.5927 -0.9799 2141513 PK04_097075 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D14 compound treatment -0.094 0.428 0.38 -1.128 -0.595 -0.57 -0.792 -0.323565830721003 -0.319594409025361 -0.2931 -0.3892 2144449 PK04_097076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D15 mock treatment -0.677 -0.155 -0.14 -0.83 -0.297 -0.28 -1.157 -0.688565830721003 -0.680114427577137 -0.6349 -0.8474 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D16 mock treatment -1.0 -0.478 -0.42 -1.345 -0.812 -0.77 -0.898 -0.429565830721003 -0.42429337331711 -0.9353 -0.9563 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D17 compound treatment -0.677 -0.155 -0.14 -1.56 -1.03 -0.98 -0.98 -0.511565830721003 -0.505286911731481 -0.9355 -0.8431 2141816 PK04_097077 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D18 compound treatment -0.862 -0.34 -0.3 -1.31 -0.777 -0.74 -0.392 0.076434169278997 0.0754960222642564 -0.5571 -0.6943 2142085 PK04_097078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D19 compound treatment -1.215 -0.693 -0.61 -1.689 -1.16 -1.1 -1.21 -0.741565830721003 -0.732463909723012 -1.4122 -0.969 2141432 PK04_097079 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D20 compound treatment -0.819 -0.297 -0.26 -1.184 -0.651 -0.62 -0.877 -0.408565830721003 -0.403551125674405 -0.7424 -0.9458 2144825 PK04_097080 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D21 compound treatment -1.0 -0.478 -0.42 -1.389 -0.856 -0.82 1.037 1.505434169279 1.46102769583418 0.129 0.0747 2141123 PK04_097081 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D22 compound treatment -0.602 -0.0796 -0.07 -1.159 -0.626 -0.6 -0.875 -0.406565830721003 -0.401575673517957 -0.6167 -0.8538 2144893 PK04_097082 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D23 compound treatment -0.875 -0.353 -0.31 -1.0 -0.467 -0.44 -1.208 -0.739565830721003 -0.730488457566563 -0.8585 -0.9431 2141421 PK04_097083 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 D24 compound treatment -1.149 -0.627 -0.55 -1.23 -0.697 -0.66 -0.942 -0.473565830721003 -0.467753320758968 -0.9732 -0.9899 2143085 PK04_097084 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E01 mock treatment -1.329 -0.807 -0.71 -1.537 -1.0 -0.96 -1.128 -0.659565830721003 -0.65147037130864 -1.34 -0.9858 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E02 mock treatment -1.133 -0.611 -0.54 -0.881 -0.348 -0.33 -0.849 -0.380565830721003 -0.375894795484132 -0.72 -0.9776 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E03 compound treatment -0.846 -0.324 -0.29 -0.831 -0.298 -0.28 -0.857 -0.388565830721003 -0.383796604109924 -0.5506 -0.9894 2141878 PK04_097085 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E04 compound treatment -1.852 -1.33 -1.18 -2.0 -1.47 -1.4 -1.684 -1.215565830721 -1.20064607080121 -2.1787 -0.9969 2141520 PK04_097086 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E05 compound treatment -0.955 -0.433 -0.38 -1.613 -1.08 -1.03 -1.684 -1.215565830721 -1.20064607080121 -1.508 -0.927 2141359 PK04_097087 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E06 compound treatment -1.645 -1.12 -0.99 -0.686 -0.153 -0.15 -1.388 -0.919565830721003 -0.908279151646891 -1.1815 -0.8731 2141507 PK04_097088 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E07 compound treatment -0.947 -0.425 -0.38 -0.881 -0.348 -0.33 -0.947 -0.478565830721003 -0.472691951150088 -0.681 -0.9889 2141863 PK04_097089 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E08 compound treatment -1.333 -0.811 -0.72 -1.123 -0.59 -0.56 -1.36 -0.891565830721003 -0.880622821456618 -1.2466 -0.9841 2141163 PK04_097090 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E09 mock treatment -0.922 -0.4 -0.35 -0.576 -0.043 -0.04 -0.861 -0.392565830721003 -0.38774750842282 -0.4514 -0.858 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E10 mock treatment -0.899 -0.377 -0.33 -0.949 -0.416 -0.4 -0.656 -0.187565830721003 -0.185263662386891 -0.5279 -0.9604 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E11 compound treatment -0.204 0.318 0.28 -0.885 -0.352 -0.34 -0.593 -0.124565830721003 -0.123036919458776 -0.1021 -0.2244 2141456 PK04_097091 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E12 compound treatment -1.304 -0.782 -0.69 -1.113 -0.58 -0.55 -1.074 -0.605565830721003 -0.598133163084542 -1.0632 -0.9956 2141683 PK04_097092 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E13 compound treatment -1.271 -0.749 -0.66 -0.773 -0.24 -0.23 -1.148 -0.679565830721003 -0.671224892873121 -0.9016 -0.9295 2141357 PK04_097093 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E14 compound treatment -0.89 -0.368 -0.32 -0.667 -0.134 -0.13 -0.624 -0.155565830721003 -0.153656427883722 -0.35 -0.9176 2141366 PK04_097094 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E15 compound treatment -0.781 -0.259 -0.23 -1.071 -0.538 -0.51 -0.679 -0.210565830721003 -0.207981362186044 -0.5479 -0.9156 2141575 PK04_097095 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E16 compound treatment -1.493 -0.971 -0.86 -1.527 -0.994 -0.95 -1.39 -0.921565830721003 -0.910254603803339 -1.5676 -0.9992 2141485 PK04_097096 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E17 mock treatment -0.468 0.0544 0.05 -1.462 -0.929 -0.88 -1.411 -0.942565830721003 -0.930996851446044 -1.0207 -0.794 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E18 mock treatment -1.386 -0.864 -0.76 -0.767 -0.234 -0.22 -0.898 -0.429565830721003 -0.42429337331711 -0.8144 -0.9035 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E19 compound treatment -0.806 -0.284 -0.25 -1.19 -0.657 -0.63 -0.848 -0.379565830721003 -0.374907069405908 -0.7225 -0.9366 2141377 PK04_097097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E20 compound treatment -0.59 -0.0676 -0.06 -0.768 -0.235 -0.22 -0.723 -0.254565830721003 -0.251441309627902 -0.3089 -0.9034 2141326 PK04_097098 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E21 compound treatment -0.577 -0.0546 -0.05 -0.25 0.283 0.27 -0.5 -0.031565830721003 -0.0311783941839403 0.1098 0.3984 2141702 PK04_097099 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E22 compound treatment -1.344 -0.822 -0.73 -1.254 -0.721 -0.69 -1.255 -0.786565830721003 -0.776911583243094 -1.2644 -0.9987 2141417 PK04_097100 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E23 compound treatment -0.643 -0.121 -0.11 -1.453 -0.92 -0.88 -1.444 -0.975565830721003 -0.963591812027438 -1.1239 -0.86 2141167 PK04_097101 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 E24 compound treatment -1.429 -0.907 -0.8 -1.243 -0.71 -0.68 -1.3 -0.831565830721003 -0.821359256763176 -1.3274 -0.9965 2141113 PK04_097102 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F01 mock treatment -1.306 -0.784 -0.69 -0.967 -0.434 -0.41 -0.713 -0.244565830721003 -0.241564048845662 -0.7781 -0.924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F02 mock treatment -1.09 -0.568 -0.5 -1.013 -0.48 -0.46 -0.937 -0.468565830721003 -0.462814690367848 -0.8209 -0.9991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F03 compound treatment -1.932 -1.41 -1.25 -1.162 -0.629 -0.6 -1.482 -1.013565830721 -1.00112540299995 -1.6434 -0.9627 2141216 PK04_097103 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F04 compound treatment -1.091 -0.569 -0.5 -1.07 -0.537 -0.51 -1.057 -0.588565830721003 -0.581341819754733 -0.9212 -0.9978 2142933 PK04_097104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F05 compound treatment -1.5 -0.978 -0.86 -1.16 -0.627 -0.6 -1.489 -1.020565830721 -1.00803948554752 -1.4258 -0.9793 2141355 PK04_097105 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F06 compound treatment -1.208 -0.686 -0.61 -1.324 -0.791 -0.75 -1.087 -0.618565830721003 -0.610973602101454 -1.1377 -0.9946 2142833 PK04_097106 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F07 compound treatment -1.216 -0.694 -0.61 -0.905 -0.372 -0.35 -0.229 0.239434169278997 0.236495373014776 -0.4221 -0.5653 2141414 PK04_097107 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F08 compound treatment -1.714 -1.19 -1.05 -1.293 -0.76 -0.72 -1.3 -0.831565830721003 -0.821359256763176 -1.5004 -0.9875 2144249 PK04_097108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F09 mock treatment -1.113 -0.591 -0.52 -1.062 -0.529 -0.5 -0.356 0.112434169278997 0.111054161080322 -0.5283 -0.7196 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F10 mock treatment -0.788 -0.266 -0.23 -0.729 -0.196 -0.19 -0.623 -0.154565830721003 -0.152668701805498 -0.3315 -0.9849 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F11 compound treatment -1.39 -0.868 -0.77 -1.333 -0.8 -0.76 -1.438 -0.969565830721003 -0.957665455558094 -1.4357 -0.994 2141568 PK04_097109 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F12 compound treatment 0.018 0.54 0.48 -0.357 0.176 0.17 -0.339 0.129434169278997 0.127845504410131 0.4465 0.8549 2142765 PK04_097110 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F13 compound treatment -1.487 -0.965 -0.85 -1.427 -0.894 -0.85 -1.011 -0.542565830721003 -0.535906420156427 -1.2934 -0.9806 2141348 PK04_097111 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F14 compound treatment -1.519 -0.997 -0.88 -0.824 -0.291 -0.28 -1.419 -0.950565830721003 -0.938898660071837 -1.2108 -0.9193 2142645 PK04_097112 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F15 compound treatment -1.753 -1.23 -1.09 -1.286 -0.753 -0.72 -1.598 -1.129565830721 -1.11570162807394 -1.6864 -0.983 2141505 PK04_097113 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F16 compound treatment -1.333 -0.811 -0.72 -1.067 -0.534 -0.51 -1.239 -0.770565830721003 -0.761107965991509 -1.1468 -0.9865 2142977 PK04_097114 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F17 mock treatment -1.103 -0.581 -0.51 -0.714 -0.181 -0.17 -1.0 -0.531565830721003 -0.525041433295962 -0.699 -0.9268 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F18 mock treatment -1.296 -0.774 -0.68 -1.044 -0.511 -0.49 -1.135 -0.666565830721003 -0.658384453856208 -1.056 -0.9898 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F19 compound treatment -0.608 -0.0856 -0.08 -1.014 -0.481 -0.46 -1.286 -0.817565830721003 -0.807531091668039 -0.7744 -0.8313 2141200 PK04_097115 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F20 compound treatment -0.262 0.26 0.23 -0.672 -0.139 -0.13 -1.014 -0.545565830721003 -0.538869598391099 -0.2546 -0.4238 2142045 PK04_097116 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F21 compound treatment -1.594 -1.07 -0.95 -1.379 -0.846 -0.81 -1.322 -0.853565830721003 -0.843089230484105 -1.499 -0.9976 2141938 PK04_097117 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F22 compound treatment -0.925 -0.403 -0.36 -1.065 -0.532 -0.51 -0.535 -0.066565830721003 -0.0657488069217819 -0.536 -0.8608 2144373 PK04_097118 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F23 compound treatment -1.406 -0.884 -0.78 -1.275 -0.742 -0.71 -1.229 -0.760565830721003 -0.751230705209268 -1.2928 -0.9992 2141419 PK04_097119 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 F24 compound treatment 0.438 0.96 0.85 -0.197 0.336 0.32 -0.088 0.380434169278997 0.375764750044366 0.892 0.9082 2142769 PK04_097120 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G01 compound treatment -1.228 -0.706 -0.62 -1.579 -1.05 -1.0 -1.507 -1.038565830721 -1.02581855495555 -1.5277 -0.9791 2141178 PK04_097121 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G02 compound treatment -1.354 -0.832 -0.74 -0.965 -0.432 -0.41 -1.281 -0.812565830721003 -0.802592461276919 -1.1254 -0.9672 2141487 PK04_097122 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G03 mock treatment -1.188 -0.666 -0.59 -0.902 -0.369 -0.35 -0.932 -0.463565830721003 -0.457876059976727 -0.807 -0.9791 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G04 mock treatment -0.418 0.104 0.09 -0.916 -0.383 -0.36 -1.175 -0.706565830721003 -0.69789349698517 -0.5602 -0.7066 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G05 compound treatment -1.104 -0.582 -0.51 -1.267 -0.734 -0.7 -1.079 -0.610565830721003 -0.603071793475662 -1.0487 -0.9923 2141519 PK04_097123 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G06 compound treatment 0.129 0.651 0.58 -0.129 0.404 0.38 -0.211 0.257434169278997 0.254274442422808 0.7016 0.9507 2141537 PK04_097124 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G07 compound treatment -0.345 0.177 0.16 -0.056 0.477 0.45 -0.348 0.120434169278997 0.118955969706114 0.4216 0.8513 2141722 PK04_097125 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G08 compound treatment -0.452 0.0704 0.06 -1.397 -0.864 -0.82 -0.733 -0.264565830721003 -0.261318570410143 -0.5901 -0.6816 2141577 PK04_097126 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G09 compound treatment -1.144 -0.622 -0.55 -1.215 -0.682 -0.65 -0.686 -0.217565830721003 -0.214895444733613 -0.8164 -0.9303 2141458 PK04_097127 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G10 compound treatment -0.833 -0.311 -0.27 -1.18 -0.647 -0.62 -0.907 -0.438565830721003 -0.433182908021126 -0.7644 -0.9534 2141190 PK04_097128 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G11 compound treatment -0.687 -0.165 -0.15 -0.847 -0.314 -0.3 -0.93 -0.461565830721003 -0.455900607820279 -0.5199 -0.9213 2141333 PK04_097129 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G12 compound treatment -0.313 0.209 0.19 -1.169 -0.636 -0.61 -1.523 -1.054565830721 -1.04162217220714 -0.8443 -0.6925 2141508 PK04_097130 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G13 compound treatment -1.36 -0.838 -0.74 -1.481 -0.948 -0.9 -1.419 -0.950565830721003 -0.938898660071837 -1.491 -0.995 2141118 PK04_097131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G14 compound treatment -1.213 -0.691 -0.61 -1.193 -0.66 -0.63 -1.122 -0.653565830721003 -0.645544014839296 -1.0882 -0.9997 2141927 PK04_097132 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G15 compound treatment -1.185 -0.663 -0.59 -0.892 -0.359 -0.34 -1.147 -0.678565830721003 -0.670237166794897 -0.9226 -0.9675 2141159 PK04_097133 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G16 compound treatment -0.254 0.268 0.24 -0.966 -0.433 -0.41 -1.258 -0.789565830721003 -0.779874761477766 -0.5514 -0.6035 2141713 PK04_097134 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G17 compound treatment -0.778 -0.256 -0.23 -0.713 -0.18 -0.17 -0.84 -0.371565830721003 -0.367005260780115 -0.4413 -0.9515 2141795 PK04_097135 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G18 compound treatment -0.557 -0.0346 -0.03 -0.905 -0.372 -0.35 -0.281 0.187434169278997 0.185133616947125 -0.1153 -0.2876 2141553 PK04_097136 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G19 mock treatment -0.828 -0.306 -0.27 -0.691 -0.158 -0.15 -0.61 -0.141565830721003 -0.139828262788585 -0.3236 -0.9535 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G20 mock treatment -0.135 0.387 0.34 -1.246 -0.713 -0.68 -0.602 -0.133565830721003 -0.131926454162793 -0.2705 -0.3504 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G21 compound treatment -1.181 -0.659 -0.58 -1.133 -0.6 -0.57 -0.663 -0.194565830721003 -0.19217774493446 -0.7771 -0.9271 2141819 PK04_097137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G22 compound treatment -1.398 -0.876 -0.77 -1.768 -1.23 -1.18 -1.167 -0.698565830721003 -0.689991688359378 -1.5245 -0.9721 2141516 PK04_097138 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G23 compound treatment -0.62 -0.0976 -0.09 -1.377 -0.844 -0.8 -1.466 -0.997565830721003 -0.985321785748367 -1.0829 -0.8495 2141691 PK04_097139 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 G24 compound treatment -0.824 -0.302 -0.27 -1.354 -0.821 -0.78 -0.711 -0.242565830721003 -0.239588596689214 -0.7438 -0.8646 2141155 PK04_097140 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H01 compound treatment -0.648 -0.126 -0.11 -1.282 -0.749 -0.71 -0.581 -0.112565830721003 -0.111184206520088 -0.5402 -0.7394 2141157 PK04_097141 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H02 compound treatment -1.198 -0.676 -0.6 -1.505 -0.972 -0.93 -0.891 -0.422565830721003 -0.417379290769542 -1.1204 -0.9509 2143037 PK04_097142 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H03 mock treatment -0.988 -0.466 -0.41 -0.702 -0.169 -0.16 -0.857 -0.388565830721003 -0.383796604109924 -0.5521 -0.9433 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H04 mock treatment -0.959 -0.437 -0.39 -1.115 -0.582 -0.55 -0.836 -0.367565830721003 -0.363054356467219 -0.7525 -0.9813 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H05 compound treatment -1.359 -0.837 -0.74 -1.433 -0.9 -0.86 -1.105 -0.636565830721003 -0.628752671509487 -1.285 -0.9922 2141926 PK04_097143 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H06 compound treatment -0.891 -0.369 -0.33 -0.915 -0.382 -0.36 -0.71 -0.241565830721003 -0.23860087061099 -0.536 -0.9859 2143177 PK04_097144 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H07 compound treatment -1.035 -0.513 -0.45 -1.233 -0.7 -0.67 -0.558 -0.089565830721003 -0.088466506720935 -0.6977 -0.8602 2141694 PK04_097145 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H08 compound treatment -0.714 -0.192 -0.17 -0.976 -0.443 -0.42 -0.645 -0.176565830721003 -0.174398675526427 -0.4421 -0.9078 2143025 PK04_097146 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H09 compound treatment -0.817 -0.295 -0.26 -1.258 -0.725 -0.69 -0.897 -0.428565830721003 -0.423305647238886 -0.7935 -0.9326 2141749 PK04_097147 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H10 compound treatment -0.695 -0.173 -0.15 -1.211 -0.678 -0.65 -0.254 0.214434169278997 0.211802221059175 -0.3387 -0.4862 2143077 PK04_097148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H11 compound treatment -0.58 -0.0576 -0.05 -0.942 -0.409 -0.39 -0.14 0.328434169278997 0.324402993976716 -0.067 -0.1315 2141097 PK04_097149 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H12 compound treatment -0.957 -0.435 -0.38 -1.259 -0.726 -0.69 -1.118 -0.649565830721003 -0.6415931105264 -0.9915 -0.9734 2142913 PK04_097150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H13 compound treatment -0.145 0.377 0.33 -0.84 -0.307 -0.29 -0.787 -0.318565830721003 -0.314655778634241 -0.1578 -0.2902 2141401 PK04_097151 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H14 compound treatment -0.768 -0.246 -0.22 -1.488 -0.955 -0.91 -0.971 -0.502565830721003 -0.496397377027465 -0.9372 -0.8851 2143093 PK04_097152 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H15 compound treatment -0.804 -0.282 -0.25 -0.979 -0.446 -0.42 -1.06 -0.591565830721003 -0.584304997989405 -0.7263 -0.9506 2141777 PK04_097153 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H16 compound treatment -0.859 -0.337 -0.3 -1.162 -0.629 -0.6 -0.718 -0.249565830721003 -0.246502679236782 -0.66 -0.9258 2143865 PK04_097154 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H17 compound treatment -1.052 -0.53 -0.47 -1.418 -0.885 -0.84 -1.014 -0.545565830721003 -0.538869598391099 -1.0682 -0.9669 2141142 PK04_097155 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H18 compound treatment -0.856 -0.334 -0.29 -1.208 -0.675 -0.64 -0.079 0.389434169278997 0.384654284748382 -0.3194 -0.3967 2143925 PK04_097156 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H19 mock treatment -0.649 -0.127 -0.11 -0.983 -0.45 -0.43 0.469 0.937434169278997 0.925928175615158 0.2225 0.2168 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H20 mock treatment -0.743 -0.221 -0.19 -0.618 -0.085 -0.08 -0.3 0.168434169278997 0.166366821460868 -0.0633 -0.2353 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H21 compound treatment -1.274 -0.752 -0.66 -1.222 -0.689 -0.66 -0.915 -0.446565830721003 -0.441084716646919 -1.0172 -0.9848 2141168 PK04_097157 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H22 compound treatment -1.044 -0.522 -0.46 -1.325 -0.792 -0.75 -0.905 -0.436565830721003 -0.431207455864678 -0.9508 -0.9665 2143057 PK04_097158 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H23 compound treatment -0.915 -0.393 -0.35 -0.716 -0.183 -0.17 -0.368 0.100434169278997 0.0992014481416335 -0.2437 -0.608 2141804 PK04_097159 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 H24 compound treatment -0.926 -0.404 -0.36 -1.423 -0.89 -0.85 -1.33 -0.861565830721003 -0.850991039109897 -1.1868 -0.9471 2142649 PK04_097160 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I01 compound treatment -1.687 -1.16 -1.03 -1.213 -0.68 -0.65 -0.864 -0.395565830721003 -0.390710686657492 -1.194 -0.9346 2141890 PK04_097161 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I02 compound treatment -0.824 -0.302 -0.27 -0.402 0.131 0.12 -0.68 -0.211565830721003 -0.208969088264268 -0.2025 -0.5609 2141465 PK04_097162 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I03 compound treatment -1.014 -0.492 -0.43 -1.673 -1.14 -1.09 -0.982 -0.513565830721003 -0.50726236388793 -1.1708 -0.9183 2141772 PK04_097163 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I04 compound treatment -0.871 -0.349 -0.31 -1.118 -0.585 -0.56 -1.041 -0.572565830721003 -0.565538202503148 -0.8262 -0.9701 2141343 PK04_097164 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I05 mock treatment -1.324 -0.802 -0.71 -1.031 -0.498 -0.47 -0.981 -0.512565830721003 -0.506274637809706 -0.9753 -0.9834 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I06 mock treatment -1.2 -0.678 -0.6 -0.685 -0.152 -0.14 -0.5 -0.031565830721003 -0.0311783941839403 -0.4474 -0.7251 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I07 compound treatment -1.221 -0.699 -0.62 -1.177 -0.644 -0.61 -1.089 -0.620565830721003 -0.612949054257902 -1.0646 -1.0 2141794 PK04_097165 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I08 compound treatment -0.409 0.113 0.1 -1.032 -0.499 -0.48 -1.143 -0.674565830721003 -0.666286262482001 -0.6012 -0.7291 2141922 PK04_097166 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I09 compound treatment -1.448 -0.926 -0.82 -1.469 -0.936 -0.89 -1.609 -1.140565830721 -1.12656661493441 -1.6376 -0.9905 2141780 PK04_097167 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I10 compound treatment -1.263 -0.741 -0.65 -0.851 -0.318 -0.3 -0.875 -0.406565830721003 -0.401575673517957 -0.7847 -0.9505 2141799 PK04_097168 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I11 compound treatment -1.078 -0.556 -0.49 -1.055 -0.522 -0.5 -1.036 -0.567565830721003 -0.560599572112028 -0.8943 -0.9982 2141177 PK04_097169 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I12 compound treatment -1.519 -0.997 -0.88 -1.556 -1.02 -0.97 -1.639 -1.170565830721 -1.15619839728113 -1.7388 -0.9936 2141747 PK04_097170 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I13 compound treatment -1.478 -0.956 -0.84 -0.905 -0.372 -0.35 -0.787 -0.318565830721003 -0.314655778634241 -0.874 -0.9023 2141423 PK04_097171 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I14 compound treatment -0.873 -0.351 -0.31 -0.776 -0.243 -0.23 -0.623 -0.154565830721003 -0.152668701805498 -0.4007 -0.9636 2141775 PK04_097172 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I15 compound treatment -0.734 -0.212 -0.19 -1.639 -1.11 -1.05 -0.852 -0.383565830721003 -0.378857973718804 -0.935 -0.8237 2141538 PK04_097173 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I16 compound treatment -0.874 -0.352 -0.31 -0.918 -0.385 -0.37 -1.012 -0.543565830721003 -0.536894146234651 -0.7012 -0.9729 2065871 PK04_097174 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I17 compound treatment 0.091 0.613 0.54 -1.55 -1.02 -0.97 -1.588 -1.119565830721 -1.1058243672917 -0.8847 -0.5645 2141729 PK04_097175 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I18 compound treatment -1.16 -0.638 -0.56 -0.838 -0.305 -0.29 -0.919 -0.450565830721003 -0.445035620959815 -0.7501 -0.9682 2141892 PK04_097176 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I19 compound treatment -0.552 -0.0296 -0.03 -0.714 -0.181 -0.17 -0.977 -0.508565830721003 -0.502323733496809 -0.4046 -0.761 2141687 PK04_097177 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I20 compound treatment 0.742 1.26 1.12 1.138 1.67 1.49 1.652 2.120434169279 1.59929786591422 2.4309 0.9893 2141680 PK04_097178 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I21 mock treatment -1.746 -1.22 -1.08 -1.327 -0.794 -0.76 -1.3 -0.831565830721003 -0.821359256763176 -1.5354 -0.9877 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I22 mock treatment -1.538 -1.02 -0.9 -0.897 -0.364 -0.35 -1.109 -0.640565830721003 -0.632703575822383 -1.0838 -0.941 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I23 compound treatment -1.125 -0.603 -0.53 -1.339 -0.806 -0.77 -1.309 -0.840565830721003 -0.830248791467192 -1.2302 -0.9841 2141841 PK04_097179 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 I24 compound treatment -1.148 -0.626 -0.55 -0.972 -0.439 -0.42 -1.222 -0.753565830721003 -0.7443166226617 -0.9905 -0.9737 2141766 PK04_097180 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J01 compound treatment -1.535 -1.01 -0.9 -1.48 -0.947 -0.9 -1.437 -0.968565830721003 -0.95667772947987 -1.59 -0.9996 2141705 PK04_097181 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J02 compound treatment -1.757 -1.23 -1.09 -1.354 -0.821 -0.78 -1.543 -1.074565830721 -1.06137669377162 -1.6945 -0.99 2143397 PK04_097182 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J03 compound treatment -1.725 -1.2 -1.06 -1.307 -0.774 -0.74 -1.532 -1.063565830721 -1.05051170691115 -1.646 -0.9877 2141179 PK04_097183 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J04 compound treatment -0.813 -0.291 -0.26 -0.707 -0.174 -0.17 -0.956 -0.487565830721003 -0.481581485854104 -0.522 -0.9152 2144337 PK04_097184 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J05 mock treatment -0.649 -0.127 -0.11 -0.757 -0.224 -0.21 -0.765 -0.296565830721003 -0.292925804913312 -0.3569 -0.941 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J06 mock treatment -1.038 -0.516 -0.46 -0.846 -0.313 -0.3 -0.611 -0.142565830721003 -0.140815988866809 -0.5166 -0.9183 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J07 compound treatment -1.207 -0.685 -0.61 -1.143 -0.61 -0.58 -1.188 -0.719565830721003 -0.710733936002083 -1.0952 -0.9961 2141805 PK04_097185 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J08 compound treatment -0.603 -0.0806 -0.07 -0.594 -0.061 -0.06 -0.794 -0.325565830721003 -0.321569861181809 -0.2603 -0.7783 2143365 PK04_097186 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J09 compound treatment -1.493 -0.971 -0.86 -1.39 -0.857 -0.82 -0.982 -0.513565830721003 -0.50726236388793 -1.2596 -0.9776 2141901 PK04_097187 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J10 compound treatment -1.088 -0.566 -0.5 -1.397 -0.864 -0.82 -1.094 -0.625565830721003 -0.617887684649023 -1.1206 -0.9794 2144881 PK04_097188 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J11 compound treatment -1.043 -0.521 -0.46 -1.246 -0.713 -0.68 -1.212 -0.743565830721003 -0.73443936187946 -1.0819 -0.9825 2141717 PK04_097189 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J12 compound treatment -0.191 0.331 0.29 -0.685 -0.152 -0.14 -0.607 -0.138565830721003 -0.136865084553913 0.0066 0.0186 2143405 PK04_097190 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J13 compound treatment -1.165 -0.643 -0.57 -0.796 -0.263 -0.25 -1.256 -0.787565830721003 -0.777899309321318 -0.9217 -0.9261 2141188 PK04_097191 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J14 compound treatment -0.64 -0.118 -0.1 -0.75 -0.217 -0.21 -1.197 -0.728565830721003 -0.719623470706099 -0.5948 -0.7869 2142929 PK04_097192 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J15 compound treatment -1.493 -0.971 -0.86 -0.688 -0.155 -0.15 -1.301 -0.832565830721003 -0.8223469828414 -1.0554 -0.8812 2141365 PK04_097193 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J16 compound treatment -1.197 -0.675 -0.6 -1.013 -0.48 -0.46 -1.076 -0.607565830721003 -0.60010861524099 -0.9548 -0.9928 2144325 PK04_097194 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J17 compound treatment -0.965 -0.443 -0.39 -1.13 -0.597 -0.57 -0.969 -0.500565830721003 -0.494421924871017 -0.8397 -0.9889 2141221 PK04_097195 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J18 compound treatment -0.636 -0.114 -0.1 -0.704 -0.171 -0.16 -0.788 -0.319565830721003 -0.315643504712465 -0.3342 -0.9055 2143377 PK04_097196 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J19 compound treatment -1.23 -0.708 -0.63 -1.054 -0.521 -0.5 -1.0 -0.531565830721003 -0.525041433295962 -0.9508 -0.9949 2141815 PK04_097197 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J20 compound treatment -1.462 -0.94 -0.83 -1.145 -0.612 -0.58 -0.932 -0.463565830721003 -0.457876059976727 -1.0805 -0.9705 2142585 PK04_097198 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J21 mock treatment -1.0 -0.478 -0.42 -0.855 -0.322 -0.31 -0.857 -0.388565830721003 -0.383796604109924 -0.6424 -0.9917 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J22 mock treatment -1.0 -0.478 -0.42 -1.246 -0.713 -0.68 -1.097 -0.628565830721003 -0.620850862883695 -0.9943 -0.9821 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J23 compound treatment -1.366 -0.844 -0.75 -1.566 -1.03 -0.98 -1.316 -0.847565830721003 -0.83716287401476 -1.4821 -0.9935 2141186 PK04_097199 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 J24 compound treatment -1.173 -0.651 -0.58 -1.108 -0.575 -0.55 -1.241 -0.772565830721003 -0.763083418147957 -1.0889 -0.9886 2144237 PK04_097200 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K01 compound treatment -1.598 -1.08 -0.95 -1.761 -1.23 -1.17 -1.46 -0.991565830721003 -0.979395429279023 -1.7898 -0.9956 2141164 PK04_097201 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K02 compound treatment -0.024 0.498 0.44 -0.313 0.22 0.21 -0.157 0.311434169278997 0.307611650646907 0.5531 0.9587 2141443 PK04_097202 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K03 compound treatment -1.204 -0.682 -0.6 -0.976 -0.443 -0.42 -1.406 -0.937565830721003 -0.926058221054924 -1.1262 -0.9522 2141548 PK04_097203 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K04 compound treatment -1.431 -0.909 -0.8 -1.442 -0.909 -0.87 -2.055 -1.586565830721 -1.56709244582233 -1.8685 -0.9522 2141351 PK04_097204 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K05 compound treatment -0.976 -0.454 -0.4 -0.787 -0.254 -0.24 -0.958 -0.489565830721003 -0.483556938010553 -0.6504 -0.9661 2141786 PK04_097205 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K06 compound treatment 0.699 1.22 1.08 -0.356 0.177 0.17 -0.033 0.435434169278997 0.430089684346688 0.9692 0.8251 2141746 PK04_097206 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K07 mock treatment -0.4 0.122 0.11 0.554 1.09 1.04 -0.131 0.337434169278997 0.333292528680732 0.8528 0.7801 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K08 mock treatment -0.247 0.275 0.24 -0.695 -0.162 -0.15 -0.116 0.352434169278997 0.348108419854093 0.2525 0.5587 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K09 compound treatment -0.866 -0.344 -0.3 -1.015 -0.482 -0.46 -0.878 -0.409565830721003 -0.404538851752629 -0.674 -0.9866 2141350 PK04_097207 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K10 compound treatment -0.422 0.1 0.09 -0.897 -0.364 -0.35 -0.865 -0.396565830721003 -0.391698412735716 -0.3751 -0.7069 2141331 PK04_097208 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K11 compound treatment -0.725 -0.203 -0.18 -0.87 -0.337 -0.32 -0.882 -0.413565830721003 -0.408489756065525 -0.5246 -0.9546 2141806 PK04_097209 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K12 compound treatment -0.721 -0.199 -0.18 -1.143 -0.61 -0.58 -0.743 -0.274565830721003 -0.271195831192383 -0.5934 -0.8926 2141720 PK04_097210 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K13 compound treatment -1.075 -0.553 -0.49 -1.178 -0.645 -0.61 -1.045 -0.576565830721003 -0.569489106816044 -0.9656 -0.9957 2141904 PK04_097211 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K14 compound treatment -0.935 -0.413 -0.36 -0.85 -0.317 -0.3 -0.833 -0.364565830721003 -0.360091178232547 -0.5928 -0.9965 2141222 PK04_097212 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K15 mock treatment -0.4 0.122 0.11 -0.568 -0.035 -0.03 -0.696 -0.227565830721003 -0.224772705515853 -0.0865 -0.3437 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K16 mock treatment -0.683 -0.161 -0.14 -0.869 -0.336 -0.32 -0.786 -0.317565830721003 -0.313668052556017 -0.4478 -0.9527 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K17 compound treatment -0.642 -0.12 -0.11 -0.404 0.129 0.12 -0.571 -0.102565830721003 -0.101306945737847 -0.0485 -0.2539 2141773 PK04_097213 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K18 compound treatment -0.444 0.0784 0.07 -0.543 -0.00995 -0.01 -0.148 0.320434169278997 0.316501185350923 0.2173 0.6704 2141524 PK04_097214 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K19 compound treatment -0.797 -0.275 -0.24 -1.191 -0.658 -0.63 -0.417 0.051434169278997 0.0508028703086553 -0.4727 -0.7012 2141218 PK04_097215 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K20 compound treatment -0.43 0.0924 0.08 -0.373 0.16 0.15 -0.057 0.411434169278997 0.406384258469311 0.3698 0.8374 2141861 PK04_097216 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K21 compound treatment -0.414 0.108 0.1 -1.667 -1.13 -1.08 -1.434 -0.965565830721003 -0.953714551245197 -1.119 -0.7748 2141117 PK04_097217 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K22 compound treatment -0.126 0.396 0.35 -1.452 -0.919 -0.88 -1.074 -0.605565830721003 -0.598133163084542 -0.6484 -0.5807 2141354 PK04_097218 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K23 mock treatment -1.058 -0.536 -0.47 -1.053 -0.52 -0.5 -1.191 -0.722565830721003 -0.713697114236755 -0.9714 -0.9818 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 K24 mock treatment -1.083 -0.561 -0.5 -1.0 -0.467 -0.44 -1.015 -0.546565830721003 -0.539857324469323 -0.8546 -0.9969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L01 compound treatment -0.653 -0.131 -0.12 -0.174 0.359 0.34 -0.785 -0.316565830721003 -0.312680326477793 -0.0497 -0.104 2141684 PK04_097219 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L02 compound treatment -0.417 0.105 0.09 -1.269 -0.736 -0.7 -0.677 -0.208565830721003 -0.206005910029596 -0.4699 -0.6379 2143489 PK04_097220 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L03 compound treatment -1.046 -0.524 -0.46 -1.479 -0.946 -0.9 -1.324 -0.855565830721003 -0.845064682640553 -1.2754 -0.9668 2141375 PK04_097221 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L04 compound treatment -1.024 -0.502 -0.44 -1.576 -1.04 -0.99 -1.277 -0.808565830721003 -0.798641556964023 -1.2907 -0.9563 2143313 PK04_097222 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L05 compound treatment -1.228 -0.706 -0.62 -1.564 -1.03 -0.98 1.056 1.524434169279 1.4663511759686 -0.0806 -0.043 2141889 PK04_097223 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L06 compound treatment -0.802 -0.28 -0.25 -0.221 0.312 0.3 -0.761 -0.292565830721003 -0.288974900600416 -0.1379 -0.2857 2144793 PK04_097224 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L07 mock treatment -0.688 -0.166 -0.15 -0.847 -0.314 -0.3 -0.813 -0.344565830721003 -0.340336656668066 -0.4537 -0.9528 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L08 mock treatment -0.861 -0.339 -0.3 2.088 2.62 1.65 -0.56 -0.0915658307210031 -0.090441958877383 0.7273 0.4332 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L09 compound treatment -0.93 -0.408 -0.36 -1.346 -0.813 -0.77 -0.835 -0.366565830721003 -0.362066630388995 -0.8642 -0.9315 2141438 PK04_097225 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L10 compound treatment -1.032 -0.51 -0.45 -1.333 -0.8 -0.76 -0.34 0.128434169278997 0.126857778331907 -0.6268 -0.7009 2142993 PK04_097226 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L11 compound treatment -0.194 0.328 0.29 -1.027 -0.494 -0.47 -0.078 0.390434169278997 0.385642010826606 0.1186 0.176 2141185 PK04_097227 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L12 compound treatment -0.782 -0.26 -0.23 -0.687 -0.154 -0.15 -0.93 -0.461565830721003 -0.455900607820279 -0.4804 -0.9046 2144653 PK04_097228 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L13 compound treatment -0.56 -0.0376 -0.03 -1.042 -0.509 -0.48 -1.0 -0.531565830721003 -0.525041433295962 -0.6022 -0.8418 2141893 PK04_097229 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L14 compound treatment -0.026 0.496 0.44 -0.126 0.407 0.39 -0.697 -0.228565830721003 -0.225760431594077 0.3469 0.5527 2143417 PK04_097230 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L15 mock treatment -0.919 -0.397 -0.35 -0.947 -0.414 -0.39 -0.952 -0.483565830721003 -0.477630581541208 -0.7059 -0.9917 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L16 mock treatment -0.837 -0.315 -0.28 -0.772 -0.239 -0.23 -0.962 -0.493565830721003 -0.487507842323449 -0.5734 -0.9468 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L17 compound treatment -1.176 -0.654 -0.58 0.2 0.733 0.7 -1.215 -0.746565830721003 -0.737402540114132 -0.3561 -0.3048 2141152 PK04_097231 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L18 compound treatment -0.867 -0.345 -0.3 -0.821 -0.288 -0.27 -0.702 -0.233565830721003 -0.230699061985197 -0.4674 -0.9937 2143325 PK04_097232 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L19 compound treatment -1.254 -0.732 -0.65 -0.882 -0.349 -0.33 -0.277 0.191434169278997 0.189084521260021 -0.4562 -0.6071 2141709 PK04_097233 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L20 compound treatment -0.519 0.00345 0.0 -0.862 -0.329 -0.31 -0.669 -0.200565830721003 -0.198104101403804 -0.2935 -0.7917 2142773 PK04_097234 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L21 compound treatment -0.833 -0.311 -0.27 -1.295 -0.762 -0.73 -0.282 0.186434169278997 0.184145890868901 -0.4713 -0.5909 2141174 PK04_097235 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L22 compound treatment -0.975 -0.453 -0.4 -1.095 -0.562 -0.54 0.569 1.037434169279 1.02470078343756 0.0515 0.0421 2142985 PK04_097236 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L23 mock treatment -1.167 -0.645 -0.57 -0.825 -0.292 -0.28 0.003 0.471434169278997 0.465647823162754 -0.2207 -0.2806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 L24 mock treatment -0.865 -0.343 -0.3 -0.929 -0.396 -0.38 -0.804 -0.335565830721003 -0.33144712196405 -0.584 -0.9959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M01 compound treatment -1.792 -1.27 -1.12 -1.54 -1.01 -0.96 -1.573 -1.104565830721 -1.09100847611834 -1.8318 -0.9978 2141838 PK04_097237 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M02 compound treatment -1.486 -0.964 -0.85 -1.549 -1.02 -0.97 -1.618 -1.149565830721 -1.13545614963842 -1.7062 -0.9931 2141189 PK04_097238 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M03 compound treatment -0.753 -0.231 -0.2 -1.121 -0.588 -0.56 -0.772 -0.303565830721003 -0.29983988746088 -0.6142 -0.9205 2141724 PK04_097239 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M04 compound treatment -0.775 -0.253 -0.22 -0.843 -0.31 -0.3 -0.917 -0.448565830721003 -0.443060168803367 -0.5552 -0.9616 2141153 PK04_097240 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M05 compound treatment -0.973 -0.451 -0.4 -1.23 -0.697 -0.66 -1.184 -0.715565830721003 -0.706783031689186 -1.0214 -0.9743 2141436 PK04_097241 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M06 compound treatment -1.346 -0.824 -0.73 -1.205 -0.672 -0.64 -1.222 -0.753565830721003 -0.7443166226617 -1.2197 -0.9979 2141769 PK04_097242 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M07 compound treatment -1.169 -0.647 -0.57 -1.048 -0.515 -0.49 -0.841 -0.372565830721003 -0.367992986858339 -0.8257 -0.9849 2141771 PK04_097243 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M08 compound treatment -0.639 -0.117 -0.1 -1.016 -0.483 -0.46 -1.295 -0.826565830721003 -0.816420626372055 -0.7965 -0.8448 2141480 PK04_097244 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M09 mock treatment -1.839 -1.32 -1.16 -1.02 -0.487 -0.46 -1.288 -0.819565830721003 -0.809506543824487 -1.4072 -0.9433 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M10 mock treatment -1.412 -0.89 -0.79 -0.946 -0.413 -0.39 -0.886 -0.417565830721003 -0.412440660378421 -0.9193 -0.9465 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M11 compound treatment -1.581 -1.06 -0.94 -1.424 -0.891 -0.85 -1.828 -1.359565830721 -1.34287862606547 -1.8057 -0.9793 2141571 PK04_097245 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M12 compound treatment -1.51 -0.988 -0.87 -1.082 -0.549 -0.52 -1.356 -0.887565830721003 -0.876671917143722 -1.3122 -0.9769 2141879 PK04_097246 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M13 mock treatment -1.412 -0.89 -0.79 -1.29 -0.757 -0.72 -1.301 -0.832565830721003 -0.8223469828414 -1.3452 -0.9985 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M14 mock treatment -0.936 -0.414 -0.37 -0.74 -0.207 -0.2 -0.684 -0.215565830721003 -0.212919992577165 -0.4478 -0.9594 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M15 compound treatment -1.514 -0.992 -0.88 -1.618 -1.08 -1.03 -1.25 -0.781565830721003 -0.771972952851973 -1.5486 -0.9928 2141832 PK04_097247 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M16 compound treatment -0.986 -0.464 -0.41 -1.064 -0.531 -0.51 -1.146 -0.677565830721003 -0.669249440716673 -0.915 -0.9801 2141542 PK04_097248 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M17 compound treatment 0.228 0.75 0.66 -1.197 -0.664 -0.63 -1.362 -0.893565830721003 -0.882598273613066 -0.4917 -0.3864 2141399 PK04_097249 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M18 compound treatment -1.452 -0.93 -0.82 -0.734 -0.201 -0.19 -0.875 -0.406565830721003 -0.401575673517957 -0.8169 -0.8741 2141903 PK04_097250 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M19 compound treatment -1.133 -0.611 -0.54 -1.117 -0.584 -0.56 -0.93 -0.461565830721003 -0.455900607820279 -0.896 -0.9964 2141716 PK04_097251 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M20 compound treatment -0.492 0.0304 0.03 -0.985 -0.452 -0.43 -1.152 -0.683565830721003 -0.675175797186017 -0.6229 -0.7774 2141203 PK04_097252 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M21 compound treatment -1.649 -1.13 -1.0 -1.483 -0.95 -0.9 -1.527 -1.058565830721 -1.04557307652003 -1.7012 -0.9982 2141110 PK04_097253 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M22 compound treatment -1.277 -0.755 -0.67 -1.03 -0.497 -0.47 -1.143 -0.674565830721003 -0.666286262482001 -1.0432 -0.9888 2141731 PK04_097254 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M23 compound treatment -1.302 -0.78 -0.69 -1.424 -0.891 -0.85 -1.542 -1.073565830721 -1.06038896769339 -1.5002 -0.9849 2141095 PK04_097255 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 M24 compound treatment -1.625 -1.1 -0.97 -0.94 -0.407 -0.39 -1.268 -0.799565830721003 -0.789752022260006 -1.2426 -0.9463 2141894 PK04_097256 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N01 compound treatment -2.077 -1.55 -1.37 -0.362 0.171 0.16 -1.873 -1.404565830721 -1.38732629958555 -1.5004 -0.7657 2141340 PK04_097257 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N02 compound treatment -1.421 -0.899 -0.79 -1.025 -0.492 -0.47 -1.257 -0.788565830721003 -0.778887035399542 -1.1789 -0.9766 2142089 PK04_097258 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N03 compound treatment -1.178 -0.656 -0.58 -0.342 0.191 0.18 -1.082 -0.613565830721003 -0.606034971710334 -0.5794 -0.6753 2141511 PK04_097259 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N04 compound treatment -1.108 -0.586 -0.52 -0.831 -0.298 -0.28 -0.742 -0.273565830721003 -0.270208105114159 -0.6188 -0.953 2144305 PK04_097260 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N05 compound treatment -1.066 -0.544 -0.48 -0.808 -0.275 -0.26 -0.719 -0.250565830721003 -0.247490405315006 -0.5716 -0.9516 2141839 PK04_097261 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N06 compound treatment -0.808 -0.286 -0.25 -1.036 -0.503 -0.48 -0.982 -0.513565830721003 -0.50726236388793 -0.7153 -0.9639 2142057 PK04_097262 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N07 compound treatment -1.724 -1.2 -1.06 -1.7 -1.17 -1.11 -0.777 -0.308565830721003 -0.304778517852001 -1.4311 -0.913 2141431 PK04_097263 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N08 compound treatment -1.397 -0.875 -0.77 -1.0 -0.467 -0.44 -1.0 -0.531565830721003 -0.525041433295962 -1.0064 -0.9723 2144369 PK04_097264 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N09 mock treatment -1.014 -0.492 -0.43 -0.941 -0.408 -0.39 0.028 0.496434169278997 0.490340975118355 -0.1922 -0.2523 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N10 mock treatment -0.955 -0.433 -0.38 -1.047 -0.514 -0.49 -0.744 -0.275565830721003 -0.272183557270607 -0.6606 -0.974 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N11 compound treatment -1.303 -0.781 -0.69 -1.824 -1.29 -1.23 -1.28 -0.811565830721003 -0.801604735198695 -1.5713 -0.9687 2141527 PK04_097265 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N12 compound treatment -0.31 0.212 0.19 -0.588 -0.055 -0.05 -0.686 -0.217565830721003 -0.214895444733613 -0.0459 -0.158 2144009 PK04_097266 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N13 mock treatment -0.861 -0.339 -0.3 0.584 1.12 1.06 -0.87 -0.401565830721003 -0.396637043126837 0.2126 0.181 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N14 mock treatment -0.973 -0.451 -0.4 -0.566 -0.033 -0.03 -0.81 -0.341565830721003 -0.337373478433394 -0.4429 -0.8469 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N15 compound treatment -1.357 -0.835 -0.74 -0.81 -0.277 -0.26 -1.347 -0.878565830721003 -0.867782382439706 -1.0793 -0.9231 2141907 PK04_097267 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N16 compound treatment -1.5 -0.978 -0.86 -1.179 -0.646 -0.62 -1.424 -0.955565830721003 -0.943837290462957 -1.3992 -0.9853 2143157 PK04_097268 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N17 compound treatment -1.017 -0.495 -0.44 -0.789 -0.256 -0.24 -1.118 -0.649565830721003 -0.6415931105264 -0.7636 -0.9384 2141544 PK04_097269 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N18 compound treatment -1.809 -1.29 -1.14 -1.397 -0.864 -0.82 -1.5 -1.031565830721 -1.01890447240798 -1.7202 -0.9916 2144297 PK04_097270 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N19 compound treatment -1.821 -1.3 -1.15 -1.381 -0.848 -0.81 -0.599 -0.130565830721003 -0.128963275928121 -1.2037 -0.8539 2141483 PK04_097271 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N20 compound treatment 0.565 1.09 0.96 -0.754 -0.221 -0.21 -0.731 -0.262565830721003 -0.259343118253694 0.2838 0.2789 2142217 PK04_097272 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N21 compound treatment -1.114 -0.592 -0.52 -0.893 -0.36 -0.34 -0.59 -0.121565830721003 -0.120073741224104 -0.5693 -0.8939 2141887 PK04_097273 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N22 compound treatment -1.271 -0.749 -0.66 -1.587 -1.05 -1.0 -1.25 -0.781565830721003 -0.771972952851973 -1.4075 -0.9849 2143065 PK04_097274 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N23 compound treatment -1.084 -0.562 -0.5 -1.075 -0.542 -0.52 -0.831 -0.362565830721003 -0.358115726076099 -0.7915 -0.9884 2141817 PK04_097275 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 N24 compound treatment -0.632 -0.11 -0.1 -1.066 -0.533 -0.51 -1.038 -0.569565830721003 -0.562575024268476 -0.6739 -0.882 2144333 PK04_097276 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O01 compound treatment -1.426 -0.904 -0.8 -1.515 -0.982 -0.94 -1.422 -0.953565830721003 -0.941861838306509 -1.5451 -0.9973 2141166 PK04_097277 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O02 compound treatment 0.758 1.28 1.13 0.36 0.893 0.85 0.5 0.968434169278997 0.956547684040104 1.697 0.9931 2141900 PK04_097278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O03 compound treatment -0.96 -0.438 -0.39 -0.674 -0.141 -0.13 -1.04 -0.571565830721003 -0.564550476424924 -0.6268 -0.8988 2141790 PK04_097279 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O04 compound treatment -0.881 -0.359 -0.32 -1.1 -0.567 -0.54 -1.436 -0.967565830721003 -0.955690003401646 -1.0466 -0.916 2141883 PK04_097280 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O05 compound treatment -1.333 -0.811 -0.72 -0.732 -0.199 -0.19 -0.847 -0.378565830721003 -0.373919343327684 -0.739 -0.8902 2141427 PK04_097281 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O06 compound treatment -0.543 -0.0206 -0.02 -0.765 -0.232 -0.22 -0.8 -0.331565830721003 -0.327496217651154 -0.3271 -0.8272 2141093 PK04_097282 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O07 compound treatment 0.1 0.622 0.55 -1.308 -0.775 -0.74 -0.355 0.113434169278997 0.112041887158546 -0.0438 -0.0473 2141812 PK04_097283 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O08 compound treatment -0.046 0.476 0.42 -0.921 -0.388 -0.37 -0.173 0.295434169278997 0.291808033395322 0.1983 0.3138 2141430 PK04_097284 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O09 compound treatment -0.586 -0.0636 -0.06 -1.246 -0.713 -0.68 -0.737 -0.268565830721003 -0.265269474723039 -0.5777 -0.79 2141454 PK04_097285 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O10 compound treatment -1.129 -0.607 -0.54 -1.328 -0.795 -0.76 -1.065 -0.596565830721003 -0.589243628380525 -1.087 -0.9889 2141529 PK04_097286 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O11 mock treatment -0.434 0.0884 0.08 -0.5 0.033 0.03 -0.71 -0.241565830721003 -0.23860087061099 -0.0744 -0.2941 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O12 mock treatment -0.63 -0.108 -0.1 -1.065 -0.532 -0.51 -0.986 -0.517565830721003 -0.511213268200826 -0.6426 -0.8851 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O13 compound treatment -0.667 -0.145 -0.13 -1.03 -0.497 -0.47 -0.899 -0.430565830721003 -0.425281099395334 -0.5927 -0.913 2141368 PK04_097287 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O14 compound treatment -0.586 -0.0636 -0.06 -0.898 -0.365 -0.35 -0.909 -0.440565830721003 -0.435158360177574 -0.4844 -0.8653 2141362 PK04_097288 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O15 compound treatment -1.0 -0.478 -0.42 -1.25 -0.717 -0.68 -1.486 -1.017565830721 -1.00507630731285 -1.2184 -0.9471 2141460 PK04_097289 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O16 compound treatment -0.902 -0.38 -0.34 -1.183 -0.65 -0.62 -1.281 -0.812565830721003 -0.802592461276919 -1.0146 -0.9502 2141860 PK04_097290 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O17 compound treatment -0.463 0.0594 0.05 -0.156 0.377 0.36 -0.203 0.265434169278997 0.262176251048601 0.3891 0.8689 2141175 PK04_097291 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O18 compound treatment -0.968 -0.446 -0.39 -1.125 -0.592 -0.56 -0.616 -0.147565830721003 -0.145754619257929 -0.6372 -0.9061 2141486 PK04_097292 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O19 compound treatment 0.138 0.66 0.58 -0.241 0.292 0.28 -0.44 0.028434169278997 0.0280851705095023 0.514 0.7939 2141156 PK04_097293 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O20 compound treatment -0.316 0.206 0.18 -0.5 0.033 0.03 0.072 0.540434169278997 0.533800922560213 0.4317 0.7641 2141685 PK04_097294 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O21 compound treatment -0.228 0.294 0.26 -1.338 -0.805 -0.77 -0.76 -0.291565830721003 -0.287987174522192 -0.4587 -0.5337 2141094 PK04_097295 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O22 compound treatment -0.713 -0.191 -0.17 -0.95 -0.417 -0.4 -0.839 -0.370565830721003 -0.366017534701891 -0.5379 -0.9507 2141379 PK04_097296 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O23 compound treatment -1.342 -0.82 -0.72 -0.902 -0.369 -0.35 -1.138 -0.669565830721003 -0.66134763209088 -1.0031 -0.9626 2141397 PK04_097297 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 O24 compound treatment -0.792 -0.27 -0.24 -1.474 -0.941 -0.9 -1.425 -0.956565830721003 -0.944825016541181 -1.2006 -0.9068 2065842 PK04_097298 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P01 compound treatment -0.167 0.355 0.31 -0.521 0.012 0.01 0.092 0.560434169278997 0.553555444124694 0.5077 0.7974 2141898 PK04_097299 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P02 compound treatment -0.765 -0.243 -0.21 -0.75 -0.217 -0.21 -1.136 -0.667565830721003 -0.659372179934432 -0.6238 -0.8622 2143305 PK04_097300 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P03 compound treatment -0.506 0.0164 0.01 -0.89 -0.357 -0.34 -0.744 -0.275565830721003 -0.272183557270607 -0.3451 -0.7918 2141555 PK04_097301 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P04 compound treatment -0.78 -0.258 -0.23 -0.92 -0.387 -0.37 -0.957 -0.488565830721003 -0.482569211932328 -0.6229 -0.9605 2144945 PK04_097302 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P05 compound treatment -1.18 -0.658 -0.58 -1.127 -0.594 -0.57 -1.024 -0.555565830721003 -0.548746859173339 -0.9791 -0.9997 2141923 PK04_097303 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P06 compound treatment -0.792 -0.27 -0.24 -0.736 -0.203 -0.19 -0.714 -0.245565830721003 -0.242551774923886 -0.3893 -0.9951 2144433 PK04_097304 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P07 compound treatment 1.652 2.17 1.47 -1.234 -0.701 -0.67 -0.331 0.137434169278997 0.135747313035923 0.5404 0.3339 2141482 PK04_097305 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P08 compound treatment -0.94 -0.418 -0.37 -1.304 -0.771 -0.73 1.055 1.523434169279 1.46607311232887 0.2093 0.1245 2143929 PK04_097306 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P09 compound treatment -0.72 -0.198 -0.17 -0.875 -0.342 -0.33 -0.058 0.410434169278997 0.405396532391087 -0.0549 -0.1 2141698 PK04_097307 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P10 compound treatment -0.972 -0.45 -0.4 -1.22 -0.687 -0.65 -1.286 -0.817565830721003 -0.807531091668039 -1.0735 -0.9647 2142653 PK04_097308 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P11 mock treatment -0.69 -0.168 -0.15 -0.653 -0.12 -0.11 -0.392 0.076434169278997 0.0754960222642564 -0.1079 -0.5349 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P12 mock treatment -1.242 -0.72 -0.64 -0.79 -0.257 -0.24 -0.921 -0.452565830721003 -0.447011073116263 -0.7667 -0.9406 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P13 compound treatment 0.262 0.784 0.69 0.75 1.28 1.22 -0.242 0.226434169278997 0.223654933997863 1.2352 0.868 2141449 PK04_097309 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P14 compound treatment -0.744 -0.222 -0.2 -0.813 -0.28 -0.27 -0.775 -0.306565830721003 -0.302803065695552 -0.4419 -0.9852 2144933 PK04_097310 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P15 compound treatment -0.941 -0.419 -0.37 -0.934 -0.401 -0.38 -1.321 -0.852565830721003 -0.842101504405881 -0.9204 -0.9241 2141416 PK04_097311 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P16 compound treatment -0.987 -0.465 -0.41 -0.549 -0.016 -0.02 -0.658 -0.189565830721003 -0.187239114543339 -0.354 -0.7838 2144445 PK04_097312 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P17 compound treatment -0.912 -0.39 -0.34 -0.918 -0.385 -0.37 -0.702 -0.233565830721003 -0.230699061985197 -0.5438 -0.9825 2141453 PK04_097313 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P18 compound treatment 0.074 0.596 0.53 -0.977 -0.444 -0.42 -0.741 -0.272565830721003 -0.269220379035935 -0.0952 -0.1308 2142745 PK04_097314 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P19 compound treatment -1.168 -0.646 -0.57 -1.52 -0.987 -0.94 -1.248 -0.779565830721003 -0.769997500695525 -1.3169 -0.9808 2141541 PK04_097315 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P20 compound treatment -0.066 0.456 0.4 -0.911 -0.378 -0.36 -0.3 0.168434169278997 0.166366821460868 0.1212 0.2141 2142193 PK04_097316 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P21 compound treatment -0.691 -0.169 -0.15 -1.437 -0.904 -0.86 -0.073 0.395434169278997 0.390580641217727 -0.3577 -0.3737 2141134 PK04_097317 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P22 compound treatment -0.709 -0.187 -0.16 -0.542 -0.00895 -0.01 -0.744 -0.275565830721003 -0.272183557270607 -0.2573 -0.8082 2142729 PK04_097318 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P23 compound treatment -0.549 -0.0266 -0.02 -1.717 -1.18 -1.13 -1.141 -0.672565830721003 -0.664310810325553 -1.0483 -0.8007 2141121 PK04_097319 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2097 P24 compound treatment -1.57 -1.05 -0.93 -0.924 -0.391 -0.37 -1.093 -0.624565830721003 -0.616899958570798 -1.1059 -0.9424 2144273 PK04_097320 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A01 compound treatment -2.471 -1.95 -1.72 -1.957 -1.42 -1.36 -2.133 -1.664565830721 -1.6441350799238 -2.727 -0.995 2141696 PK04_098001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A02 compound treatment -0.833 -0.311 -0.27 -0.612 -0.079 -0.08 -0.675 -0.206565830721003 -0.204030457873148 -0.3197 -0.9129 2144133 PK04_098002 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A03 compound treatment -1.343 -0.821 -0.73 -1.35 -0.817 -0.78 -1.224 -0.755565830721003 -0.746292074818148 -1.299 -0.9996 2141089 PK04_098003 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A04 compound treatment -0.648 -0.126 -0.11 -0.848 -0.315 -0.3 -1.277 -0.808565830721003 -0.798641556964023 -0.6984 -0.8118 2142093 PK04_098004 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A05 compound treatment -1.017 -0.495 -0.44 -2.0 -1.47 -1.4 -1.878 -1.409565830721 -1.39226492997667 -1.8631 -0.9221 2141744 PK04_098005 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A06 compound treatment -1.492 -0.97 -0.86 -1.219 -0.686 -0.65 -1.289 -0.820565830721003 -0.810494269902711 -1.3401 -0.9937 2143237 PK04_098006 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A07 compound treatment -1.9 -1.38 -1.22 -1.583 -1.05 -1.0 -1.386 -0.917565830721003 -0.906303699490443 -1.8039 -0.9922 2141337 PK04_098007 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A08 compound treatment -0.754 -0.232 -0.2 -0.891 -0.358 -0.34 -1.111 -0.642565830721003 -0.634679027978831 -0.6815 -0.9099 2144129 PK04_098008 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A09 compound treatment -1.122 -0.6 -0.53 -1.0 -0.467 -0.44 -1.218 -0.749565830721003 -0.740365718348804 -0.9903 -0.9772 2141791 PK04_098009 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A10 compound treatment -1.6 -1.08 -0.95 -1.471 -0.938 -0.89 -1.457 -0.988565830721003 -0.976432251044351 -1.6297 -0.9993 2144193 PK04_098010 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A11 compound treatment -1.209 -0.687 -0.61 -1.333 -0.8 -0.76 -1.474 -1.005565830721 -0.993223594374159 -1.3639 -0.9803 2141133 PK04_098011 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A12 compound treatment -1.891 -1.37 -1.21 -1.583 -1.05 -1.0 -1.828 -1.359565830721 -1.34287862606547 -2.0514 -0.993 2143993 PK04_098012 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A13 mock treatment -1.928 -1.41 -1.24 -1.41 -0.877 -0.84 -1.633 -1.164565830721 -1.15027204081178 -1.8639 -0.9871 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A14 mock treatment -1.593 -1.07 -0.95 -1.233 -0.7 -0.67 -1.422 -0.953565830721003 -0.941861838306509 -1.4752 -0.9884 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A15 compound treatment -1.299 -0.777 -0.69 -1.413 -0.88 -0.84 -1.284 -0.815565830721003 -0.805555639511591 -1.3455 -0.9965 2141695 PK04_098013 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A16 compound treatment -1.629 -1.11 -0.98 -1.375 -0.842 -0.8 -1.413 -0.944565830721003 -0.932972303602493 -1.5666 -0.9966 2144913 PK04_098014 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A17 compound treatment -1.119 -0.597 -0.53 -1.161 -0.628 -0.6 -1.0 -0.531565830721003 -0.525041433295962 -0.953 -0.9981 2141801 PK04_098015 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A18 compound treatment -1.652 -1.13 -1.0 -1.631 -1.1 -1.05 -1.553 -1.084565830721 -1.07125395455386 -1.7989 -0.9996 2142117 PK04_098016 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A19 compound treatment -1.967 -1.44 -1.28 -1.565 -1.03 -0.98 -1.426 -0.957565830721003 -0.945812742619405 -1.851 -0.9905 2141835 PK04_098017 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A20 compound treatment -1.476 -0.954 -0.84 -1.262 -0.729 -0.69 -1.229 -0.760565830721003 -0.751230705209268 -1.3214 -0.9968 2144205 PK04_098018 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A21 compound treatment -1.435 -0.913 -0.81 -1.333 -0.8 -0.76 -1.093 -0.624565830721003 -0.616899958570798 -1.262 -0.9939 2141920 PK04_098019 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A22 compound treatment -1.469 -0.947 -0.84 -1.361 -0.828 -0.79 -1.42 -0.951565830721003 -0.939886386150061 -1.4812 -0.9973 2141945 PK04_098020 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A23 compound treatment -1.0 -0.478 -0.42 -1.068 -0.535 -0.51 -1.317 -0.848565830721003 -0.838150600092984 -1.0219 -0.9569 2141111 PK04_098021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 A24 compound treatment -1.917 -1.39 -1.23 -1.452 -0.919 -0.88 -1.921 -1.452565830721 -1.43473715134031 -2.0456 -0.9814 2143385 PK04_098022 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B01 compound treatment -1.443 -0.921 -0.81 -0.824 -0.291 -0.28 -1.418 -0.949565830721003 -0.937910933993613 -1.1714 -0.9207 2142845 PK04_098023 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B02 compound treatment -0.83 -0.308 -0.27 -0.487 0.046 0.04 -1.131 -0.662565830721003 -0.654433549543312 -0.5095 -0.7176 2143009 PK04_098024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B03 compound treatment -0.06 0.462 0.41 -0.6 -0.067 -0.06 -0.747 -0.278565830721003 -0.275146735505279 0.0404 0.0812 2144209 PK04_098025 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B04 compound treatment -1.224 -0.702 -0.62 -1.013 -0.48 -0.46 -1.354 -0.885565830721003 -0.874696464987274 -1.1271 -0.9669 2142037 PK04_098026 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B05 compound treatment -2.018 -1.5 -1.32 -1.343 -0.81 -0.77 -1.231 -0.762565830721003 -0.753206157365717 -1.6437 -0.9634 2144313 PK04_098027 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B06 compound treatment -0.872 -0.35 -0.31 -0.871 -0.338 -0.32 -0.568 -0.0995658307210029 -0.0983437675031753 -0.4211 -0.9214 2143245 PK04_098028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B07 compound treatment -0.836 -0.314 -0.28 0.098 0.631 0.6 -0.181 0.287434169278997 0.28390622476953 0.3509 0.4872 2144661 PK04_098029 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B08 compound treatment -0.457 0.0654 0.06 -1.029 -0.496 -0.47 0.506 0.974434169278997 0.962474040509448 0.3163 0.2946 2143409 PK04_098030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B09 compound treatment -0.886 -0.364 -0.32 -1.122 -0.589 -0.56 -0.835 -0.366565830721003 -0.362066630388995 -0.7185 -0.9696 2144745 PK04_098031 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B10 compound treatment -1.014 -0.492 -0.43 -1.306 -0.773 -0.74 -0.571 -0.102565830721003 -0.101306945737847 -0.7345 -0.8531 2143049 PK04_098032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B11 compound treatment -0.663 -0.141 -0.12 -0.673 -0.14 -0.13 -0.598 -0.129565830721003 -0.127975549849897 -0.2226 -0.9996 2143257 PK04_098033 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B12 compound treatment -0.5 0.0224 0.02 -0.986 -0.453 -0.43 -0.864 -0.395565830721003 -0.390710686657492 -0.4632 -0.7953 2141502 PK04_098034 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B13 mock treatment -1.044 -0.522 -0.46 -0.644 -0.111 -0.11 -0.802 -0.333565830721003 -0.329471669807602 -0.5175 -0.8976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B14 mock treatment -1.219 -0.697 -0.62 -0.989 -0.456 -0.43 -1.13 -0.661565830721003 -0.653445823465088 -0.9836 -0.9861 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B15 compound treatment -1.342 -0.82 -0.72 -0.829 -0.296 -0.28 -1.175 -0.706565830721003 -0.69789349698517 -0.984 -0.9419 2142113 PK04_098035 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B16 compound treatment -0.955 -0.433 -0.38 -0.779 -0.246 -0.23 -0.922 -0.453565830721003 -0.447998799194487 -0.6147 -0.9697 2141859 PK04_098036 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B17 compound treatment -0.617 -0.0946 -0.08 -1.0 -0.467 -0.44 -1.116 -0.647565830721003 -0.639617658369952 -0.6744 -0.8606 2144033 PK04_098037 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B18 compound treatment -1.429 -0.907 -0.8 -0.984 -0.451 -0.43 -0.75 -0.281565830721003 -0.278109913739951 -0.8713 -0.9163 2141540 PK04_098038 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B19 compound treatment -1.93 -1.41 -1.24 -1.371 -0.838 -0.8 -1.395 -0.926565830721003 -0.91519323419446 -1.7077 -0.9821 2144437 PK04_098039 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B20 compound treatment -1.195 -0.673 -0.59 -1.178 -0.645 -0.61 -0.738 -0.269565830721003 -0.266257200801263 -0.8518 -0.9511 2144725 PK04_098040 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B21 compound treatment -0.5 0.0224 0.02 -0.722 -0.189 -0.18 -0.731 -0.262565830721003 -0.259343118253694 -0.2422 -0.7657 2143413 PK04_098041 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B22 compound treatment -1.085 -0.563 -0.5 -1.5 -0.967 -0.92 -1.0 -0.531565830721003 -0.525041433295962 -1.1221 -0.9581 2141509 PK04_098042 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B23 compound treatment -1.338 -0.816 -0.72 -1.444 -0.911 -0.87 -1.232 -0.763565830721003 -0.754193883443941 -1.3528 -0.9968 2142009 PK04_098043 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 B24 compound treatment -0.718 -0.196 -0.17 -1.11 -0.577 -0.55 -1.094 -0.625565830721003 -0.617887684649023 -0.7739 -0.916 2141342 PK04_098044 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C01 compound treatment -1.489 -0.967 -0.85 -1.774 -1.24 -1.18 -1.462 -0.993565830721003 -0.981370881435471 -1.7425 -0.9911 2141145 PK04_098045 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C02 compound treatment -1.4 -0.878 -0.78 -1.257 -0.724 -0.69 -1.388 -0.919565830721003 -0.908279151646891 -1.3705 -0.9936 2143097 PK04_098046 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C03 compound treatment -0.289 0.233 0.21 -0.196 0.337 0.32 -0.826 -0.357565830721003 -0.353177095684979 0.1006 0.1935 2141834 PK04_098047 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C04 compound treatment -1.0 -0.478 -0.42 -1.18 -0.647 -0.62 -1.304 -0.835565830721003 -0.825310161076072 -1.0761 -0.9666 2142605 PK04_098048 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C05 compound treatment -0.036 0.486 0.43 -0.244 0.289 0.28 0.296 0.764434169278997 0.755051564082399 0.8432 0.925 2141398 PK04_098049 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C06 compound treatment -1.656 -1.13 -1.0 -1.356 -0.823 -0.78 -0.839 -0.370565830721003 -0.366017534701891 -1.2426 -0.9385 2143013 PK04_098050 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C07 compound treatment -0.721 -0.199 -0.18 -0.562 -0.029 -0.03 -0.658 -0.189565830721003 -0.187239114543339 -0.2254 -0.8731 2141793 PK04_098051 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C08 compound treatment -0.6 -0.0776 -0.07 -1.338 -0.805 -0.77 -0.595 -0.126565830721003 -0.125012371615224 -0.5545 -0.7109 2143277 PK04_098052 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C09 compound treatment -0.892 -0.37 -0.33 -1.524 -0.991 -0.94 -1.159 -0.690565830721003 -0.682089879733585 -1.1275 -0.9321 2141681 PK04_098053 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C10 compound treatment -1.098 -0.576 -0.51 -1.159 -0.626 -0.6 -1.134 -0.665565830721003 -0.657396727777984 -1.0176 -0.9947 2144125 PK04_098054 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C11 mock treatment -1.019 -0.497 -0.44 -0.956 -0.423 -0.4 -0.904 -0.435565830721003 -0.430219729786454 -0.7345 -0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C12 mock treatment -0.841 -0.319 -0.28 -1.235 -0.702 -0.67 -1.143 -0.674565830721003 -0.666286262482001 -0.9334 -0.9475 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C13 compound treatment -0.932 -0.41 -0.36 -1.594 -1.06 -1.01 -1.415 -0.946565830721003 -0.934947755758941 -1.3324 -0.9359 2141376 PK04_098055 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C14 compound treatment -0.81 -0.288 -0.25 -0.947 -0.414 -0.39 -1.103 -0.634565830721003 -0.626777219353039 -0.7363 -0.9405 2143897 PK04_098056 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C15 mock treatment -1.244 -0.722 -0.64 -0.978 -0.445 -0.42 -1.277 -0.808565830721003 -0.798641556964023 -1.0741 -0.9707 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C16 mock treatment -1.129 -0.607 -0.54 -1.077 -0.544 -0.52 -1.188 -0.719565830721003 -0.710733936002083 -1.0191 -0.9893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C17 compound treatment -1.18 -0.658 -0.58 -0.744 -0.211 -0.2 -0.695 -0.226565830721003 -0.223784979437629 -0.5809 -0.8874 2141461 PK04_098057 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C18 compound treatment -1.507 -0.985 -0.87 -1.464 -0.931 -0.89 -0.147 0.321434169278997 0.317488911429147 -0.8313 -0.6481 2143145 PK04_098058 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C19 compound treatment -0.813 -0.291 -0.26 -0.531 0.00205 0.0 -0.593 -0.124565830721003 -0.123036919458776 -0.2182 -0.7661 2141551 PK04_098059 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C20 compound treatment 0.481 1.0 0.89 -1.819 -1.29 -1.23 -0.494 -0.025565830721003 -0.0252520377145961 -0.2097 -0.1386 2144941 PK04_098060 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C21 compound treatment -0.947 -0.425 -0.38 -1.125 -0.592 -0.56 -0.812 -0.343565830721003 -0.339348930589842 -0.7382 -0.9743 2141535 PK04_098061 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C22 compound treatment -0.393 0.129 0.11 -0.803 -0.27 -0.26 -1.014 -0.545565830721003 -0.538869598391099 -0.3935 -0.6473 2142185 PK04_098062 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C23 compound treatment -1.511 -0.989 -0.87 -1.267 -0.734 -0.7 -1.056 -0.587565830721003 -0.580354093676509 -1.2433 -0.9862 2141425 PK04_098063 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 C24 compound treatment -1.164 -0.642 -0.57 -1.734 -1.2 -1.14 -1.639 -1.170565830721 -1.15619839728113 -1.6555 -0.9611 2144353 PK04_098064 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D01 compound treatment -0.377 0.145 0.13 -0.735 -0.202 -0.19 -0.908 -0.439565830721003 -0.43417063409935 -0.2875 -0.5844 2143317 PK04_098065 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D02 compound treatment -0.641 -0.119 -0.1 -0.902 -0.369 -0.35 -0.974 -0.505565830721003 -0.499360555262137 -0.5517 -0.8905 2144805 PK04_098066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D03 compound treatment -0.365 0.157 0.14 -1.068 -0.535 -0.51 -1.107 -0.638565830721003 -0.630728123665935 -0.578 -0.7025 2142937 PK04_098067 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D04 compound treatment -1.039 -0.517 -0.46 -0.531 0.00205 0.0 -0.789 -0.320565830721003 -0.316631230790689 -0.4453 -0.8014 2141997 PK04_098068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D05 compound treatment -0.853 -0.331 -0.29 -1.526 -0.993 -0.95 -0.641 -0.172565830721003 -0.170447771213531 -0.8133 -0.8095 2144781 PK04_098069 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D06 compound treatment 0.413 0.935 0.83 -1.03 -0.497 -0.47 -0.787 -0.318565830721003 -0.314655778634241 0.0225 0.0224 2144025 PK04_098070 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D07 compound treatment -0.727 -0.205 -0.18 -0.691 -0.158 -0.15 0.072 0.540434169278997 0.533800922560213 0.1169 0.2004 2144817 PK04_098071 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D08 compound treatment -0.695 -0.173 -0.15 -1.044 -0.511 -0.49 -0.215 0.253434169278997 0.250323538109912 -0.2246 -0.3952 2144197 PK04_098072 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D09 compound treatment -0.162 0.36 0.32 -0.778 -0.245 -0.23 -0.167 0.301434169278997 0.297734389864666 0.2212 0.4471 2144761 PK04_098073 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D10 compound treatment 0.354 0.876 0.77 -0.753 -0.22 -0.21 -0.159 0.309434169278997 0.305636198490459 0.5029 0.5854 2142125 PK04_098074 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D11 mock treatment -0.623 -0.101 -0.09 -1.164 -0.631 -0.6 -0.167 0.301434169278997 0.297734389864666 -0.2265 -0.3347 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D12 mock treatment -1.745 -1.22 -1.08 -0.568 -0.035 -0.03 -0.602 -0.133565830721003 -0.131926454162793 -0.7194 -0.6604 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D13 compound treatment 0.13 0.652 0.58 -0.531 0.00205 0.0 -0.885 -0.416565830721003 -0.411452934300197 0.0966 0.1363 2143225 PK04_098075 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D14 compound treatment -0.425 0.0974 0.09 -0.691 -0.158 -0.15 -1.3 -0.831565830721003 -0.821359256763176 -0.5113 -0.6091 2144233 PK04_098076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D15 mock treatment -0.822 -0.3 -0.26 -0.646 -0.113 -0.11 -0.847 -0.378565830721003 -0.373919343327684 -0.4309 -0.9155 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D16 mock treatment -0.717 -0.195 -0.17 -0.488 0.045 0.04 -0.862 -0.393565830721003 -0.388735234501044 -0.299 -0.6997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D17 compound treatment -0.87 -0.348 -0.31 -0.742 -0.209 -0.2 -0.773 -0.304565830721003 -0.300827613539104 -0.466 -0.9835 2143045 PK04_098077 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D18 compound treatment -0.707 -0.185 -0.16 -1.224 -0.691 -0.66 -0.624 -0.155565830721003 -0.153656427883722 -0.563 -0.8096 2142013 PK04_098078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D19 compound treatment -0.365 0.157 0.14 -0.68 -0.147 -0.14 -0.264 0.204434169278997 0.201924960276934 0.1161 0.4112 2142213 PK04_098079 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D20 compound treatment -0.758 -0.236 -0.21 -0.614 -0.081 -0.08 -0.202 0.266434169278997 0.263163977126825 -0.0128 -0.0372 2141447 PK04_098080 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D21 compound treatment -0.467 0.0554 0.05 -0.511 0.022 0.02 -0.204 0.264434169278997 0.261188524970377 0.1912 0.7173 2143393 PK04_098081 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D22 compound treatment -1.021 -0.499 -0.44 -0.672 -0.139 -0.13 -0.216 0.252434169278997 0.249335812031688 -0.187 -0.3572 2065844 PK04_098082 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D23 compound treatment -0.479 0.0434 0.04 -0.379 0.154 0.15 -0.477 -0.00856583072100298 -0.00846069438478731 0.102 0.6715 2144185 PK04_098083 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 D24 compound treatment -2.413 -1.89 -1.67 -0.864 -0.331 -0.32 -1.205 -0.736565830721003 -0.727525279331891 -1.5671 -0.8471 2141197 PK04_098084 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E01 mock treatment -1.674 -1.15 -1.02 -1.5 -0.967 -0.92 -1.538 -1.069565830721 -1.0564380633805 -1.7296 -0.9984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E02 mock treatment -1.325 -0.803 -0.71 -1.125 -0.592 -0.56 -1.179 -0.710565830721003 -0.701844401298066 -1.1404 -0.9949 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E03 compound treatment 0.518 1.04 0.92 0.565 1.1 1.05 -0.221 0.247434169278997 0.244397181640568 1.2761 0.9023 2141526 PK04_098085 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E04 compound treatment -1.746 -1.22 -1.08 -1.375 -0.842 -0.8 -1.604 -1.135565830721 -1.12162798454329 -1.7352 -0.9901 2142637 PK04_098086 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E05 compound treatment -1.411 -0.889 -0.79 -1.639 -1.11 -1.05 -1.609 -1.140565830721 -1.12656661493441 -1.7123 -0.9892 2141181 PK04_098087 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E06 compound treatment -1.062 -0.54 -0.48 -1.323 -0.79 -0.75 -1.1 -0.631565830721003 -0.623814041118367 -1.0701 -0.9838 2142777 PK04_098088 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E07 compound treatment -1.459 -0.937 -0.83 -1.19 -0.657 -0.63 -0.955 -0.486565830721003 -0.48059375977588 -1.1169 -0.9765 2141090 PK04_098089 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E08 compound treatment -0.19 0.332 0.29 -0.308 0.225 0.21 -0.481 -0.012565830721003 -0.0124115986976835 0.2863 0.7865 2144801 PK04_098090 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E09 mock treatment -1.086 -0.564 -0.5 -0.882 -0.349 -0.33 -0.809 -0.340565830721003 -0.33638575235517 -0.6738 -0.9808 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E10 mock treatment -1.804 -1.28 -1.13 -1.433 -0.9 -0.86 -1.51 -1.041565830721 -1.02878173319022 -1.7431 -0.9937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E11 compound treatment 0.714 1.24 1.09 0.15 0.683 0.65 -0.193 0.275434169278997 0.272053511830841 1.1639 0.8947 2141328 PK04_098091 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E12 compound treatment -1.189 -0.667 -0.59 -0.617 -0.084 -0.08 -1.238 -0.769565830721003 -0.760120239913285 -0.8253 -0.8551 2144117 PK04_098092 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E13 compound treatment -1.505 -0.983 -0.87 -1.059 -0.526 -0.5 -1.125 -0.656565830721003 -0.648507193073968 -1.1652 -0.9757 2141750 PK04_098093 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E14 compound treatment -0.446 0.0764 0.07 -0.97 -0.437 -0.42 -0.574 -0.105565830721003 -0.10427012397252 -0.2615 -0.602 2142133 PK04_098094 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E15 compound treatment -2.123 -1.6 -1.42 -1.355 -0.822 -0.78 -1.38 -0.911565830721003 -0.900377343021099 -1.7889 -0.9665 2141837 PK04_098095 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E16 compound treatment -0.838 -0.316 -0.28 -1.19 -0.657 -0.63 -0.889 -0.420565830721003 -0.415403838613093 -0.7622 -0.9513 2143333 PK04_098096 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E17 mock treatment -1.215 -0.693 -0.61 -2.043 -1.51 -1.44 -1.043 -0.574565830721003 -0.567513654659596 -1.5117 -0.9089 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E18 mock treatment -1.904 -1.38 -1.22 -1.216 -0.683 -0.65 -1.75 -1.281565830721 -1.265835991964 -1.8117 -0.966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E19 compound treatment -1.468 -0.946 -0.84 -1.56 -1.03 -0.98 -1.538 -1.069565830721 -1.0564380633805 -1.6574 -0.9955 2141392 PK04_098097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E20 compound treatment -0.968 -0.446 -0.39 -1.061 -0.528 -0.5 -1.054 -0.585565830721003 -0.578378641520061 -0.8517 -0.9884 2144457 PK04_098098 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E21 compound treatment -1.759 -1.24 -1.09 -1.133 -0.6 -0.57 -1.635 -1.166565830721 -1.15224749296823 -1.6264 -0.9635 2141783 PK04_098099 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E22 compound treatment -2.073 -1.55 -1.37 -1.761 -1.23 -1.17 -1.562 -1.093565830721 -1.08014348925788 -2.0905 -0.995 2142073 PK04_098100 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E23 compound treatment -0.909 -0.387 -0.34 -1.245 -0.712 -0.68 -1.326 -0.857565830721003 -0.847040134797001 -1.0779 -0.9475 2141929 PK04_098101 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 E24 compound treatment -1.589 -1.07 -0.94 -2.286 -1.75 -1.67 -1.661 -1.192565830721 -1.17792837100206 -2.1886 -0.9724 2141993 PK04_098102 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F01 mock treatment -1.056 -0.534 -0.47 0.393 0.926 0.88 -0.793 -0.324565830721003 -0.320582135103585 0.0519 0.0494 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F02 mock treatment -1.022 -0.5 -0.44 -0.739 -0.206 -0.2 -0.727 -0.258565830721003 -0.255392213940798 -0.5157 -0.9435 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F03 compound treatment -0.867 -0.345 -0.3 -1.307 -0.774 -0.74 -1.797 -1.328565830721 -1.31225911764053 -1.3592 -0.8851 2142917 PK04_098103 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F04 compound treatment -1.46 -0.938 -0.83 -0.936 -0.403 -0.38 -1.557 -1.088565830721 -1.07520485886675 -1.321 -0.9363 2142953 PK04_098104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F05 compound treatment -0.849 -0.327 -0.29 -0.753 -0.22 -0.21 -0.957 -0.488565830721003 -0.482569211932328 -0.5663 -0.9436 2144897 PK04_098105 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F06 compound treatment -0.966 -0.444 -0.39 -0.292 0.241 0.23 -0.526 -0.057565830721003 -0.0568592722177655 -0.1267 -0.2765 2144329 PK04_098106 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F07 compound treatment -0.19 0.332 0.29 -1.343 -0.81 -0.77 -1.296 -0.827565830721003 -0.817408352450279 -0.7477 -0.6436 2144721 PK04_098107 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F08 compound treatment -0.716 -0.194 -0.17 -0.841 -0.308 -0.29 -0.375 0.093434169278997 0.0922873655940652 -0.2149 -0.6106 2143969 PK04_098108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F09 mock treatment -0.794 -0.272 -0.24 -0.38 0.153 0.15 -0.641 -0.172565830721003 -0.170447771213531 -0.1528 -0.4652 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F10 mock treatment -0.819 -0.297 -0.26 -0.97 -0.437 -0.42 -0.744 -0.275565830721003 -0.272183557270607 -0.5488 -0.9762 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F11 compound treatment -0.179 0.343 0.3 -0.192 0.341 0.32 -0.412 0.056434169278997 0.0557415006997756 0.3951 0.8815 2141973 PK04_098109 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F12 compound treatment -1.03 -0.508 -0.45 -1.618 -1.08 -1.03 -1.492 -1.023565830721 -1.01100266378219 -1.4395 -0.9509 2141515 PK04_098110 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F13 compound treatment -0.777 -0.255 -0.23 -0.89 -0.357 -0.34 -0.578 -0.109565830721003 -0.108221028285416 -0.3887 -0.9214 2144053 PK04_098111 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F14 compound treatment -0.427 0.0954 0.08 -0.61 -0.077 -0.07 -0.464 0.00443416927899698 0.00437974463212522 0.0089 0.0798 2143249 PK04_098112 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F15 compound treatment -0.247 0.275 0.24 -0.282 0.251 0.24 -0.26 0.208434169278997 0.20587586458983 0.3975 0.9973 2144873 PK04_098113 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F16 compound treatment -0.97 -0.448 -0.4 -0.863 -0.33 -0.31 -1.0 -0.531565830721003 -0.525041433295962 -0.7131 -0.9785 2141199 PK04_098114 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F17 mock treatment -1.119 -0.597 -0.53 -0.983 -0.45 -0.43 -0.872 -0.403565830721003 -0.398612495283285 -0.7821 -0.9927 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F18 mock treatment -1.097 -0.575 -0.51 -1.051 -0.518 -0.49 -0.605 -0.136565830721003 -0.134889632397465 -0.656 -0.91 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F19 compound treatment -0.841 -0.319 -0.28 -0.714 -0.181 -0.17 -0.316 0.152434169278997 0.150563204209284 -0.1752 -0.4828 2142825 PK04_098115 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F20 compound treatment -1.11 -0.588 -0.52 -0.95 -0.417 -0.4 -1.115 -0.646565830721003 -0.638629932291727 -0.898 -0.9824 2144217 PK04_098116 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F21 compound treatment -0.625 -0.103 -0.09 -0.692 -0.159 -0.15 -0.674 -0.205565830721003 -0.203042731794924 -0.257 -0.9553 2144057 PK04_098117 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F22 compound treatment -1.17 -0.648 -0.57 -1.127 -0.594 -0.57 -0.932 -0.463565830721003 -0.457876059976727 -0.9216 -0.9952 2141689 PK04_098118 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F23 compound treatment -1.231 -0.709 -0.63 -0.914 -0.381 -0.36 -0.825 -0.356565830721003 -0.352189369606755 -0.7745 -0.9621 2144037 PK04_098119 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 F24 compound treatment -1.419 -0.897 -0.79 -1.063 -0.53 -0.5 -1.855 -1.386565830721 -1.36954723017752 -1.5398 -0.9271 2141464 PK04_098120 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G01 compound treatment -0.138 0.384 0.34 -1.037 -0.504 -0.48 -1.289 -0.820565830721003 -0.810494269902711 -0.5489 -0.5481 2141573 PK04_098121 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G02 compound treatment -1.68 -1.16 -1.02 -1.571 -1.04 -0.99 -1.74 -1.271565830721 -1.25595873118176 -1.8869 -0.9941 2144113 PK04_098122 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G03 mock treatment -1.553 -1.03 -0.91 -1.237 -0.704 -0.67 -1.615 -1.146565830721 -1.13249297140375 -1.5671 -0.979 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G04 mock treatment -1.385 -0.863 -0.76 -1.024 -0.491 -0.47 -1.234 -0.765565830721003 -0.756169335600389 -1.1469 -0.9791 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G05 compound treatment -1.049 -0.527 -0.47 -0.702 -0.169 -0.16 -0.813 -0.344565830721003 -0.340336656668066 -0.5582 -0.9323 2141531 PK04_098123 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G06 compound treatment -1.25 -0.728 -0.64 -1.328 -0.795 -0.76 -0.72 -0.251565830721003 -0.24847813139323 -0.9521 -0.9296 2143985 PK04_098124 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G07 compound treatment -0.809 -0.287 -0.25 -0.398 0.135 0.13 -0.095 0.373434169278997 0.368850667496798 0.141 0.3028 2065843 PK04_098125 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G08 compound treatment -0.093 0.429 0.38 -1.389 -0.856 -0.82 -0.415 0.053434169278997 0.0527783224651034 -0.2211 -0.2454 2144713 PK04_098126 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G09 compound treatment -0.304 0.218 0.19 -1.823 -1.29 -1.23 -1.423 -0.954565830721003 -0.942849564384733 -1.1423 -0.7319 2141779 PK04_098127 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G10 compound treatment -1.279 -0.757 -0.67 -1.439 -0.906 -0.86 -1.092 -0.623565830721003 -0.615912232492574 -1.2401 -0.9892 2142633 PK04_098128 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G11 compound treatment -1.349 -0.827 -0.73 -1.218 -0.685 -0.65 -1.048 -0.579565830721003 -0.572452285050717 -1.1291 -0.9951 2141711 PK04_098129 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G12 compound treatment -0.528 -0.00555 0.0 -1.426 -0.893 -0.85 -1.056 -0.587565830721003 -0.580354093676509 -0.829 -0.8051 2142689 PK04_098130 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G13 compound treatment -1.382 -0.86 -0.76 -1.343 -0.81 -0.77 -1.767 -1.298565830721 -1.2826273352938 -1.6248 -0.9679 2141802 PK04_098131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G14 compound treatment -1.921 -1.4 -1.24 -1.521 -0.988 -0.94 -1.044 -0.575565830721003 -0.56850138073782 -1.5855 -0.9582 2142905 PK04_098132 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G15 compound treatment -1.278 -0.756 -0.67 -1.111 -0.578 -0.55 -1.241 -0.772565830721003 -0.763083418147957 -1.1441 -0.9915 2141192 PK04_098133 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G16 compound treatment -0.778 -0.256 -0.23 -0.824 -0.291 -0.28 -1.4 -0.931565830721003 -0.92013186458558 -0.8217 -0.8324 2142129 PK04_098134 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G17 compound treatment -0.489 0.0334 0.03 -0.239 0.294 0.28 -0.913 -0.444565830721003 -0.439109264490471 -0.0747 -0.1432 2141728 PK04_098135 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G18 compound treatment 0.895 1.42 1.25 0.323 0.856 0.82 -0.355 0.113434169278997 0.112041887158546 1.259 0.8397 2144641 PK04_098136 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G19 mock treatment -0.58 -0.0576 -0.05 -0.974 -0.441 -0.42 -0.794 -0.325565830721003 -0.321569861181809 -0.4576 -0.8609 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G20 mock treatment -0.36 0.162 0.14 -1.25 -0.717 -0.68 -0.416 0.052434169278997 0.0517905963868794 -0.2815 -0.4022 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G21 compound treatment -1.19 -0.668 -0.59 -1.338 -0.805 -0.77 -1.216 -0.747565830721003 -0.738390266192356 -1.2098 -0.9939 2141885 PK04_098137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G22 compound treatment -1.198 -0.676 -0.6 -1.333 -0.8 -0.76 -1.4 -0.931565830721003 -0.92013186458558 -1.316 -0.9853 2144357 PK04_098138 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G23 compound treatment -0.767 -0.245 -0.22 -0.885 -0.352 -0.34 -1.292 -0.823565830721003 -0.813457448137383 -0.7881 -0.8698 2141361 PK04_098139 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 G24 compound treatment -1.58 -1.06 -0.93 -1.983 -1.45 -1.38 -1.741 -1.272565830721 -1.25694645725998 -2.063 -0.9878 2142625 PK04_098140 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H01 compound treatment 0.563 1.09 0.96 -0.169 0.364 0.35 -0.234 0.234434169278997 0.231556742623655 0.888 0.8487 2142737 PK04_098141 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H02 compound treatment -0.667 -0.145 -0.13 0.356 0.889 0.85 -0.653 -0.184565830721003 -0.182300484152219 0.31 0.3539 2144017 PK04_098142 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H03 mock treatment -0.753 -0.231 -0.2 -0.802 -0.269 -0.26 -0.971 -0.502565830721003 -0.496397377027465 -0.5522 -0.9286 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H04 mock treatment -0.696 -0.174 -0.15 -0.455 0.078 0.07 -0.704 -0.235565830721003 -0.232674514141645 -0.18 -0.624 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H05 compound treatment -0.618 -0.0956 -0.08 -0.279 0.254 0.24 -0.484 -0.015565830721003 -0.0153747769323556 0.0821 0.3196 2143493 PK04_098143 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H06 compound treatment -0.505 0.0174 0.02 -0.614 -0.081 -0.08 -0.963 -0.494565830721003 -0.488495568401673 -0.3177 -0.642 2141857 PK04_098144 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H07 compound treatment -0.205 0.317 0.28 0.581 1.11 1.06 -0.13 0.338434169278997 0.334280254758956 0.9678 0.8433 2143497 PK04_098145 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H08 compound treatment -0.534 -0.0116 -0.01 -0.234 0.299 0.28 -0.362 0.106434169278997 0.105127804610978 0.2193 0.7217 2141183 PK04_098146 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H09 compound treatment -0.523 -5.55E-4 0.0 1.491 2.02 1.56 -0.414 0.054434169278997 0.0537660485433275 0.9331 0.5967 2143289 PK04_098147 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H10 compound treatment -0.079 0.443 0.39 -0.696 -0.163 -0.16 -0.434 0.034434169278997 0.0340115269788466 0.1564 0.3696 2142033 PK04_098148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H11 compound treatment -0.671 -0.149 -0.13 -0.39 0.143 0.14 -0.528 -0.059565830721003 -0.0588347243742136 -0.0311 -0.157 2143345 PK04_098149 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H12 compound treatment -1.756 -1.23 -1.09 -0.677 -0.144 -0.14 -1.393 -0.924565830721003 -0.913217782038012 -1.2361 -0.865 2141965 PK04_098150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H13 compound treatment 1.52 2.04 1.45 0.226 0.759 0.72 0.097 0.565434169278997 0.558494074515814 1.5757 0.9205 2142053 PK04_098151 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H14 compound treatment -0.769 -0.247 -0.22 -0.957 -0.424 -0.4 -1.145 -0.676565830721003 -0.668261714638449 -0.7449 -0.9188 2143285 PK04_098152 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H15 compound treatment -1.463 -0.941 -0.83 -1.762 -1.23 -1.17 -2.158 -1.689565830721 -1.66882823187941 -2.1195 -0.9627 2143953 PK04_098153 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H16 compound treatment -0.41 0.112 0.1 -0.706 -0.173 -0.16 -0.967 -0.498565830721003 -0.492446472714569 -0.322 -0.6091 2142849 PK04_098154 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H17 compound treatment -0.206 0.316 0.28 -0.526 0.00705 0.01 -0.662 -0.193565830721003 -0.191190018856236 0.055 0.1623 2142197 PK04_098155 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H18 compound treatment -0.807 -0.285 -0.25 -1.138 -0.605 -0.58 0.282 0.750434169278997 0.741223398987262 -0.05 -0.0515 2141678 PK04_098156 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H19 mock treatment 0.179 0.701 0.62 -0.621 -0.088 -0.08 -0.112 0.356434169278997 0.352059324166989 0.5129 0.7144 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H20 mock treatment -0.899 -0.377 -0.33 -0.746 -0.213 -0.2 -0.717 -0.248565830721003 -0.245514953158558 -0.4511 -0.9791 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H21 compound treatment 0.402 0.924 0.82 -1.125 -0.592 -0.56 -1.31 -0.841565830721003 -0.831236517545416 -0.3336 -0.2576 2142657 PK04_098157 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H22 compound treatment -0.657 -0.135 -0.12 -0.932 -0.399 -0.38 -0.75 -0.281565830721003 -0.278109913739951 -0.4487 -0.9237 2141194 PK04_098158 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H23 compound treatment -0.521 0.00145 0.0 -0.828 -0.295 -0.28 -0.764 -0.295565830721003 -0.291938078835088 -0.33 -0.8145 2142665 PK04_098159 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 H24 compound treatment -0.8 -0.278 -0.25 -1.338 -0.805 -0.77 -0.936 -0.467565830721003 -0.461826964289624 -0.851 -0.9169 2141813 PK04_098160 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I01 compound treatment -2.703 -2.18 -1.93 -1.386 -0.853 -0.81 -1.092 -0.623565830721003 -0.615912232492574 -1.9378 -0.8885 2141395 PK04_098161 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I02 compound treatment -1.207 -0.685 -0.61 -1.158 -0.625 -0.6 -0.559 -0.090565830721003 -0.089454232799159 -0.7448 -0.8725 2144813 PK04_098162 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I03 compound treatment -1.36 -0.838 -0.74 -1.012 -0.479 -0.46 -1.298 -0.829565830721003 -0.819383804606728 -1.164 -0.9741 2141107 PK04_098163 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I04 compound treatment -0.358 0.164 0.15 -1.128 -0.595 -0.57 -0.714 -0.245565830721003 -0.242551774923886 -0.3833 -0.6052 2142597 PK04_098164 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I05 mock treatment -1.467 -0.945 -0.84 -2.191 -1.66 -1.58 -1.286 -0.817565830721003 -0.807531091668039 -1.8603 -0.9488 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I06 mock treatment -2.027 -1.5 -1.33 -1.194 -0.661 -0.63 -1.939 -1.470565830721 -1.45251622074834 -1.9701 -0.9528 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I07 compound treatment -1.535 -1.01 -0.9 -1.542 -1.01 -0.96 -1.396 -0.927565830721003 -0.916180960272684 -1.6007 -0.9996 2141144 PK04_098165 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I08 compound treatment -0.812 -0.29 -0.26 -1.078 -0.545 -0.52 -0.939 -0.470565830721003 -0.464790142524296 -0.7159 -0.9643 2142693 PK04_098166 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I09 compound treatment -1.471 -0.949 -0.84 -1.266 -0.733 -0.7 -1.383 -0.914565830721003 -0.903340521255771 -1.4089 -0.9945 2141896 PK04_098167 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I10 compound treatment -1.561 -1.04 -0.92 -1.592 -1.06 -1.01 -1.167 -0.698565830721003 -0.689991688359378 -1.5109 -0.9884 2141957 PK04_098168 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I11 compound treatment -0.135 0.387 0.34 -0.866 -0.333 -0.32 -0.639 -0.170565830721003 -0.168472319057082 -0.0826 -0.1665 2141394 PK04_098169 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I12 compound treatment -1.187 -0.665 -0.59 -0.973 -0.44 -0.42 -1.104 -0.635565830721003 -0.627764945431263 -0.9436 -0.9865 2142049 PK04_098170 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I13 compound treatment -2.354 -1.83 -1.62 -1.209 -0.676 -0.64 -1.0 -0.531565830721003 -0.525041433295962 -1.6098 -0.8845 2141346 PK04_098171 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I14 compound treatment -0.725 -0.203 -0.18 -0.607 -0.074 -0.07 -0.487 -0.018565830721003 -0.0183379551670278 -0.1547 -0.8 2143477 PK04_098172 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I15 compound treatment -1.209 -0.687 -0.61 -0.947 -0.414 -0.39 -0.87 -0.401565830721003 -0.396637043126837 -0.8071 -0.9779 2141373 PK04_098173 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I16 compound treatment -0.874 -0.352 -0.31 -1.396 -0.863 -0.82 -0.889 -0.420565830721003 -0.415403838613093 -0.8939 -0.9196 2144645 PK04_098174 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I17 compound treatment -1.536 -1.01 -0.9 -1.27 -0.737 -0.7 -1.373 -0.904565830721003 -0.893463260473531 -1.4385 -0.9941 2141116 PK04_098175 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I18 compound treatment -1.197 -0.675 -0.6 -0.742 -0.209 -0.2 -1.314 -0.845565830721003 -0.835187421858312 -0.9414 -0.9006 2142097 PK04_098176 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I19 compound treatment -1.03 -0.508 -0.45 -0.964 -0.431 -0.41 -0.894 -0.425565830721003 -0.420342469004214 -0.7388 -0.9993 2141442 PK04_098177 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I20 compound treatment -0.937 -0.415 -0.37 -1.378 -0.845 -0.8 -1.213 -0.744565830721003 -0.735427087957684 -1.1009 -0.9571 2142005 PK04_098178 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I21 mock treatment -1.738 -1.22 -1.07 -1.316 -0.783 -0.75 -1.203 -0.734565830721003 -0.725549827175443 -1.47 -0.9827 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I22 mock treatment -1.333 -0.811 -0.72 -1.306 -0.773 -0.74 -1.314 -0.845565830721003 -0.835187421858312 -1.3211 -0.9977 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I23 compound treatment -1.771 -1.25 -1.1 -1.632 -1.1 -1.05 -1.627 -1.158565830721 -1.14434568434244 -1.9024 -0.9993 2141137 PK04_098179 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 I24 compound treatment -1.511 -0.989 -0.87 -0.779 -0.246 -0.23 -1.281 -0.812565830721003 -0.802592461276919 -1.1032 -0.9121 2144905 PK04_098180 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J01 compound treatment -1.042 -0.52 -0.46 -1.171 -0.638 -0.61 -0.809 -0.340565830721003 -0.33638575235517 -0.8103 -0.973 2142853 PK04_098181 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J02 compound treatment -0.908 -0.386 -0.34 -0.75 -0.217 -0.21 -0.872 -0.403565830721003 -0.398612495283285 -0.5463 -0.969 2141434 PK04_098182 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J03 compound treatment -0.703 -0.181 -0.16 -0.528 0.00505 0.0 -0.531 -0.062565830721003 -0.0617979026088857 -0.1251 -0.7303 2142925 PK04_098183 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J04 compound treatment -1.194 -0.672 -0.59 -0.945 -0.412 -0.39 -1.077 -0.608565830721003 -0.601096341319214 -0.9164 -0.9837 2141810 PK04_098184 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J05 mock treatment -1.242 -0.72 -0.64 -0.721 -0.188 -0.18 -0.651 -0.182565830721003 -0.180325031995771 -0.5748 -0.839 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J06 mock treatment -0.9 -0.378 -0.33 -1.065 -0.532 -0.51 -0.789 -0.320565830721003 -0.316631230790689 -0.6681 -0.9761 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J07 compound treatment -0.384 0.138 0.12 0.069 0.602 0.57 -0.723 -0.254565830721003 -0.251441309627902 0.2566 0.4022 2143253 PK04_098185 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J08 compound treatment -1.625 -1.1 -0.97 -1.443 -0.91 -0.87 -1.824 -1.355565830721 -1.33892772175257 -1.8363 -0.9823 2141219 PK04_098186 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J09 compound treatment -1.127 -0.605 -0.53 -0.839 -0.306 -0.29 -1.08 -0.611565830721003 -0.604059519553886 -0.8256 -0.9627 2142945 PK04_098187 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J10 compound treatment -0.729 -0.207 -0.18 -0.82 -0.287 -0.27 -0.86 -0.391565830721003 -0.386759782344596 -0.4866 -0.9585 2141450 PK04_098188 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J11 compound treatment -0.607 -0.0846 -0.07 -0.519 0.014 0.01 -0.852 -0.383565830721003 -0.378857973718804 -0.2542 -0.6578 2144285 PK04_098189 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J12 compound treatment -0.848 -0.326 -0.29 -0.733 -0.2 -0.19 -1.254 -0.785565830721003 -0.77592385716487 -0.7241 -0.8527 2141139 PK04_098190 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J13 compound treatment -1.456 -0.934 -0.83 -1.351 -0.818 -0.78 -1.227 -0.758565830721003 -0.74925525305282 -1.359 -0.9992 2143473 PK04_098191 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J14 compound treatment -0.247 0.275 0.24 -0.322 0.211 0.2 -0.398 0.070434169278997 0.0695696657949121 0.2968 0.918 2144013 PK04_098192 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J15 compound treatment -0.646 -0.124 -0.11 -0.493 0.04 0.04 -0.813 -0.344565830721003 -0.340336656668066 -0.2375 -0.6608 2142837 PK04_098193 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J16 compound treatment -1.121 -0.599 -0.53 -0.917 -0.384 -0.37 -1.098 -0.629565830721003 -0.621838588961919 -0.8757 -0.9788 2141784 PK04_098194 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J17 compound treatment -1.246 -0.724 -0.64 -0.952 -0.419 -0.4 -0.975 -0.506565830721003 -0.500348281340361 -0.8886 -0.982 2144425 PK04_098195 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J18 compound treatment -0.943 -0.421 -0.37 -0.761 -0.228 -0.22 -0.727 -0.258565830721003 -0.255392213940798 -0.4875 -0.9738 2141332 PK04_098196 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J19 compound treatment -0.882 -0.36 -0.32 0.273 0.806 0.77 -0.277 0.191434169278997 0.189084521260021 0.369 0.4329 2143957 PK04_098197 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J20 compound treatment -0.717 -0.195 -0.17 -0.738 -0.205 -0.2 -0.667 -0.198565830721003 -0.196128649247356 -0.3253 -0.9982 2141933 PK04_098198 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J21 mock treatment -0.782 -0.26 -0.23 -0.694 -0.161 -0.15 -0.698 -0.229565830721003 -0.226748157672301 -0.3519 -0.9853 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J22 mock treatment -0.517 0.00545 0.0 -0.837 -0.304 -0.29 -0.857 -0.388565830721003 -0.383796604109924 -0.386 -0.8028 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J23 compound treatment -0.147 0.375 0.33 -0.547 -0.014 -0.01 -0.682 -0.213565830721003 -0.210944540420716 0.0622 0.158 2144049 PK04_098199 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 J24 compound treatment -0.339 0.183 0.16 -0.764 -0.231 -0.22 -0.896 -0.427565830721003 -0.422317921160662 -0.2772 -0.5511 2141196 PK04_098200 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K01 compound treatment -0.561 -0.0386 -0.03 -0.312 0.221 0.21 -1.425 -0.956565830721003 -0.944825016541181 -0.4436 -0.458 2141522 PK04_098201 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K02 compound treatment -0.468 0.0544 0.05 -0.687 -0.154 -0.15 -0.58 -0.111565830721003 -0.110196480441864 -0.1205 -0.6354 2142617 PK04_098202 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K03 compound treatment -1.822 -1.3 -1.15 -1.644 -1.11 -1.06 -1.861 -1.392565830721 -1.37547358664686 -2.0685 -0.9938 2141439 PK04_098203 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K04 compound treatment -0.377 0.145 0.13 -0.419 0.114 0.11 -1.05 -0.581565830721003 -0.574427737207165 -0.1947 -0.3252 2143329 PK04_098204 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K05 compound treatment -0.062 0.46 0.41 -0.418 0.115 0.11 -0.522 -0.053565830721003 -0.0529083679048693 0.2678 0.6302 2141725 PK04_098205 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K06 compound treatment -1.294 -0.772 -0.68 -1.348 -0.815 -0.78 -1.483 -1.014565830721 -1.00211312907818 -1.4206 -0.9869 2142973 PK04_098206 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K07 mock treatment -0.491 0.0314 0.03 -0.533 4.82E-5 0.0 -0.812 -0.343565830721003 -0.339348930589842 -0.1798 -0.5282 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K08 mock treatment -0.513 0.00945 0.01 -1.493 -0.96 -0.91 -0.556 -0.087565830721003 -0.0864910545644869 -0.5731 -0.6239 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K09 compound treatment -1.068 -0.546 -0.48 -1.452 -0.919 -0.88 -1.114 -0.645565830721003 -0.637642206213503 -1.152 -0.9717 2141136 PK04_098207 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K10 compound treatment -1.184 -0.662 -0.58 -1.565 -1.03 -0.98 -1.312 -0.843565830721003 -0.833211969701864 -1.3863 -0.9796 2143005 PK04_098208 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K11 compound treatment -1.193 -0.671 -0.59 -1.466 -0.933 -0.89 -1.414 -0.945565830721003 -0.933960029680717 -1.3946 -0.9828 2141925 PK04_098209 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K12 compound treatment -0.832 -0.31 -0.27 -1.179 -0.646 -0.62 -1.213 -0.744565830721003 -0.735427087957684 -0.9379 -0.9405 2144741 PK04_098210 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K13 compound treatment -0.212 0.31 0.27 -0.373 0.16 0.15 -1.38 -0.911565830721003 -0.900377343021099 -0.2733 -0.2867 2141147 PK04_098211 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K14 compound treatment -0.874 -0.352 -0.31 -0.717 -0.184 -0.18 -0.575 -0.106565830721003 -0.105257850050744 -0.3414 -0.9177 2143465 PK04_098212 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K15 mock treatment -1.519 -0.997 -0.88 -1.333 -0.8 -0.76 -1.481 -1.012565830721 -1.00013767692173 -1.5261 -0.994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K16 mock treatment -1.387 -0.865 -0.76 -1.218 -0.685 -0.65 -1.338 -0.869565830721003 -0.858892847735689 -1.3139 -0.9939 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K17 compound treatment -0.378 0.144 0.13 -0.162 0.371 0.35 -0.275 0.193434169278997 0.19105997341647 0.3881 0.9206 2141530 PK04_098213 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K18 compound treatment -0.62 -0.0976 -0.09 -0.892 -0.359 -0.34 -1.0 -0.531565830721003 -0.525041433295962 -0.5504 -0.8701 2143169 PK04_098214 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K19 compound treatment -0.107 0.415 0.37 -0.463 0.07 0.07 0.246 0.714434169278997 0.705665260171197 0.658 0.8242 2141707 PK04_098215 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K20 compound treatment -0.704 -0.182 -0.16 -2.041 -1.51 -1.44 -0.743 -0.274565830721003 -0.271195831192383 -1.0786 -0.7334 2143073 PK04_098216 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K21 compound treatment -1.208 -0.686 -0.61 -1.838 -1.3 -1.24 -1.63 -1.161565830721 -1.14730886257711 -1.7301 -0.9628 2141428 PK04_098217 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K22 compound treatment -0.918 -0.396 -0.35 -1.074 -0.541 -0.52 -0.861 -0.392565830721003 -0.38774750842282 -0.7233 -0.9859 2142725 PK04_098218 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K23 mock treatment -1.4 -0.878 -0.78 -1.625 -1.09 -1.04 -1.494 -1.025565830721 -1.01297811593864 -1.6334 -0.9922 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 K24 mock treatment -1.376 -0.854 -0.75 -1.61 -1.08 -1.03 -1.295 -0.826565830721003 -0.816420626372055 -1.4994 -0.9911 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L01 compound treatment -0.212 0.31 0.27 -0.061 0.472 0.45 -0.041 0.427434169278997 0.422187875720896 0.6618 0.9803 2143889 PK04_098219 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L02 compound treatment -0.595 -0.0726 -0.06 -0.531 0.00205 0.0 -0.786 -0.317565830721003 -0.313668052556017 -0.217 -0.6778 2141700 PK04_098220 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L03 compound treatment 0.055 0.577 0.51 -1.138 -0.605 -0.58 -1.305 -0.836565830721003 -0.826297887154296 -0.515 -0.456 2142733 PK04_098221 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L04 compound treatment -0.379 0.143 0.13 -0.605 -0.072 -0.07 -0.61 -0.141565830721003 -0.139828262788585 -0.0471 -0.2344 2141934 PK04_098222 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L05 compound treatment -1.0 -0.478 -0.42 -1.479 -0.946 -0.9 -1.559 -1.090565830721 -1.0771803110232 -1.386 -0.9451 2143873 PK04_098223 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L06 compound treatment -0.567 -0.0446 -0.04 -1.016 -0.483 -0.46 -0.29 0.178434169278997 0.176244082243109 -0.1866 -0.3776 2141797 PK04_098224 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L07 mock treatment -0.472 0.0504 0.04 -0.662 -0.129 -0.12 0.201 0.669434169278997 0.661217586651115 0.3366 0.4994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L08 mock treatment -0.551 -0.0286 -0.03 -0.341 0.192 0.18 -0.978 -0.509565830721003 -0.503311459575033 -0.1995 -0.3722 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L09 compound treatment -1.323 -0.801 -0.71 -0.554 -0.021 -0.02 -0.899 -0.430565830721003 -0.425281099395334 -0.6657 -0.806 2142957 PK04_098225 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L10 compound treatment -0.781 -0.259 -0.23 -1.246 -0.713 -0.68 -1.0 -0.531565830721003 -0.525041433295962 -0.8272 -0.9312 3413983 PK04_098226 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L11 compound treatment -0.377 0.145 0.13 -0.356 0.177 0.17 -0.6 -0.131565830721003 -0.129951002006345 0.0966 0.3883 2142717 PK04_098227 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L12 compound treatment -0.68 -0.158 -0.14 -0.892 -0.359 -0.34 -0.564 -0.0955658307210029 -0.0943928631902791 -0.3323 -0.872 3413985 PK04_098228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L13 compound treatment -0.239 0.283 0.25 0.152 0.685 0.65 -0.405 0.063434169278997 0.0626555832473438 0.5576 0.7945 2143357 PK04_098229 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L14 compound treatment -1.02 -0.498 -0.44 -0.699 -0.166 -0.16 -1.0 -0.531565830721003 -0.525041433295962 -0.6484 -0.9223 3413987 PK04_098230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L15 mock treatment -1.244 -0.722 -0.64 -1.0 -0.467 -0.44 -1.128 -0.659565830721003 -0.65147037130864 -1.0013 -0.9869 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L16 mock treatment -0.774 -0.252 -0.22 -0.685 -0.152 -0.14 -0.55 -0.081565830721003 -0.0805646980951426 -0.2585 -0.9321 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L17 compound treatment -1.26 -0.738 -0.65 -1.4 -0.867 -0.83 -1.563 -1.094565830721 -1.0811312153361 -1.4775 -0.9793 2143089 PK04_098231 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L18 compound treatment -0.896 -0.374 -0.33 -1.429 -0.896 -0.85 -1.03 -0.561565830721003 -0.554673215642684 -1.0037 -0.9379 3413990 PK04_098232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L19 compound treatment 0.03 0.552 0.49 -0.026 0.507 0.48 -0.368 0.100434169278997 0.0992014481416335 0.6181 0.8906 2144137 PK04_098233 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L20 compound treatment -0.886 -0.364 -0.32 -1.286 -0.753 -0.72 -1.35 -0.881565830721003 -0.870745560674378 -1.1024 -0.9398 3413992 PK04_098234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L21 compound treatment -0.809 -0.287 -0.25 -0.864 -0.331 -0.32 -0.953 -0.484565830721003 -0.478618307619432 -0.6046 -0.9649 2143369 PK04_098235 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L22 compound treatment -0.525 -0.00255 0.0 -1.463 -0.93 -0.89 -0.951 -0.482565830721003 -0.476642855462984 -0.788 -0.7833 3413998 PK04_098236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5cccc(Br)c5)C/C=C/C[C@@H](Cc6cccc(Br)c6)C(=O)O[C@@H]14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L23 mock treatment -0.863 -0.341 -0.3 -1.153 -0.62 -0.59 -1.159 -0.690565830721003 -0.682089879733585 -0.9086 -0.9553 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 L24 mock treatment -1.245 -0.723 -0.64 -1.909 -1.38 -1.31 -1.177 -0.708565830721003 -0.699868949141618 -1.5297 -0.9457 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M01 compound treatment -1.234 -0.712 -0.63 -0.831 -0.298 -0.28 -0.747 -0.278565830721003 -0.275146735505279 -0.6859 -0.9232 2141977 PK04_098237 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M02 compound treatment -1.237 -0.715 -0.63 -1.127 -0.594 -0.57 -0.744 -0.275565830721003 -0.272183557270607 -0.8486 -0.9527 2144277 PK04_098238 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M03 compound treatment -1.186 -0.664 -0.59 -0.537 -0.00395 0.0 -0.855 -0.386565830721003 -0.381821151953476 -0.5613 -0.8019 2143353 PK04_098239 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M04 compound treatment -1.354 -0.832 -0.74 -1.519 -0.986 -0.94 -0.806 -0.337565830721003 -0.333422574120498 -1.1592 -0.936 2142753 PK04_098240 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M05 compound treatment -2.368 -1.85 -1.63 -1.612 -1.08 -1.03 -1.833 -1.364565830721 -1.34781725645659 -2.3136 -0.9834 2142713 PK04_098241 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M06 compound treatment -1.158 -0.636 -0.56 -0.644 -0.111 -0.11 -1.531 -1.062565830721 -1.04952398083293 -0.9914 -0.8295 2143893 PK04_098242 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M07 compound treatment -1.22 -0.698 -0.62 -1.018 -0.485 -0.46 -0.907 -0.438565830721003 -0.433182908021126 -0.8729 -0.9875 2143173 PK04_098243 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M08 compound treatment -1.375 -0.853 -0.75 -1.896 -1.36 -1.3 -1.841 -1.372565830721 -1.35571906508238 -1.9675 -0.9726 2143913 PK04_098244 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M09 mock treatment -1.549 -1.03 -0.91 -1.396 -0.863 -0.82 -0.983 -0.514565830721003 -0.508250089966154 -1.2921 -0.9745 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M10 mock treatment -1.39 -0.868 -0.77 -1.208 -0.675 -0.64 -1.106 -0.637565830721003 -0.629740397587711 -1.1776 -0.9959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M11 compound treatment -1.135 -0.613 -0.54 -1.327 -0.794 -0.76 -0.942 -0.473565830721003 -0.467753320758968 -1.0194 -0.979 2143965 PK04_098245 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M12 compound treatment -0.75 -0.228 -0.2 -0.472 0.061 0.06 -0.646 -0.177565830721003 -0.175386401604651 -0.1838 -0.673 2144453 PK04_098246 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M13 mock treatment -1.506 -0.984 -0.87 -0.863 -0.33 -0.31 -0.901 -0.432565830721003 -0.427256551551782 -0.9302 -0.9132 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M14 mock treatment -1.062 -0.54 -0.48 -0.851 -0.318 -0.3 -0.461 0.00743416927899698 0.00734292286679736 -0.446 -0.7893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M15 compound treatment -1.595 -1.07 -0.95 -1.11 -0.577 -0.55 -1.138 -0.669565830721003 -0.66134763209088 -1.2466 -0.9739 2142065 PK04_098247 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M16 compound treatment -1.672 -1.15 -1.02 -2.073 -1.54 -1.47 -1.289 -0.820565830721003 -0.810494269902711 -1.9017 -0.9702 2143293 PK04_098248 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M17 compound treatment -1.375 -0.853 -0.75 -1.139 -0.606 -0.58 -1.03 -0.561565830721003 -0.554673215642684 -1.0887 -0.9901 2142857 PK04_098249 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M18 compound treatment -0.833 -0.311 -0.27 -0.667 -0.134 -0.13 -1.51 -1.041565830721 -1.02878173319022 -0.8262 -0.7704 2142613 PK04_098250 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M19 compound treatment -0.161 0.361 0.32 -0.379 0.154 0.15 -0.231 0.237434169278997 0.234519920858328 0.4046 0.9573 2142697 PK04_098251 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M20 compound treatment -1.245 -0.723 -0.64 -1.259 -0.726 -0.69 -1.182 -0.713565830721003 -0.704807579532738 -1.175 -0.9991 2144821 PK04_098252 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M21 compound treatment -1.882 -1.36 -1.2 -1.824 -1.29 -1.23 -1.377 -0.908565830721003 -0.897414164786427 -1.9221 -0.9909 2142965 PK04_098253 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M22 compound treatment -1.27 -0.748 -0.66 -1.481 -0.948 -0.9 -1.114 -0.645565830721003 -0.637642206213503 -1.2711 -0.9869 2144777 PK04_098254 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M23 compound treatment -1.692 -1.17 -1.03 -1.489 -0.956 -0.91 -1.38 -0.911565830721003 -0.900377343021099 -1.6426 -0.998 2141143 PK04_098255 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 M24 compound treatment -0.94 -0.418 -0.37 -1.06 -0.527 -0.5 -0.831 -0.362565830721003 -0.358115726076099 -0.7097 -0.9875 2144937 PK04_098256 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N01 compound treatment -1.077 -0.555 -0.49 -1.093 -0.56 -0.53 -1.066 -0.597565830721003 -0.590231354458749 -0.9318 -0.9971 2144901 PK04_098257 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N02 compound treatment -0.588 -0.0656 -0.06 -0.511 0.022 0.02 -0.451 0.017434169278997 0.0172201836490378 -0.0114 -0.178 3413999 PK04_098258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N03 compound treatment -1.463 -0.941 -0.83 -1.032 -0.499 -0.48 -1.271 -0.802565830721003 -0.792715200494678 -1.2122 -0.975 2143297 PK04_098259 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N04 compound treatment -1.38 -0.858 -0.76 -0.789 -0.256 -0.24 -1.469 -1.000565830721 -0.988284963983039 -1.1491 -0.9053 3414005 PK04_098260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N05 compound treatment -1.094 -0.572 -0.51 -1.209 -0.676 -0.64 -0.857 -0.388565830721003 -0.383796604109924 -0.8851 -0.979 2142017 PK04_098261 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N06 compound treatment -1.817 -1.29 -1.14 -1.765 -1.23 -1.17 -1.857 -1.388565830721 -1.37152268233397 -2.1302 -0.9967 3188747 PK04_098262 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)CCc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N07 compound treatment -1.259 -0.737 -0.65 -0.649 -0.116 -0.11 -0.384 0.084434169278997 0.0833978308900488 -0.3916 -0.5882 2143017 PK04_098263 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N08 compound treatment -1.559 -1.04 -0.92 -1.156 -0.623 -0.59 -0.825 -0.356565830721003 -0.352189369606755 -1.0751 -0.9371 3188748 PK04_098264 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N09 mock treatment -0.859 -0.337 -0.3 -0.627 -0.094 -0.09 -0.704 -0.235565830721003 -0.232674514141645 -0.3578 -0.9217 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N10 mock treatment -0.947 -0.425 -0.38 -0.981 -0.448 -0.43 -0.969 -0.500565830721003 -0.494421924871017 -0.7485 -0.9937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N11 compound treatment -0.711 -0.189 -0.17 -0.528 0.00505 0.0 -0.815 -0.346565830721003 -0.342312108824514 -0.2911 -0.7645 2144265 PK04_098265 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N12 compound treatment -0.952 -0.43 -0.38 -1.07 -0.537 -0.51 -1.104 -0.635565830721003 -0.627764945431263 -0.877 -0.9806 3069249 PK04_098266 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3c(OC)cccc3OC)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N13 mock treatment -1.506 -0.984 -0.87 -1.315 -0.782 -0.74 -1.157 -0.688565830721003 -0.680114427577137 -1.3248 -0.9948 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N14 mock treatment -0.824 -0.302 -0.27 -0.619 -0.086 -0.08 -0.649 -0.180565830721003 -0.178349579839323 -0.3042 -0.9188 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N15 compound treatment -1.36 -0.838 -0.74 -1.0 -0.467 -0.44 -1.114 -0.645565830721003 -0.637642206213503 -1.0525 -0.9803 2143165 PK04_098267 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N16 compound treatment -1.643 -1.12 -0.99 -1.192 -0.659 -0.63 -1.333 -0.864565830721003 -0.853954217344569 -1.4274 -0.9839 3188751 PK04_098268 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N17 compound treatment -0.951 -0.429 -0.38 -0.849 -0.316 -0.3 -0.075 0.393434169278997 0.388605189061278 -0.1682 -0.271 2144365 PK04_098269 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N18 compound treatment -1.288 -0.766 -0.68 -1.052 -0.519 -0.49 -0.846 -0.377565830721003 -0.37293161724946 -0.8915 -0.9718 3188752 PK04_098270 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N19 compound treatment -0.482 0.0404 0.04 -0.132 0.401 0.38 0.375 0.843434169278997 0.833081924262098 0.7222 0.7874 2142105 PK04_098271 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N20 compound treatment -1.254 -0.732 -0.65 -1.177 -0.644 -0.61 -0.903 -0.434565830721003 -0.42923200370823 -0.9754 -0.9859 3068687 PK04_098272 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(OC)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N21 compound treatment -1.452 -0.93 -0.82 -1.157 -0.624 -0.59 -1.462 -0.993565830721003 -0.981370881435471 -1.3843 -0.9808 2144245 PK04_098273 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N22 compound treatment -1.132 -0.61 -0.54 -0.95 -0.417 -0.4 -1.015 -0.546565830721003 -0.539857324469323 -0.8522 -0.9908 3068689 PK04_098274 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N23 compound treatment -0.306 0.216 0.19 -0.694 -0.161 -0.15 -0.441 0.027434169278997 0.0270974444312783 0.0376 0.1524 2143153 PK04_098275 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 N24 compound treatment -0.825 -0.303 -0.27 -0.946 -0.413 -0.39 -1.062 -0.593565830721003 -0.586280450145853 -0.7201 -0.9537 3188876 PK04_098276 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O01 compound treatment 0.08 0.602 0.53 0.583 1.12 1.06 -1.195 -0.726565830721003 -0.717648018549651 0.507 0.365 2143373 PK04_098277 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O02 compound treatment -0.764 -0.242 -0.21 -0.922 -0.389 -0.37 -1.049 -0.580565830721003 -0.57344001112894 -0.6683 -0.9342 2142209 PK04_098278 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O03 compound treatment -1.725 -1.2 -1.06 -1.271 -0.738 -0.7 -1.329 -0.860565830721003 -0.850003313031673 -1.5105 -0.9859 2144345 PK04_098279 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O04 compound treatment -0.955 -0.433 -0.38 -1.141 -0.608 -0.58 -1.646 -1.177565830721 -1.16311247982869 -1.2267 -0.9057 2142673 PK04_098280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O05 compound treatment 0.705 1.23 1.09 0.164 0.697 0.66 -0.059 0.409434169278997 0.404408806312863 1.2434 0.9314 2143977 PK04_098281 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O06 compound treatment -1.059 -0.537 -0.47 -0.91 -0.377 -0.36 -1.159 -0.690565830721003 -0.682089879733585 -0.875 -0.9667 2142077 PK04_098282 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O07 compound treatment -0.641 -0.119 -0.1 -0.257 0.276 0.26 -0.625 -0.156565830721003 -0.154644153961946 0.002 0.0063 2141985 PK04_098283 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O08 compound treatment -0.342 0.18 0.16 0.861 1.39 1.33 -0.355 0.113434169278997 0.112041887158546 0.9235 0.688 2143485 PK04_098284 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O09 compound treatment -0.963 -0.441 -0.39 -1.231 -0.698 -0.66 -1.27 -0.801565830721003 -0.791727474416454 -1.0659 -0.9647 2144665 PK04_098285 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O10 compound treatment -1.162 -0.64 -0.57 -1.705 -1.17 -1.12 -1.04 -0.571565830721003 -0.564550476424924 -1.297 -0.9447 2143273 PK04_098286 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O11 mock treatment -1.11 -0.588 -0.52 -0.955 -0.422 -0.4 -0.988 -0.519565830721003 -0.513188720357274 -0.8283 -0.9937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O12 mock treatment -1.031 -0.509 -0.45 -0.71 -0.177 -0.17 -0.882 -0.413565830721003 -0.408489756065525 -0.5928 -0.9402 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O13 compound treatment -1.006 -0.484 -0.43 -0.558 -0.025 -0.02 -1.487 -1.018565830721 -1.00606403339107 -0.8414 -0.7695 2144773 PK04_098287 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O14 compound treatment -1.12 -0.598 -0.53 -1.229 -0.696 -0.66 -1.193 -0.724565830721003 -0.715672566393203 -1.101 -0.9924 2143945 PK04_098288 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O15 compound treatment -1.405 -0.883 -0.78 -1.221 -0.688 -0.66 -1.24 -0.771565830721003 -0.762095692069733 -1.2689 -0.9972 2144317 PK04_098289 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O16 compound treatment -1.594 -1.07 -0.95 -1.468 -0.935 -0.89 -2.035 -1.566565830721 -1.54733792425785 -1.9546 -0.967 2143905 PK04_098290 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O17 compound treatment -0.979 -0.457 -0.4 -0.662 -0.129 -0.12 -0.679 -0.210565830721003 -0.207981362186044 -0.424 -0.9015 2143917 PK04_098291 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O18 compound treatment -1.099 -0.577 -0.51 -1.314 -0.781 -0.74 -1.026 -0.557565830721003 -0.550722311329788 -1.0418 -0.9859 2144253 PK04_098292 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O19 compound treatment -0.421 0.101 0.09 -0.669 -0.136 -0.13 -0.533 -0.064565830721003 -0.0637733547653338 -0.0598 -0.3519 2144105 PK04_098293 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O20 compound treatment -0.5 0.0224 0.02 -1.386 -0.853 -0.81 -0.492 -0.023565830721003 -0.023276585558148 -0.4711 -0.5794 2144293 PK04_098294 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O21 compound treatment -0.216 0.306 0.27 -1.571 -1.04 -0.99 -1.309 -0.840565830721003 -0.830248791467192 -0.8938 -0.6775 2142997 PK04_098295 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O22 compound treatment -0.693 -0.171 -0.15 -1.151 -0.618 -0.59 -0.62 -0.151565830721003 -0.149705523570826 -0.5134 -0.8203 2144737 PK04_098296 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O23 compound treatment -1.688 -1.17 -1.03 -1.507 -0.974 -0.93 -1.5 -1.031565830721 -1.01890447240798 -1.7189 -0.9989 2141452 PK04_098297 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 O24 compound treatment -0.721 -0.199 -0.18 -0.84 -0.307 -0.29 -0.862 -0.393565830721003 -0.388735234501044 -0.4946 -0.9564 2142677 PK04_098298 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P01 compound treatment -0.5 0.0224 0.02 -0.081 0.452 0.43 0.772 1.240434169279 1.22520917731704 0.9675 0.7449 2144005 PK04_098299 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P02 compound treatment -0.187 0.335 0.3 -1.608 -1.07 -1.02 0.602 1.070434169279 1.05729574401896 0.1904 0.1268 3068772 PK04_098300 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(C#N)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P03 compound treatment -1.256 -0.734 -0.65 -1.756 -1.22 -1.17 -1.803 -1.334565830721 -1.31818547410987 -1.8081 -0.9643 2142593 PK04_098301 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P04 compound treatment -0.923 -0.401 -0.35 -1.518 -0.985 -0.94 -1.126 -0.657565830721003 -0.649494919152192 -1.1212 -0.9383 3000699 PK04_098302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P05 compound treatment -0.496 0.0264 0.02 -1.933 -1.4 -1.33 -0.723 -0.254565830721003 -0.251441309627902 -0.9017 -0.6643 2144921 PK04_098303 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P06 compound treatment -0.978 -0.456 -0.4 -1.015 -0.482 -0.46 2.549 3.017434169279 1.72508744331727 0.4984 0.2723 3000700 PK04_098304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P07 compound treatment -0.606 -0.0836 -0.07 -1.39 -0.857 -0.82 -0.365 0.103434169278997 0.102164626376306 -0.455 -0.5508 2143937 PK04_098305 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P08 compound treatment -0.73 -0.208 -0.18 -0.976 -0.443 -0.42 0.722 1.190434169279 1.17582287340584 0.3293 0.2608 3000701 PK04_098306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P09 compound treatment -0.243 0.279 0.25 -1.068 -0.535 -0.51 -0.91 -0.441565830721003 -0.436146086255798 -0.4034 -0.5643 2144785 PK04_098307 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P10 compound treatment -0.681 -0.159 -0.14 -1.5 -0.967 -0.92 -1.124 -0.655565830721003 -0.647519466995744 -0.9866 -0.8695 3089322 PK04_098308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P11 mock treatment -0.691 -0.169 -0.15 -0.594 -0.061 -0.06 -0.647 -0.178565830721003 -0.176374127682875 -0.2214 -0.9299 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P12 mock treatment -0.687 -0.165 -0.15 -1.132 -0.599 -0.57 -0.607 -0.138565830721003 -0.136865084553913 -0.4924 -0.8146 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P13 compound treatment 0.074 0.596 0.53 -0.341 0.192 0.18 -0.6 -0.131565830721003 -0.129951002006345 0.335 0.5846 2144213 PK04_098309 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P14 compound treatment -1.187 -0.665 -0.59 -1.152 -0.619 -0.59 -1.081 -0.612565830721003 -0.60504724563211 -1.029 -0.9999 3089323 PK04_098310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P15 compound treatment -1.61 -1.09 -0.96 -1.364 -0.831 -0.79 -1.338 -0.869565830721003 -0.858892847735689 -1.508 -0.9968 2144225 PK04_098311 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P16 compound treatment -0.848 -0.326 -0.29 -1.023 -0.49 -0.47 -0.427 0.041434169278997 0.0409256095264149 -0.412 -0.7493 3000703 PK04_098312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P17 compound treatment -0.323 0.199 0.18 -1.474 -0.941 -0.9 -0.397 0.071434169278997 0.0705573918731362 -0.375 -0.4093 2141953 PK04_098313 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P18 compound treatment -0.411 0.111 0.1 -0.758 -0.225 -0.21 -0.555 -0.086565830721003 -0.0855033284862628 -0.1162 -0.4632 3000704 PK04_098314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)c4cc5ccccc5[nH]4)[C@H]1OC(=O)c6cc7ccccc7[nH]6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P19 compound treatment 0.481 1.0 0.89 0.146 0.679 0.65 -0.66 -0.191565830721003 -0.189214566699787 0.7764 0.6969 2143337 PK04_098315 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P20 compound treatment -1.15 -0.628 -0.55 -1.186 -0.653 -0.62 -1.427 -0.958565830721003 -0.946800468697629 -1.2261 -0.972 3089326 PK04_098316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P21 compound treatment -0.642 -0.12 -0.11 -1.0 -0.467 -0.44 -1.101 -0.632565830721003 -0.624801767196591 -0.6786 -0.8765 2143233 PK04_098317 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P22 compound treatment -0.675 -0.153 -0.13 -1.477 -0.944 -0.9 -0.009 0.459434169278997 0.453795110224065 -0.3351 -0.3297 3089328 PK04_098318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P23 compound treatment -0.43 0.0924 0.08 -1.043 -0.51 -0.49 -1.146 -0.677565830721003 -0.669249440716673 -0.6197 -0.7457 2142969 PK04_098319 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2098 P24 compound treatment -0.578 -0.0556 -0.05 -0.161 0.372 0.35 -0.381 0.087434169278997 0.0863610091247209 0.2261 0.6143 3189006 PK04_098320 CC(C)[Si](OCCCNS(=O)(=O)c1ccc(Br)cc1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A01 mock treatment -0.618 -0.0956 -0.08 0.232 0.765 0.73 -0.211 0.257434169278997 0.254274442422808 0.5188 0.6681 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A02 mock treatment -0.298 0.224 0.2 -0.457 0.076 0.07 -0.208 0.260434169278997 0.257237620657481 0.3049 0.916 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A03 compound treatment -1.339 -0.817 -0.72 -1.069 -0.536 -0.51 -1.118 -0.649565830721003 -0.6415931105264 -1.082 -0.9904 3076292 SMP2_000001 C[C@H](CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A04 compound treatment 1.938 2.46 1.51 2.148 2.68 1.66 1.929 2.397434169279 1.64504074692195 2.7762 0.9991 170 SMP2_000002 CCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A05 compound treatment 1.157 1.68 1.38 0.932 1.47 1.4 1.107 1.575434169279 1.48022977922465 2.4577 0.9995 3076293 SMP2_000003 CN(C)CC/C=C/1\c2ccccc2CC(O)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A06 compound treatment -1.967 -1.44 -1.28 -0.851 -0.318 -0.3 -1.98 -1.511565830721 -1.49301298995553 -1.7742 -0.8925 2153 SMP2_000004 C[C@@H]1[C@@H](OC(=O)/C=C/C=C/c2ccccc2)[C@@]3(OC4(O[C@@H]3[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O4)c8ccccc8)C(=C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A07 compound treatment -0.242 0.28 0.25 -0.484 0.049 0.05 -0.571 -0.102565830721003 -0.101306945737847 0.1116 0.4106 3471112 SMP2_000005 CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A08 compound treatment 0.4 0.922 0.82 0.339 0.872 0.83 0.25 0.718434169278997 0.709616164484093 1.3602 0.9977 2199 SMP2_000006 CC(C(C)c1ccc(O)cn1)C(N)C(=O)NC([C@H]2O[C@H]([C@@H](O)[C@H]2O)N3C=CC(=O)CC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A09 compound treatment -0.697 -0.175 -0.15 -0.149 0.384 0.37 -0.544 -0.075565830721003 -0.0746383416257983 0.079 0.1956 698 SMP2_000007 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A10 compound treatment 3.122 3.64 1.62 6.188 6.72 1.9 2.206 2.674434169279 1.68401221999338 3.0012 0.9977 3199281 SMP2_000008 CC(=C[C@@H](O)C1=C[C@@H](O)[C@@H]2O[C@@H]2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A11 compound treatment -0.5 0.0224 0.02 -0.708 -0.175 -0.17 -0.52 -0.051565830721003 -0.0509329157484212 -0.1142 -0.6509 1001979 SMP2_000009 NCCC[C@H](N)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A12 compound treatment -0.923 -0.401 -0.35 -0.761 -0.228 -0.22 -0.911 -0.442565830721003 -0.437133812334022 -0.5822 -0.9655 3199282 SMP2_000010 C[C@@H]1[C@@H](OC(=O)C)[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@]4(O)[C@@H](C=C(C)C4=O)[C@]13O)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A13 compound treatment 0.329 0.851 0.75 0.58 1.11 1.06 0.378 0.846434169278997 0.83604510249677 1.5295 0.9894 1497 SMP2_000011 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A14 compound treatment -0.6 -0.0776 -0.07 -0.481 0.052 0.05 -0.418 0.050434169278997 0.0498151442304313 0.0178 0.1813 1000212 SMP2_000012 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A15 compound treatment 0.0 0.522 0.46 -0.235 0.298 0.28 -0.06 0.408434169278997 0.403421080234639 0.6635 0.9818 3199283 SMP2_000013 COC1/C=C\OC2(C)Oc3c(C2=O)c4c(O)cc(NC(=O)\C(=C/C=C\C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(O)c4c(O)c3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A16 compound treatment -0.306 0.216 0.19 -0.246 0.287 0.27 -0.024 0.444434169278997 0.438979219050705 0.5218 0.9462 2267 SMP2_000014 CO[C@H]1[C@H](O)C(O)[C@@H](OC1CO)n2c3c(Cl)cccc3c4c5C(=O)NC(=O)c5c6c7cccc(Cl)c7[nH]c6c24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A17 compound treatment -0.143 0.379 0.34 0.154 0.687 0.65 0.238 0.706434169278997 0.697763451545404 0.9744 0.9612 706 SMP2_000015 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A18 compound treatment -0.705 -0.183 -0.16 0.029 0.562 0.54 -0.633 -0.164565830721003 -0.162545962587738 0.1221 0.2097 1098997 SMP2_000016 CCC1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A19 compound treatment 0.013 0.535 0.47 -0.344 0.189 0.18 -0.535 -0.066565830721003 -0.0657488069217819 0.3393 0.6644 1001956 SMP2_000017 CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A20 compound treatment -1.273 -0.751 -0.66 -1.016 -0.483 -0.46 -1.02 -0.551565830721003 -0.544795954860443 -0.9633 -0.9889 1912779 SMP2_000018 CC(NC(=O)c1ccccc1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A21 compound treatment 2.431 2.95 1.56 2.042 2.58 1.64 1.659 2.127434169279 1.60055290852755 2.7743 0.9998 230 SMP2_000019 CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A22 compound treatment -0.769 -0.247 -0.22 -0.745 -0.212 -0.2 -0.66 -0.191565830721003 -0.189214566699787 -0.3517 -0.9983 464 SMP2_000020 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A23 compound treatment -0.63 -0.108 -0.1 -1.082 -0.549 -0.52 -1.058 -0.589565830721003 -0.582329545832957 -0.693 -0.879 548 SMP2_000021 N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2cc(I)c3c(N)ncnc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 A24 compound treatment 0.459 0.981 0.87 0.315 0.848 0.81 0.427 0.895434169278997 0.884443680329749 1.478 0.9993 3199284 SMP2_000022 C/C(=C/CNc1ncnc2[nH]cnc12)/CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B01 mock treatment -0.616 -0.0936 -0.08 -0.637 -0.104 -0.1 -0.5 -0.031565830721003 -0.0311783941839403 -0.1229 -0.9261 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B02 mock treatment -0.781 -0.259 -0.23 -0.5 0.033 0.03 -0.625 -0.156565830721003 -0.154644153961946 -0.2031 -0.7311 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B03 compound treatment -0.643 -0.121 -0.11 -0.828 -0.295 -0.28 -0.959 -0.490565830721003 -0.484544664088777 -0.5035 -0.8831 1001866 SMP2_000023 NC(CCCNC(=N)N)C(=O)CC(Cc1ccccc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B04 compound treatment -0.58 -0.0576 -0.05 -0.383 0.15 0.14 -0.739 -0.270565830721003 -0.267244926879487 -0.1011 -0.3291 3076299 SMP2_000024 C[C@@H]1CCOC(=O)/C=C\C=C/C(=O)O[C@@H]2C[C@@H]3OC4C=C(C)CCC4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B05 compound treatment -1.22 -0.698 -0.62 -1.233 -0.7 -0.67 -1.048 -0.579565830721003 -0.572452285050717 -1.0715 -0.9981 3199377 SMP2_000025 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(=C/C[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C(=C/C[C@H](O)C[C@H]4O[C@@H](CC=C4)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)/C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H]5C[C@@H](C[C@H](C)O5)OC)/C)C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B06 compound treatment -0.448 0.0744 0.07 -0.53 0.00305 0.0 -0.463 0.00543416927899698 0.00536747071034927 0.0428 0.6471 3076300 SMP2_000026 CC1(C)C(O)C2(C)CCC1C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B07 compound treatment -1.327 -0.805 -0.71 -0.985 -0.452 -0.43 -0.857 -0.388565830721003 -0.383796604109924 -0.8808 -0.9619 3199378 SMP2_000027 CC(CO)C1CC(O)C2(C)OC3CC4OC5CC6(C)OC7CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)CC=CC4OC3CC2O1)OC(=O)C=C%11C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B08 compound treatment 0.097 0.619 0.55 0.07 0.603 0.57 0.172 0.640434169278997 0.632573530382617 1.0131 0.9982 3076301 SMP2_000028 Cn1cc(C[C@@H](N)C(=O)O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B09 compound treatment -1.528 -1.01 -0.89 -1.212 -0.679 -0.65 -1.456 -0.987565830721003 -0.975444524966126 -1.4499 -0.9865 28 SMP2_000029 CNc1ccc2oc(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]4C)nc2c1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B10 compound treatment -0.673 -0.151 -0.13 -1.016 -0.483 -0.46 -1.149 -0.680565830721003 -0.672212618951345 -0.7306 -0.8851 3199379 SMP2_000030 CC(C)CC(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B11 compound treatment -0.701 -0.179 -0.16 -0.615 -0.082 -0.08 -0.632 -0.163565830721003 -0.161558236509514 -0.2295 -0.9603 2006 SMP2_000031 O[C@H]1C2OC2[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B12 compound treatment -0.25 0.272 0.24 -0.514 0.019 0.02 -0.712 -0.243565830721003 -0.240576322767438 0.0106 0.0312 3076303 SMP2_000032 CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B13 compound treatment -0.082 0.44 0.39 -0.267 0.266 0.25 0.205 0.673434169278997 0.665168490964011 0.7552 0.9308 3076304 SMP2_000033 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C/2\C(=O)Nc3ccc(Cl)cc23)c1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B14 compound treatment -0.099 0.423 0.37 -0.537 -0.00395 0.0 -0.432 0.036434169278997 0.0359869791352947 0.2347 0.6241 1000114 SMP2_000034 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B15 compound treatment -0.918 -0.396 -0.35 -0.972 -0.439 -0.42 -1.038 -0.569565830721003 -0.562575024268476 -0.7681 -0.9806 277 SMP2_000035 OC[C@H]1O[C@H]([C@H](O)[C@H]1O)n2cnc3cc(Cl)c(Cl)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B16 compound treatment -0.154 0.368 0.33 -0.085 0.448 0.43 -0.186 0.282434169278997 0.27896759437841 0.5956 0.9843 3076306 SMP2_000036 CC(=O)c1ccc(cc1O)N2CCOCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B17 compound treatment 1.67 2.19 1.47 1.281 1.81 1.52 1.729 2.197434169279 1.61280169708089 2.6599 0.9993 2095622 SMP2_000037 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)c2ccccc2oc1=O)/C)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B18 compound treatment -0.414 0.108 0.1 -0.425 0.108 0.1 -0.773 -0.304565830721003 -0.300827613539104 -0.0589 -0.1774 1670 SMP2_000038 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B19 compound treatment -0.964 -0.442 -0.39 -0.955 -0.422 -0.4 -0.523 -0.054565830721003 -0.0538960939830934 -0.4886 -0.8679 2090 SMP2_000039 CCOC(=O)C(C#N)C1C(=C(N)Oc2ccc(Br)cc12)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B20 compound treatment 0.426 0.948 0.84 0.672 1.21 1.15 1.0 1.468434169279 1.45041072315213 1.9843 0.977 1096696 SMP2_000040 Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B21 compound treatment -0.559 -0.0366 -0.03 -0.316 0.217 0.21 -0.623 -0.154565830721003 -0.152668701805498 0.0126 0.0486 3199380 SMP2_000041 NC1=NC(=O)/C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)/N1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B22 compound treatment -0.529 -0.00655 -0.01 -0.833 -0.3 -0.29 -0.803 -0.334565830721003 -0.330459395885826 -0.3591 -0.8219 2137 SMP2_000042 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B23 compound treatment -0.485 0.0374 0.03 -0.436 0.097 0.09 -0.743 -0.274565830721003 -0.271195831192383 -0.0841 -0.2915 3104545 SMP2_000043 CC1CC(C)/C=C(/C)\CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c(Br)[nH]c3ccccc23)C(=O)NC(CC(=O)O1)c4ccc(O)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 B24 compound treatment -1.926 -1.4 -1.24 -2.12 -1.59 -1.51 -2.131 -1.662565830721 -1.64215962776736 -2.5374 -0.9936 907437 SMP2_000044 CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@@H](N)CCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C01 mock treatment -0.552 -0.0296 -0.03 -0.506 0.027 0.03 -0.4 0.068434169278997 0.067594213638464 0.0388 0.5047 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C02 mock treatment -0.686 -0.164 -0.14 -0.604 -0.071 -0.07 -0.505 -0.036565830721003 -0.0361170245750606 -0.1434 -0.876 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C03 compound treatment -0.84 -0.318 -0.28 -0.634 -0.101 -0.1 -0.559 -0.090565830721003 -0.089454232799159 -0.2693 -0.8687 907417 SMP2_000045 COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C04 compound treatment 2.067 2.59 1.52 1.77 2.3 1.61 2.074 2.542434169279 1.66617868165923 2.7688 0.9993 180 SMP2_000046 CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C05 compound treatment -0.362 0.16 0.14 -0.026 0.507 0.48 -0.286 0.182434169278997 0.180194986556005 0.4648 0.8693 3199382 SMP2_000047 C[C@@H]1CCC2[C@H](C[C@]3(C)C(=CCC4[C@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C06 compound treatment 4.128 4.65 1.68 7.542 8.08 1.93 1.557 2.025434169279 1.58168934798722 2.9984 0.9963 3104900 SMP2_000048 C/C(=C\CCC1C=CC(OC1O)C2=CC(=O)OC2O)/CCC3=C(C)CCCC3(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C07 compound treatment 0.707 1.23 1.09 2.319 2.85 1.68 1.464 1.932434169279 1.56333706443091 2.4978 0.9847 907313 SMP2_000049 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C42OC(=O)c5ccccc54)c1I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C08 compound treatment -0.342 0.18 0.16 -0.446 0.087 0.08 -0.218 0.250434169278997 0.24736035987524 0.2828 0.9248 3076308 SMP2_000050 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C09 compound treatment 0.193 0.715 0.63 -1.25 -0.717 -0.68 -1.083 -0.614565830721003 -0.607022697788558 -0.3796 -0.3416 1002910 SMP2_000051 OC(C(O)C(=O)O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C10 compound treatment -0.558 -0.0356 -0.03 -0.672 -0.139 -0.13 -0.449 0.019434169278997 0.0191956358054859 -0.0835 -0.6076 453 SMP2_000052 COc1cccc(c1N)c2cc(=O)c3ccccc3o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C11 compound treatment -0.573 -0.0506 -0.04 -0.524 0.00905 0.01 -0.758 -0.289565830721003 -0.286011722365744 -0.186 -0.6421 3199383 SMP2_000053 C[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@]45O[C@@H]5C[C@@H](C14)c6ccc(=O)oc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C12 compound treatment -0.089 0.433 0.38 0.035 0.568 0.54 0.013 0.481434169278997 0.475525083944994 0.8082 0.9905 3199384 SMP2_000054 CC[C@H]1OC(=O)C[C@@H](O)C[C@@H](OC[C@]2(C)OC(C)[C@@H](O[C@@]3(C)C[C@@](C)(O)[C@@H](O)C(C)O3)[C@H](C2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(=C/C1CO[C@@H]4OC(C)[C@@H](O)[C@H](OC)C4OC)\C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C13 compound treatment -0.966 -0.444 -0.39 -0.982 -0.449 -0.43 -1.122 -0.653565830721003 -0.645544014839296 -0.846 -0.9747 3076309 SMP2_000055 C[C@]12CC[C@H](C3CCC(C)(C)OC3)[C@@]2(C)[C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]41C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C14 compound treatment 3.093 3.62 1.62 2.384 2.92 1.68 3.113 3.581434169279 1.77996950150719 2.9322 0.9992 222 SMP2_000056 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C15 compound treatment -0.693 -0.171 -0.15 -0.931 -0.398 -0.38 -1.169 -0.700565830721003 -0.691967140515826 -0.7054 -0.8782 3076310 SMP2_000057 CC1(C)CC[C@H](F)[C@@]2(CO[C@@]3(O)[C@H](O)[C@H]12)[C@@H]4CC[C@@H]5[C@@H](O)[C@@]43C(=O)C5=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C16 compound treatment 0.119 0.641 0.57 -0.093 0.44 0.42 -0.25 0.218434169278997 0.215753125372071 0.694 0.941 3199385 SMP2_000058 OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C(O)[C@@H]1O[C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C17 compound treatment -0.564 -0.0416 -0.04 -0.732 -0.199 -0.19 -0.862 -0.393565830721003 -0.388735234501044 -0.3551 -0.8181 1448 SMP2_000059 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C18 compound treatment -1.136 -0.614 -0.54 -1.912 -1.38 -1.31 -0.427 0.041434169278997 0.0409256095264149 -1.048 -0.7371 31 SMP2_000060 CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C19 compound treatment -0.5 0.0224 0.02 -0.583 -0.05 -0.05 -0.349 0.119434169278997 0.11796824362789 0.0521 0.4046 95 SMP2_000061 CCCCCC(O)/C=C/C=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C20 compound treatment -0.296 0.226 0.2 -0.437 0.096 0.09 -0.318 0.150434169278997 0.148587752052836 0.2542 0.9572 2065223 SMP2_000062 CN(C)c1ccc(cc1)C(O)(c2ccccc2)c3ccc(cc3)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C21 compound treatment -0.399 0.123 0.11 1.149 1.68 1.5 1.012 1.480434169279 1.45389102533363 1.766 0.8455 3199386 SMP2_000063 CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)/C(=C\C=C/[C@H](O)[C@@H](OC(=O)N)/C(=C\[C@H](C)[C@H]1O)/C)/C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C22 compound treatment -0.366 0.156 0.14 -0.206 0.327 0.31 -0.347 0.121434169278997 0.119943695784338 0.329 0.9104 2041 SMP2_000064 OC(=O)CNC(=O)C(CS)Cc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C23 compound treatment -0.357 0.165 0.15 -0.304 0.229 0.22 -0.071 0.397434169278997 0.392556093374175 0.4371 0.9253 3076311 SMP2_000065 COc1cc2ccnc3cc[nH]c(c1OC)c23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 C24 compound treatment 0.0 0.522 0.46 0.133 0.666 0.63 -0.37 0.098434169278997 0.0972259959851854 0.6891 0.8714 907566 SMP2_000066 C/C(=C\CNc1ncnc2n(cnc12)C3OC(CO)[C@@H](O)[C@H]3O)/CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D01 mock treatment -0.081 0.441 0.39 0.182 0.715 0.68 -0.164 0.304434169278997 0.300697568099339 0.7922 0.9423 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D02 mock treatment -0.421 0.101 0.09 -0.48 0.053 0.05 -0.19 0.278434169278997 0.275016690065513 0.2397 0.8164 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D03 compound treatment -0.854 -0.332 -0.29 -1.644 -1.11 -1.06 -1.328 -0.859565830721003 -0.849015586953449 -1.2705 -0.9152 3199387 SMP2_000067 CCC1/C=C(/C)\CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)C(O)CC1=O)/C(=C/C4CCC(O)C(C4)OC)/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D04 compound treatment 0.023 0.545 0.48 -0.372 0.161 0.15 -0.579 -0.110565830721003 -0.10920875436364 0.3039 0.5871 907555 SMP2_000068 CC1=C[C@H]2O[C@@H]3C[C@@H](O)C(C)(C43CO4)[C@@]2(CO)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D05 compound treatment -0.485 0.0374 0.03 -0.904 -0.371 -0.35 -0.429 0.039434169278997 0.0389501573699668 -0.1624 -0.4549 1962 SMP2_000069 CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](O[C@@H]1C(=O)O)n2ccc(N)nc2=O)C(=N)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D06 compound treatment -0.417 0.105 0.09 -0.6 -0.067 -0.06 -0.12 0.348434169278997 0.344157515541196 0.2157 0.5955 852250 SMP2_000070 C1CCC(NC1)c2cccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D07 compound treatment -0.458 0.0644 0.06 -0.893 -0.36 -0.34 0.014 0.482434169278997 0.476512810023218 0.11 0.1865 3076314 SMP2_000071 O[C@@H]1C=CC(Br)[C@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D08 compound treatment -0.549 -0.0266 -0.02 -0.818 -0.285 -0.27 -0.574 -0.105565830721003 -0.10427012397252 -0.2305 -0.79 3076315 SMP2_000072 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(O)nc2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D09 compound treatment -0.491 0.0314 0.03 -0.625 -0.092 -0.09 -0.528 -0.059565830721003 -0.0588347243742136 -0.0685 -0.6277 3199389 SMP2_000073 CCCCCCCc1c(C)c(O)cc2c3ccccc3[nH]c12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D10 compound treatment -0.089 0.433 0.38 -0.726 -0.193 -0.18 -0.328 0.140434169278997 0.138710491270595 0.1952 0.4366 3199390 SMP2_000074 COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D11 compound treatment 0.132 0.654 0.58 -0.07 0.463 0.44 -0.415 0.053434169278997 0.0527783224651034 0.6192 0.8488 832324 SMP2_000075 COc1cc(OC)c2c(=O)c(C)c(CC[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)/C=C/C=C/C(=C/C)/C)oc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D12 compound treatment -0.329 0.193 0.17 -0.162 0.371 0.35 -0.148 0.320434169278997 0.316501185350923 0.4856 0.9627 2085117 SMP2_000076 COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D13 compound treatment -0.174 0.348 0.31 -0.369 0.164 0.16 0.079 0.547434169278997 0.540715005107781 0.5803 0.9044 251 SMP2_000077 Nc1ncnc2n(cnc12)C3(CO)OC(=C)C(O)C3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D14 compound treatment 0.06 0.582 0.51 -1.34 -0.807 -0.77 -0.282 0.186434169278997 0.184145890868901 -0.0402 -0.0426 2007 SMP2_000078 CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](CC1(C)C)Oc3ccc4CC(NC(=O)c5[nH]cc(CC(=O)Nc6cc7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@@H](OC(=O)c9ccc(C)[nH]9)[C@H]8O)c(C)c7oc6=O)c5C)C(=O)Oc4c3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D15 compound treatment -0.098 0.424 0.38 -0.687 -0.154 -0.15 -0.893 -0.424565830721003 -0.41935474292599 -0.1101 -0.1894 751 SMP2_000079 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D16 compound treatment -0.946 -0.424 -0.37 -0.857 -0.324 -0.31 -0.603 -0.134565830721003 -0.132914180241017 -0.4711 -0.9364 3076316 SMP2_000080 Oc1cc(ccc1C(=O)c2ccccc2)N3CCOCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D17 compound treatment -0.721 -0.199 -0.18 -1.129 -0.596 -0.57 -0.708 -0.239565830721003 -0.236625418454541 -0.5657 -0.8845 3076317 SMP2_000081 CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H](C[C@H](C[C@@H](C)C\C(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D18 compound treatment -0.75 -0.228 -0.2 -0.607 -0.074 -0.07 -0.085 0.383434169278997 0.378727928279038 0.0618 0.1423 1392 SMP2_000082 CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D19 compound treatment -0.597 -0.0746 -0.07 -0.664 -0.131 -0.12 -0.72 -0.251565830721003 -0.24847813139323 -0.2535 -0.8873 610 SMP2_000083 O=S(=O)(N1CCCNCC1)c2cccc3cnccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D20 compound treatment -0.632 -0.11 -0.1 -0.852 -0.319 -0.3 -0.42 0.048434169278997 0.0478396920739832 -0.2037 -0.6318 3076318 SMP2_000084 Oc1nccc2c(cccc12)S(=O)(=O)N3CCCNCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D21 compound treatment -0.412 0.11 0.1 -0.68 -0.147 -0.14 -0.29 0.178434169278997 0.176244082243109 0.0773 0.3151 616 SMP2_000085 COc1cc(O)c2c(=O)c(OC)c3CC(C)C(C(=O)C)c4c(OC)c(=O)c5c(O)cc(OC)c6c1c2c3c4c56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D22 compound treatment 2.094 2.62 1.53 2.11 2.64 1.65 2.427 2.895434169279 1.71126644867274 2.8226 0.9989 1096695 SMP2_000086 Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D23 compound treatment 1.135 1.66 1.38 0.058 0.591 0.56 -0.245 0.223434169278997 0.220691755763191 1.2472 0.8296 3176136 SMP2_000087 C[C@@H]1C2NCC(C)C[C@H]2O[C@@]31CCC4C5CC=C6CC(O)CCC6(C)C5C(=O)C4=C3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 D24 compound treatment -0.877 -0.355 -0.31 -1.566 -1.03 -0.98 -1.337 -0.868565830721003 -0.857905121657465 -1.2444 -0.9269 3076319 SMP2_000088 Nc1nc(OCC2CCCCC2)c3[nH]cnc3n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E01 mock treatment -0.361 0.161 0.14 0.03 0.563 0.54 0.071 0.539434169278997 0.532813196481989 0.6997 0.9094 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E02 mock treatment -0.649 -0.127 -0.11 -0.333 0.2 0.19 -0.526 -0.057565830721003 -0.0568592722177655 0.0126 0.0552 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E03 compound treatment -0.415 0.107 0.09 -0.951 -0.418 -0.4 -0.84 -0.371565830721003 -0.367005260780115 -0.3869 -0.7038 445 SMP2_000089 NC(=O)c1cccc(N)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E04 compound treatment 1.198 1.72 1.39 -0.09 0.443 0.42 -0.733 -0.264565830721003 -0.261318570410143 0.895 0.6066 1057045 SMP2_000090 COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E05 compound treatment -0.322 0.2 0.18 2.377 2.91 1.68 0.754 1.222434169279 1.20743010790901 1.7706 0.852 1949 SMP2_000091 NOC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)ON)c3ccc(O)c(c3)C(=O)ON)C=CC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E06 compound treatment -0.356 0.166 0.15 -0.808 -0.275 -0.26 -1.149 -0.680565830721003 -0.672212618951345 -0.4544 -0.6171 2180 SMP2_000092 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c4ncn(C(C)C)c4n2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E07 compound treatment 1.715 2.24 1.48 2.289 2.82 1.67 1.745 2.213434169279 1.6155268222535 2.7513 0.9987 1020463 SMP2_000093 Oc1cc2ccc(=O)oc2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E08 compound treatment -0.473 0.0494 0.04 -0.355 0.178 0.17 -0.604 -0.135565830721003 -0.133901906319241 0.0459 0.208 3076699 SMP2_000094 CN1CCC[C@H]1CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E09 compound treatment -0.452 0.0704 0.06 -0.707 -0.174 -0.17 -0.64 -0.171565830721003 -0.169460045135307 -0.1576 -0.6429 1694 SMP2_000095 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E10 compound treatment -0.311 0.211 0.19 -0.522 0.011 0.01 -0.362 0.106434169278997 0.105127804610978 0.1747 0.8136 2345 SMP2_000096 Nc1ncnc2n(ccc12)[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E11 compound treatment -0.532 -0.00955 -0.01 -0.673 -0.14 -0.13 -1.0 -0.531565830721003 -0.525041433295962 -0.385 -0.7106 3199487 SMP2_000097 C[C@@H]1CC[C@@]2(C[C@H](C)C3C(=CCC4[C@@]3(C)C[C@@H](O)C5[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]45C)C2[C@H]1C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E12 compound treatment 0.082 0.604 0.53 -0.078 0.455 0.43 -0.272 0.196434169278997 0.194023151651142 0.6708 0.9383 2240 SMP2_000098 CC(C)C[C@H](NP(=O)(O)OC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E13 compound treatment 0.188 0.71 0.63 0.4 0.933 0.89 0.557 1.025434169279 1.01284807049887 1.4606 0.9824 1000145 SMP2_000099 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E14 compound treatment 2.533 3.06 1.57 7.69 8.22 1.94 2.194 2.662434169279 1.68244225511739 2.9964 0.9961 267 SMP2_000100 CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C=CC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E15 compound treatment -0.597 -0.0746 -0.07 -0.778 -0.245 -0.23 -0.423 0.045434169278997 0.0448765138393111 -0.1469 -0.5956 1114632 SMP2_000101 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E16 compound treatment -1.16 -0.638 -0.56 -1.165 -0.632 -0.6 -1.164 -0.695565830721003 -0.687028510124705 -1.0697 -0.9965 1000121 SMP2_000102 C/C(=C\CO)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E17 compound treatment -0.498 0.0244 0.02 4.109 4.64 1.81 3.182 3.650434169279 1.78583533935415 2.0892 0.8214 1599897 SMP2_000103 O=c1n2CCc3c([nH]c4ccccc34)-c2nc5ccccc15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E18 compound treatment -0.129 0.393 0.35 -0.375 0.158 0.15 -0.173 0.295434169278997 0.291808033395322 0.4562 0.9538 2354 SMP2_000104 COc1ccc2C3C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)N4c2c1)N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E19 compound treatment -0.12 0.402 0.36 -0.513 0.02 0.02 -0.62 -0.151565830721003 -0.149705523570826 0.13 0.3364 1001870 SMP2_000105 C/C(=C/C(=O)O)/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E20 compound treatment -0.126 0.396 0.35 -0.7 -0.167 -0.16 -0.733 -0.264565830721003 -0.261318570410143 -0.0403 -0.0867 296 SMP2_000106 Nc1ncnc2N(=CNc21)C3CCCO3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E21 compound treatment 2.011 2.53 1.52 2.176 2.71 1.66 1.761 2.229434169279 1.61822513534057 2.7677 0.9993 600 SMP2_000107 COC(=O)/C=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E22 compound treatment -1.0 -0.478 -0.42 -0.947 -0.414 -0.39 -1.065 -0.596565830721003 -0.589243628380525 -0.8116 -0.9835 2327 SMP2_000108 CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C(NCC(=O)c4csc(n4)C(NC(=O)c5csc(n5)/C(=C\C)/NC(=O)C(NC(=O)c6csc(n6)C7(CCC(=NC7)c8nc(cs8)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=C)C(C)NC(=O)C(=C)NCC(C)NC1=O)C(C)O)C(C)(O)C(C)O)c9nccs9)C(C)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E23 compound treatment 2.525 3.05 1.57 2.439 2.97 1.69 1.712 2.180434169279 1.60987638514547 2.8105 0.9995 3076759 SMP2_000109 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 E24 compound treatment 2.389 2.91 1.56 1.892 2.43 1.62 1.859 2.327434169279 1.63419179772622 2.7801 0.9998 3199491 SMP2_000110 C/C=C/C1OC2=C(C(=O)C[C@H](C)O2)C(=O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F01 mock treatment -0.19 0.332 0.29 -0.359 0.174 0.17 -0.735 -0.266565830721003 -0.263294022566591 0.1134 0.265 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F02 mock treatment -0.429 0.0934 0.08 -0.545 -0.012 -0.01 -0.663 -0.194565830721003 -0.19217774493446 -0.0698 -0.3333 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F03 compound treatment -0.338 0.184 0.16 -0.329 0.204 0.19 -0.239 0.229434169278997 0.226618112232535 0.3372 0.9912 907179 SMP2_000111 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F04 compound treatment 0.493 1.02 0.9 0.743 1.28 1.22 0.754 1.222434169279 1.20743010790901 1.9173 0.9912 3076760 SMP2_000112 COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F05 compound treatment -0.535 -0.0126 -0.01 -0.464 0.069 0.07 -0.433 0.035434169278997 0.0349992530570706 0.0518 0.6873 328 SMP2_000113 C/C=C(/C)\C=C\1/CN=C2N(CCC2(O)C1=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F06 compound treatment 3.074 3.6 1.61 2.537 3.07 1.7 3.304 3.772434169279 1.79582687509483 2.9494 0.9991 3076761 SMP2_000114 CNCC/C=C/1\c2ccccc2CC(O)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F07 compound treatment -1.038 -0.516 -0.46 -1.014 -0.481 -0.46 -1.069 -0.600565830721003 -0.593194532693421 -0.8702 -0.9919 3199493 SMP2_000115 CCC/C=C/C=C/C(=O)O[C@H]1\C(=C\C(=O)OC)\C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@H]3C[C@H](OC(=O)C)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F08 compound treatment -1.617 -1.09 -0.97 -0.603 -0.07 -0.07 -1.426 -0.957565830721003 -0.945812742619405 -1.1432 -0.8439 1046629 SMP2_000116 Nc1cc2c3ccccc3ccc2c4ccccc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F09 compound treatment -0.797 -0.275 -0.24 -0.621 -0.088 -0.08 -1.049 -0.580565830721003 -0.57344001112894 -0.5196 -0.827 1037664 SMP2_000117 CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)nc(O)nc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F10 compound treatment -0.308 0.214 0.19 -0.098 0.435 0.41 -0.742 -0.273565830721003 -0.270208105114159 0.1927 0.3638 1943 SMP2_000118 CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@@]4(C)O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F11 compound treatment -0.299 0.223 0.2 -0.319 0.214 0.2 -0.408 0.060434169278997 0.0596924050126717 0.2662 0.9177 3199494 SMP2_000119 CC[C@@H]1C[C@@]1(NC(=O)C2=C[C@H](CC)C[C@H]3[C@@H]2CCC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F12 compound treatment -0.681 -0.159 -0.14 -0.818 -0.285 -0.27 -0.808 -0.339565830721003 -0.335398026276946 -0.4313 -0.9507 1320 SMP2_000120 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC=C5C=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F13 compound treatment -1.115 -0.593 -0.52 -1.523 -0.99 -0.94 -1.625 -1.156565830721 -1.14237023218599 -1.5065 -0.9588 745 SMP2_000121 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F14 compound treatment -0.753 -0.231 -0.2 -0.662 -0.129 -0.12 -0.716 -0.247565830721003 -0.244527227080334 -0.3298 -0.9665 2008 SMP2_000122 CC1=C(SCCO)C(=O)c2ccccc2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F15 compound treatment -0.857 -0.335 -0.3 -0.75 -0.217 -0.21 -0.945 -0.476565830721003 -0.47071649899364 -0.5619 -0.9473 3199495 SMP2_000123 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(=O)(O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F16 compound treatment 0.114 0.636 0.56 0.507 1.04 0.99 -0.221 0.247434169278997 0.244397181640568 1.038 0.8907 3076763 SMP2_000124 Oc1ccc2c(Oc3cc(O)ccc3C42OC(=O)c5ccc(Nc6nc(Cl)nc(Cl)n6)cc54)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F17 compound treatment -0.62 -0.0976 -0.09 -0.684 -0.151 -0.14 -0.568 -0.0995658307210029 -0.0983437675031753 -0.1896 -0.9753 1433 SMP2_000125 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F18 compound treatment -0.151 0.371 0.33 0.0 0.533 0.51 -0.592 -0.123565830721003 -0.122049193380552 0.4123 0.6683 1100216 SMP2_000126 CC(=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C3CCC4(C)C3C(O)CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C(C)(C)C6CCC54C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F19 compound treatment -0.857 -0.335 -0.3 -0.361 0.172 0.16 -0.786 -0.317565830721003 -0.313668052556017 -0.2572 -0.5577 3000453 SMP2_000127 C[C@@H]1CC2OC(=O)C(=C)C2[C@H](O)[C@@]3(C)[C@H]1C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F20 compound treatment -0.857 -0.335 -0.3 -0.049 0.484 0.46 -0.725 -0.256565830721003 -0.25341676178435 -0.0508 -0.0842 3060680 SMP2_000128 Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F21 compound treatment 3.143 3.67 1.62 1.934 2.47 1.63 2.034 2.502434169279 1.66051782353759 2.8348 0.9999 1907753 SMP2_000129 CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4CCC(=O)C5=C(O)[C@H](CCCNC(=O)/C=C\C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F22 compound treatment -0.088 0.434 0.38 -0.092 0.441 0.42 -0.531 -0.062565830721003 -0.0617979026088857 0.4287 0.7486 1001972 SMP2_000130 CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@@H]3O[C@@H]3C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F23 compound treatment 0.26 0.782 0.69 0.354 0.887 0.85 0.685 1.153434169279 1.13927700851155 1.545 0.979 3076765 SMP2_000131 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 F24 compound treatment -0.34 0.182 0.16 -0.662 -0.129 -0.12 -0.469 -5.65830721002969E-4 -5.58885758994946E-4 0.0219 0.1079 288 SMP2_000132 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G01 mock treatment -0.483 0.0394 0.03 -0.379 0.154 0.15 -0.542 -0.073565830721003 -0.0726628894693502 0.0629 0.3757 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G02 mock treatment -0.291 0.231 0.2 0.025 0.558 0.53 -0.217 0.251434169278997 0.248348085953464 0.5685 0.9148 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G03 compound treatment 0.59 1.11 0.98 0.145 0.678 0.65 0.333 0.801434169278997 0.791597428976688 1.3978 0.9856 2407 SMP2_000133 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G04 compound treatment 1.347 1.87 1.42 1.368 1.9 1.54 1.288 1.756434169279 1.52514776853644 2.5888 0.9993 907364 SMP2_000134 CCC(C(=O)NC/C=C\C=C(\C)/C(OC)C(C)C1OC(\C=C/C=C\C=C(\C)/C(=O)c2c(O)cc[nH]c2=O)C(O)C1O)C3(O)OC(\C=C/C=C\C)C(C)(C)C(O)C3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G05 compound treatment 1.508 2.03 1.45 2.458 2.99 1.69 0.585 1.053434169279 1.04050440068915 2.4114 0.982 1978 SMP2_000135 OC(=O)/C=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G06 compound treatment -0.909 -0.387 -0.34 -1.141 -0.608 -0.58 -0.204 0.264434169278997 0.261188524970377 -0.3809 -0.528 3076766 SMP2_000136 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G07 compound treatment -0.175 0.347 0.31 -0.155 0.378 0.36 -0.444 0.024434169278997 0.0241342661966061 0.3992 0.8423 1117 SMP2_000137 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G08 compound treatment -0.486 0.0364 0.03 -0.736 -0.203 -0.19 -0.333 0.135434169278997 0.133771860879475 -0.0158 -0.0665 313 SMP2_000138 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G09 compound treatment 0.926 1.45 1.28 -0.704 -0.171 -0.16 -0.551 -0.082565830721003 -0.0815524241733666 0.5982 0.4625 3076819 SMP2_000139 COCC(=O)c1ncn-2c1[C@@H]3CCNC3C(=O)c4cc(OC)ccc42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G10 compound treatment -0.505 0.0174 0.02 -0.373 0.16 0.15 -0.759 -0.290565830721003 -0.286999448443968 -0.0688 -0.2114 3199591 SMP2_000140 CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)CCCCCCCCC)COC(=O)Cc5ccc(O)c(OC)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G11 compound treatment 0.49 1.01 0.9 -0.47 0.063 0.06 -0.319 0.149434169278997 0.147600025974612 0.6367 0.7003 939 SMP2_000141 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G12 compound treatment -2.456 -1.93 -1.71 -2.986 -2.45 -2.34 -2.925 -2.456565830721 -2.42641413387725 -3.737 -0.9892 3076821 SMP2_000142 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G13 compound treatment -0.457 0.0654 0.06 -0.32 0.213 0.2 -0.549 -0.080565830721003 -0.0795769720169185 0.1046 0.4639 1012954 SMP2_000143 OC(Cc1ccncc1)C(Cl)(Cl)Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G14 compound treatment -1.034 -0.512 -0.45 -0.848 -0.315 -0.3 -1.023 -0.554565830721003 -0.547759133095115 -0.7506 -0.9734 4637 SMP2_000144 C[C@@H]1C[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G15 compound treatment -0.086 0.436 0.39 0.052 0.585 0.56 0.31 0.778434169278997 0.768879729177535 0.9885 0.9643 942 SMP2_000145 OC(=O)c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G16 compound treatment 2.338 2.86 1.55 2.14 2.67 1.66 2.441 2.909434169279 1.71289393538862 2.8407 0.9992 3199592 SMP2_000146 CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1\C=C\C(=C\C(=O)O)\C)OC(=O)CCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G17 compound treatment -0.602 -0.0796 -0.07 -0.619 -0.086 -0.08 -0.813 -0.344565830721003 -0.340336656668066 -0.2844 -0.7965 1011013 SMP2_000147 Nc1ccc2nc3ccc(N)cc3[s+]c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G18 compound treatment 0.344 0.866 0.77 0.365 0.898 0.86 -0.006 0.462434169278997 0.456758288458737 1.1999 0.9709 3076824 SMP2_000148 NC(=O)OCC1N=C(N)N2CCC(O)(O)C32NC(=NC13)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G19 compound treatment -0.203 0.319 0.28 0.214 0.747 0.71 -0.085 0.383434169278997 0.378727928279038 0.7926 0.9279 3199593 SMP2_000149 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G20 compound treatment 0.238 0.76 0.67 0.253 0.786 0.75 0.419 0.887434169278997 0.876541871703956 1.3266 0.994 3185114 SMP2_000150 CC[C@]1(C=CCN2CC[C@]3([C@H]4N(C)c5cc(OC)ccc53)[C@@H]21)[C@@H](OC(=O)C)[C@]4(O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G21 compound treatment -0.574 -0.0516 -0.05 -0.676 -0.143 -0.14 -0.59 -0.121565830721003 -0.120073741224104 -0.1743 -0.9309 3199594 SMP2_000151 C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G22 compound treatment -0.032 0.49 0.43 0.132 0.665 0.63 -0.289 0.179434169278997 0.177231808321333 0.7185 0.9118 3076825 SMP2_000152 NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G23 compound treatment -0.709 -0.187 -0.16 -0.091 0.442 0.42 -0.5 -0.031565830721003 -0.0311783941839403 0.1299 0.2866 1095351 SMP2_000153 COC1=C(Br)C(O)C(O)(CC#N)C=C1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 G24 compound treatment -1.664 -1.14 -1.01 -1.739 -1.21 -1.15 -2.443 -1.974565830721 -1.95033016417326 -2.372 -0.9571 3 SMP2_000154 Oc1ccc(/C=C(\C#N)/C(=O)NCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H01 mock treatment -0.203 0.319 0.28 -0.646 -0.113 -0.11 0.108 0.576434169278997 0.569359061376279 0.4297 0.6665 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H02 mock treatment 0.205 0.727 0.64 -0.846 -0.313 -0.3 0.123 0.591434169278997 0.584174952549639 0.5365 0.584 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H03 compound treatment 0.0 0.522 0.46 -0.594 -0.061 -0.06 -0.583 -0.114565830721003 -0.113159658676536 0.1678 0.3503 3199595 SMP2_000155 CCC(C)C(NC(=O)C1CC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NCC(=O)NC(CC(=O)N)C(=O)N1)C(=O)NC(Cc5ccccc5)C(=O)NCC(=O)NC(Cc6c[nH]cn6)C(=O)NC(Cc7ccc(O)cc7)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc8ccccc8)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H04 compound treatment -0.642 -0.12 -0.11 -0.74 -0.207 -0.2 -0.646 -0.177565830721003 -0.175386401604651 -0.2761 -0.9713 1303231 SMP2_000156 CN(C)CC(O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H05 compound treatment -1.255 -0.733 -0.65 -1.819 -1.29 -1.23 -1.078 -0.609565830721003 -0.602084067397438 -1.4288 -0.9457 3076826 SMP2_000157 Nc1ccccc1NC(=O)CCCCCCC(=O)Nc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H06 compound treatment -0.48 0.0424 0.04 0.745 1.28 1.22 -0.068 0.400434169278997 0.395519271608847 0.953 0.7441 3076827 SMP2_000158 OC[C@H]1CC2CCN1CC2C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H07 compound treatment 0.025 0.547 0.48 -0.565 -0.032 -0.03 0.39 0.858434169278997 0.847897815435459 0.7514 0.7693 3199596 SMP2_000159 OC(=O)c1cc(/C=C/c2ccc(/C=C/c3ccc(O)c(c3)C(=O)O)c(Br)c2)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H08 compound treatment -0.575 -0.0526 -0.05 -0.709 -0.176 -0.17 -0.481 -0.012565830721003 -0.0124115986976835 -0.1308 -0.7499 1088673 SMP2_000160 CC(C)C1NC(=O)C(NC(=O)c2cc(N)c(C)c3oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H09 compound treatment -0.41 0.112 0.1 -0.686 -0.153 -0.15 -0.273 0.195434169278997 0.193035425572918 0.0847 0.324 3069011 SMP2_000161 NCCC(=O)NCCc1c[nH]cn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H10 compound treatment 0.154 0.676 0.6 -0.988 -0.455 -0.43 -0.534 -0.065565830721003 -0.0647610808435579 0.0577 0.0778 1025 SMP2_000162 CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(C[C@@H]5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H11 compound treatment -0.15 0.372 0.33 -0.147 0.386 0.37 -0.282 0.186434169278997 0.184145890868901 0.5088 0.9656 1018447 SMP2_000163 Oc1ccc2c(c1)oc3c2c(=O)oc4cc(O)ccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H12 compound treatment -0.609 -0.0866 -0.08 -0.696 -0.163 -0.16 -0.642 -0.173565830721003 -0.171435497291755 -0.2328 -0.9556 1000068 SMP2_000164 CC1=C(N2[C@H](SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H13 compound treatment 0.577 1.1 0.97 -0.453 0.08 0.08 0.145 0.613434169278997 0.605904926270568 0.955 0.832 526 SMP2_000165 C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]2O[C@H]2[C@H](O)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H14 compound treatment 0.183 0.705 0.62 -0.989 -0.456 -0.43 0.46 0.928434169278997 0.917038640911142 0.6388 0.5363 460 SMP2_000166 CCC1NC(=O)C([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H15 compound treatment -0.234 0.288 0.26 -0.239 0.294 0.28 -0.309 0.159434169278997 0.157477286756852 0.3999 0.9747 907301 SMP2_000167 CCC(C)C(O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C1OC(=O)C1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H16 compound treatment -0.303 0.219 0.19 -0.304 0.229 0.22 -0.412 0.056434169278997 0.0557415006997756 0.2702 0.9089 3076266 SMP2_000168 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H17 compound treatment -0.555 -0.0326 -0.03 0.485 1.02 0.97 -0.577 -0.108565830721003 -0.107233302207192 0.4814 0.4932 1001938 SMP2_000169 COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](OC3OC(COC(C)(C)C=C)[C@H](O)C(OC(=O)C)[C@@H]3O)C4=C(CC(O)[C@]4(C)C=C12)C(C)COC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H18 compound treatment 1.688 2.21 1.47 0.475 1.01 0.96 0.496 0.964434169278997 0.952596779727208 1.955 0.9775 829 SMP2_000170 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H19 compound treatment -0.705 -0.183 -0.16 0.296 0.829 0.79 -0.528 -0.059565830721003 -0.0588347243742136 0.3288 0.4068 2334 SMP2_000171 C/C(=C\1/C(=O)NC(Cc2ccccc2)C1=O)/Nc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H20 compound treatment -0.511 0.0114 0.01 1.54 2.07 1.57 -0.272 0.196434169278997 0.194023151651142 1.0251 0.6474 2109 SMP2_000172 OCc1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H21 compound treatment 0.231 0.753 0.67 -0.881 -0.348 -0.33 -0.542 -0.073565830721003 -0.0726628894693502 0.1513 0.2023 2106 SMP2_000173 COC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H22 compound treatment -0.531 -0.00855 -0.01 -0.652 -0.119 -0.11 -0.181 0.287434169278997 0.28390622476953 0.0941 0.3078 1260 SMP2_000174 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H23 compound treatment 1.475 2.0 1.44 1.151 1.68 1.5 1.402 1.870434169279 1.55043102634402 2.5905 0.9995 3076270 SMP2_000175 C[C@]12C=Cc3occc3C2CC[C@]4(C[C@H]5CCC41)C[C@]5(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 H24 compound treatment -0.86 -0.338 -0.3 -0.647 -0.114 -0.11 -1.01 -0.541565830721003 -0.534918694078203 -0.5438 -0.8742 3199601 SMP2_000176 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I01 mock treatment -0.5 0.0224 0.02 -0.377 0.156 0.15 -0.587 -0.118565830721003 -0.117110562989432 0.0297 0.1559 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I02 mock treatment -0.505 0.0174 0.02 -0.011 0.522 0.5 -0.355 0.113434169278997 0.112041887158546 0.3607 0.7073 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I03 compound treatment 1.378 1.9 1.42 1.31 1.84 1.53 1.789 2.257434169279 1.62288394550753 2.6419 0.9986 3076271 SMP2_000177 OC(=O)/C=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I04 compound treatment 0.86 1.38 1.22 3.326 3.86 1.76 0.789 1.257434169279 1.24200052064685 2.4407 0.9846 3199602 SMP2_000178 C/C(=C\CCC1=CC(=O)OC1O)/CC/C=C(\C)/CCC2=C(C)CCCC2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I05 compound treatment -0.003 0.519 0.46 0.476 1.01 0.96 0.042 0.510434169278997 0.504169140213492 1.1112 0.9428 1135 SMP2_000179 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I06 compound treatment -0.879 -0.357 -0.32 -0.694 -0.161 -0.15 -0.352 0.116434169278997 0.115005065393218 -0.2041 -0.5533 252 SMP2_000180 CCCCCCOC(=O)[C@]1(O)C[C@H]2O[C@@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I07 compound treatment 0.177 0.699 0.62 0.209 0.742 0.71 -0.286 0.182434169278997 0.180194986556005 0.8692 0.9089 3076272 SMP2_000181 COC(=O)C1=CO[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]3[C@@H]1CC=C3CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I08 compound treatment -0.239 0.283 0.25 -0.175 0.358 0.34 -0.524 -0.055565830721003 -0.0548838200613174 0.3099 0.7262 3199603 SMP2_000182 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I09 compound treatment -0.986 -0.464 -0.41 -1.827 -1.29 -1.23 -1.452 -0.983565830721003 -0.97149362065323 -1.5092 -0.9304 2129 SMP2_000183 OCC(O)C1OC(=O)C(=C1O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I10 compound treatment -1.588 -1.07 -0.94 -1.192 -0.659 -0.63 -1.533 -1.064565830721 -1.05149943298938 -1.5134 -0.9795 3199692 SMP2_000184 CCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)CCCCCCCC)COC(=O)Cc5ccc(O)c(OC)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I11 compound treatment 0.982 1.5 1.33 1.086 1.62 1.48 0.787 1.255434169279 1.2400250684904 2.3391 0.9973 1865 SMP2_000185 Clc1cccc(Nc2nnc(c3ccccc3)c4ccccc24)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I12 mock treatment 0.091 0.613 0.54 -0.024 0.509 0.48 -0.016 0.452434169278997 0.446881027676497 0.8511 0.9968 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I13 compound treatment -0.76 -0.238 -0.21 -0.625 -0.092 -0.09 -0.725 -0.256565830721003 -0.25341676178435 -0.3181 -0.9341 3472730 SMP2_000186 CC12CCC3C(CC=C4CC(O)CCC34C)C2CCC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I14 compound treatment -0.955 -0.433 -0.38 -1.128 -0.595 -0.57 -1.0 -0.531565830721003 -0.525041433295962 -0.8512 -0.9873 3076274 SMP2_000187 Oc1ccc(cc1)C2COc3cc(O)ccc3C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I15 compound treatment 1.329 1.85 1.41 1.383 1.92 1.54 1.058 1.526434169279 1.46690660342679 2.5549 0.9994 2288 SMP2_000188 CC(=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I16 compound treatment -0.462 0.0604 0.05 0.007 0.54 0.51 -0.568 -0.0995658307210029 -0.0983437675031753 0.2711 0.5149 3199693 SMP2_000189 COC(C(C)C1CC(O)C2(C)OC2/C=C\C(C)C3CC(CC(=O)O3)CC4OC4C(=O)O1)C(=CC=CC(=Cc5coc(C)n5)C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I17 compound treatment 0.142 0.664 0.59 2.452 2.99 1.69 0.86 1.328434169279 1.31212907220076 2.0724 0.9341 1025605 SMP2_000190 OCCN(CCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I18 compound treatment -0.59 -0.0676 -0.06 -0.83 -0.297 -0.28 -0.623 -0.154565830721003 -0.152668701805498 -0.286 -0.8746 3060146 SMP2_000191 Oc1ccc(cc1)c2nc(c([nH]2)c3ccc(F)cc3)c4ccncc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I19 compound treatment -0.365 0.157 0.14 -0.254 0.279 0.27 -0.304 0.164434169278997 0.162415917147972 0.3276 0.9602 1874 SMP2_000192 Oc1cccc2c(O)nccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I20 compound treatment 0.254 0.776 0.69 0.242 0.775 0.74 1.273 1.741434169279 1.52165966899021 1.7011 0.932 1080610 SMP2_000193 COc1ccc(O)c2c(=O)c3c(OC)cc4OC5OC=CC5c4c3oc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I21 compound treatment 0.048 0.57 0.5 -0.306 0.227 0.22 -0.222 0.246434169278997 0.243409455562344 0.5566 0.9272 2290 SMP2_000194 C[C@]1(CC(N)CCC(N)C(=O)O)O[C@](C)([C@@H](O)[C@H]1O)n2cnc3c(N)ncnc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I22 compound treatment 1.04 1.56 1.36 0.582 1.12 1.06 2.15 2.618434169279 1.67659993615806 2.3638 0.9835 3076167 SMP2_000195 CC(C)C1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(/C)\C=C/CNC(=O)\C=C/C1C)n3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I23 compound treatment 0.171 0.693 0.61 -0.133 0.4 0.38 -0.65 -0.181565830721003 -0.179337305917547 0.4705 0.6325 1077786 SMP2_000196 CC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(OC2(O)C7CCCN7C1=O)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 I24 compound treatment -1.604 -1.08 -0.96 -1.167 -0.634 -0.6 -1.486 -1.017565830721 -1.00507630731285 -1.481 -0.9789 325 SMP2_000197 N/C(=C(/C#N)\C(=C(/N)\Sc1ccccc1N)\C#N)/Sc2ccccc2N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J01 mock treatment -0.506 0.0164 0.01 -0.611 -0.078 -0.07 -0.462 0.00643416927899698 0.00635519678857331 -0.0308 -0.4057 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J02 mock treatment -0.684 -0.162 -0.14 -0.862 -0.329 -0.31 -0.612 -0.143565830721003 -0.141803714945033 -0.3453 -0.927 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J03 compound treatment -0.069 0.453 0.4 -0.205 0.328 0.31 -0.26 0.208434169278997 0.20587586458983 0.5307 0.9678 3076170 SMP2_000198 OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J04 compound treatment -0.822 -0.3 -0.26 -0.584 -0.051 -0.05 -0.75 -0.281565830721003 -0.278109913739951 -0.3415 -0.8822 677 SMP2_000199 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J05 compound treatment -0.557 -0.0346 -0.03 -0.493 0.04 0.04 -0.735 -0.266565830721003 -0.263294022566591 -0.1476 -0.5513 2060246 SMP2_000200 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CCC12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J06 compound treatment -0.852 -0.33 -0.29 -0.897 -0.364 -0.35 -0.647 -0.178565830721003 -0.176374127682875 -0.4702 -0.9675 414 SMP2_000201 CC1CNCCN1S(=O)(=O)c2cccc3cnccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J07 compound treatment -1.179 -0.657 -0.58 -0.873 -0.34 -0.32 -0.787 -0.318565830721003 -0.314655778634241 -0.7038 -0.957 1972 SMP2_000202 COC(=O)/C(=C\Nc1ccc(Oc2ccccc2OC(C)C)nc1)/NC(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J08 compound treatment 0.129 0.651 0.58 -0.194 0.339 0.32 -0.04 0.428434169278997 0.42317560179912 0.7633 0.9733 3189311 SMP2_000203 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J09 compound treatment -0.862 -0.34 -0.3 -0.619 -0.086 -0.08 -0.758 -0.289565830721003 -0.286011722365744 -0.3857 -0.9126 2109607 SMP2_000204 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J10 compound treatment -0.73 -0.208 -0.18 -1.197 -0.664 -0.63 -1.053 -0.584565830721003 -0.577390915441837 -0.8045 -0.9185 1960 SMP2_000205 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J11 compound treatment -0.104 0.418 0.37 -0.293 0.24 0.23 -0.352 0.116434169278997 0.115005065393218 0.412 0.9159 3199694 SMP2_000206 CC1[C@H]2NC[C@@H](C)C[C@H]2O[C@@]31CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J12 compound treatment 0.214 0.736 0.65 -0.177 0.356 0.34 -0.02 0.448434169278997 0.442930123363601 0.8275 0.9651 874122 SMP2_000207 COc1c(O)c2c(=O)cc3OCOc4cc(O)c5c(=O)c(OC)c(CC(C)O)c6c(c1CC(C)O)c2c3c4c56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J13 compound treatment 0.927 1.45 1.28 0.794 1.33 1.26 1.487 1.955434169279 1.56798469790133 2.375 0.9949 1301 SMP2_000208 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J14 compound treatment -0.487 0.0354 0.03 -0.571 -0.038 -0.04 -0.592 -0.123565830721003 -0.122049193380552 -0.0732 -0.5587 1001900 SMP2_000209 Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J15 compound treatment -0.211 0.311 0.28 -0.411 0.122 0.12 -0.521 -0.052565830721003 -0.0519206418266453 0.1961 0.6465 2056 SMP2_000210 CC(C)CC(NC(=O)NC(C1CCNC(=N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J16 compound treatment -0.671 -0.149 -0.13 -0.415 0.118 0.11 -0.812 -0.343565830721003 -0.339348930589842 -0.2068 -0.543 599 SMP2_000211 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J17 compound treatment -1.032 -0.51 -0.45 -0.667 -0.134 -0.13 -0.946 -0.477565830721003 -0.471704225071864 -0.6061 -0.9119 162 SMP2_000212 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J18 compound treatment -0.49 0.0324 0.03 -0.233 0.3 0.29 -0.357 0.111434169278997 0.110066435002098 0.2451 0.7968 3076285 SMP2_000213 CN1C(=O)/C(=C/2\Nc3ccccc3\C2=N\O)/c4ccc(Br)cc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J19 compound treatment -0.691 -0.169 -0.15 -0.746 -0.213 -0.2 -0.471 -0.00256583072100297 -0.00253433791544304 -0.2046 -0.8129 3199695 SMP2_000214 CC1O[C@@H](O[C@H]2C[C@@H](C=O)C3C(CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)c6ccc(=O)oc6)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]7OC(CO)[C@@H](O)[C@@H](O)[C@H]7O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J20 compound treatment 0.4 0.922 0.82 0.413 0.946 0.9 0.385 0.853434169278997 0.842959185044339 1.4779 0.9991 3076287 SMP2_000215 COc1cc(O)c(CC=C(C)C)c2OC(CC(=O)c12)c3ccc(O)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J21 compound treatment 0.42 0.942 0.83 0.369 0.902 0.86 -0.214 0.254434169278997 0.251311264188136 1.1223 0.9176 2411 SMP2_000216 NCC1O[C@@H](O[C@@H]2[C@H](N)C[C@@H](N)C(O[C@H]3OC(CO)[C@@H](O)[C@@H](N)[C@H]3O)C2O)[C@H](N)C[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J22 compound treatment 2.957 3.48 1.61 2.451 2.98 1.69 2.275 2.743434169279 1.692851763048 2.88 0.9997 3199697 SMP2_000217 CCC(=O)O[C@H]1C(C)O[C@](C)(C[C@]1(C)O)O[C@@H]2C(C)O[C@@H](CO[C@@H]3[C@@H](C)[C@@H](CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@@H]3CC(=O)C)OC(=O)CC)[C@H](O)[C@@H]2N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J23 compound treatment -0.859 -0.337 -0.3 -1.13 -0.597 -0.57 -1.118 -0.649565830721003 -0.6415931105264 -0.8705 -0.9593 3076290 SMP2_000218 C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)/C=C(/C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=C2C4=C3)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 J24 compound treatment -0.25 0.272 0.24 -0.407 0.126 0.12 -0.387 0.081434169278997 0.0804346526553766 0.2548 0.9072 3199698 SMP2_000219 CC(NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2(C)OC3OC(CO)C(O)C(O)(C3O)C(=O)N)c4cnc[nH]4)C(O)C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)c6nc(cs6)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K01 mock treatment -0.163 0.359 0.32 -0.538 -0.00495 0.0 -0.625 -0.156565830721003 -0.154644153961946 0.0915 0.2588 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K02 mock treatment -0.318 0.204 0.18 -0.434 0.099 0.09 -0.451 0.017434169278997 0.0172201836490378 0.1688 0.8248 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K03 compound treatment -1.222 -0.7 -0.62 -1.279 -0.746 -0.71 -1.5 -1.031565830721 -1.01890447240798 -1.3556 -0.9769 3076443 SMP2_000220 CC(C)CCC[C@@H](C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K04 compound treatment -2.25 -1.73 -1.53 -1.783 -1.25 -1.19 -1.982 -1.513565830721 -1.49498844211197 -2.4324 -0.9942 25 SMP2_000221 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K05 compound treatment -0.623 -0.101 -0.09 -0.607 -0.074 -0.07 -0.661 -0.192565830721003 -0.190202292778011 -0.2018 -0.9113 3076448 SMP2_000222 CCC1=CC2C[C@@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@]31C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K06 compound treatment -0.97 -0.448 -0.4 -0.988 -0.455 -0.43 -0.191 0.277434169278997 0.274028963987289 -0.3205 -0.4948 309 SMP2_000223 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K07 compound treatment -0.716 -0.194 -0.17 -0.797 -0.264 -0.25 -0.08 0.388434169278997 0.383666558670158 -0.0225 -0.0459 1000097 SMP2_000224 Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K08 compound treatment -0.25 0.272 0.24 -0.694 -0.161 -0.15 -0.107 0.361434169278997 0.356997954558109 0.2567 0.5614 2113458 SMP2_000225 CCC(=O)NCCc1c2scnc2c3nccc4c5ccccc5[nH]c1c43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K09 compound treatment -0.169 0.353 0.31 -2.735 -2.2 -2.1 -1.92 -1.451565830721 -1.43374942526208 -1.8585 -0.726 3076491 SMP2_000226 CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(=C1O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K10 compound treatment 0.614 1.14 1.0 2.522 3.06 1.7 1.783 2.251434169279 1.62189231933171 2.4961 0.9776 3184 SMP2_000227 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)/C[C@H]12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K11 compound treatment -0.286 0.236 0.21 -0.052 0.481 0.46 -0.379 0.089434169278997 0.088336461281169 0.4363 0.8531 1313 SMP2_000228 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K12 compound treatment -1.486 -0.964 -0.85 -1.761 -1.23 -1.17 -2.03 -1.561565830721 -1.54239929386673 -2.0577 -0.9729 3199699 SMP2_000229 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(O)ccc4[nH]3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K13 compound treatment -0.57 -0.0476 -0.04 -0.351 0.182 0.17 -0.465 0.00343416927899698 0.00339201855390118 0.0778 0.436 2709 SMP2_000230 Cc1ncc(CO)c(CO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K14 compound treatment -0.372 0.15 0.13 -0.093 0.44 0.42 -0.165 0.303434169278997 0.299709842021114 0.4919 0.9242 3076498 SMP2_000231 CC1CC2OC2/C=C\C=C/C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K15 compound treatment 0.389 0.911 0.81 -0.389 0.144 0.14 -0.154 0.314434169278997 0.310574828881579 0.7238 0.8277 3076544 SMP2_000232 CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K16 compound treatment -0.623 -0.101 -0.09 -0.617 -0.084 -0.08 -0.889 -0.420565830721003 -0.415403838613093 -0.3373 -0.7804 633 SMP2_000233 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3ccccc3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K17 compound treatment -0.296 0.226 0.2 -0.284 0.249 0.24 -0.483 -0.014565830721003 -0.0143870508541316 0.2443 0.786 3199700 SMP2_000234 CC1OC2OC3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@@]45CCC(C)(C)C[C@H]5C6=CC[C@@H]7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9OC(CO)[C@@H](O)[C@H](O)C9O[C@@H]%10OC[C@@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1C(O[C@@H]%11OC[C@@H](O)[C@H](O)C%11O)[C@@H]2O)C(O)C%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K18 compound treatment -0.55 -0.0276 -0.02 -0.625 -0.092 -0.09 0.107 0.575434169278997 0.568371335298055 0.2635 0.4578 3076548 SMP2_000235 NC1N=CC(=N1)[C@H]2[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c4cc(Br)c[nH]4)[C@@H]2C5=NC(N)N=C5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K19 compound treatment -0.636 -0.114 -0.1 -0.635 -0.102 -0.1 -0.496 -0.027565830721003 -0.0272274898710442 -0.1298 -0.9118 3076550 SMP2_000236 CCCCC[C@H](O)[C@H](SCC(N)C(=O)O)/C=C/C=C/C=C\C/C=C\CCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K20 compound treatment -0.586 -0.0636 -0.06 -1.395 -0.862 -0.82 -0.506 -0.037565830721003 -0.0371047506532846 -0.5279 -0.6408 3199701 SMP2_000237 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C\C(=C/C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C=C\C(=C/C[C@@H](O)C[C@@H]4CCC[C@@H](CC(OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)O4)\C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]5C[C@@H](C[C@H](C)O5)OC)O3)\C)C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K21 compound treatment -1.078 -0.556 -0.49 -2.043 -1.51 -1.44 -1.137 -0.668565830721003 -0.660359906012656 -1.4953 -0.9023 3076553 SMP2_000238 CC(C)CCC[C@@H](C)[C@H]1C[C@H](O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K22 compound treatment -0.444 0.0784 0.07 -0.859 -0.326 -0.31 -0.742 -0.273565830721003 -0.270208105114159 -0.2952 -0.7073 2329 SMP2_000239 C[C@@H]1C[C@@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]5C=C(COC(=O)Cc6ccc(O)cc6)C[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O3)C(=C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K23 compound treatment -0.031 0.491 0.43 -0.136 0.397 0.38 -0.281 0.187434169278997 0.185133616947125 0.5761 0.9521 1000035 SMP2_000240 O=C1c2ccccc2-c3n[nH]c4cccc1c34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 K24 compound treatment -1.227 -0.705 -0.62 -1.872 -1.34 -1.28 -1.857 -1.388565830721 -1.37152268233397 -1.8879 -0.9565 1100080 SMP2_000241 OCC1OC(C(O)C1O)n2cccnc2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L01 mock treatment 0.388 0.91 0.8 0.0 0.533 0.51 -0.042 0.426434169278997 0.421200149642672 1.0011 0.9619 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L02 mock treatment -0.073 0.449 0.4 0.077 0.61 0.58 -0.316 0.152434169278997 0.150563204209284 0.6519 0.9055 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L03 compound treatment 0.579 1.1 0.97 -0.184 0.349 0.33 0.325 0.793434169278997 0.783695620350896 1.2067 0.9329 155 SMP2_000242 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L04 compound treatment -0.322 0.2 0.18 -0.393 0.14 0.13 -0.153 0.315434169278997 0.311562554959803 0.3592 0.9392 410 SMP2_000243 CC(=N)NCc1cccc(CN)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L05 compound treatment 1.27 1.79 1.4 1.574 2.11 1.58 0.163 0.631434169278997 0.623683995678601 2.081 0.9453 1000029 SMP2_000244 CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C4CCC(=O)N4)C(C)C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L06 compound treatment -0.647 -0.125 -0.11 -0.606 -0.073 -0.07 -0.25 0.218434169278997 0.215753125372071 0.0209 0.0828 3199703 SMP2_000245 CCC1OC2(C[C@@H]3CC(C/C=C(/C)\C(O[C@@H]4C[C@@H](C)C(O[C@H]5C[C@H](OC)C(O)[C@H](C)O5)[C@H](C4)OC)C(C)\C=C/C=C\6/COC7C6[C@@H](C=C(C)[C@H]7O)C(=O)O3)O2)C=CC1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L07 compound treatment -0.882 -0.36 -0.32 -0.64 -0.107 -0.1 -0.239 0.229434169278997 0.226618112232535 -0.1115 -0.2764 3076615 SMP2_000246 COC1/C=C\C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L08 compound treatment -0.756 -0.234 -0.21 1.228 1.76 1.51 -0.559 -0.090565830721003 -0.089454232799159 0.7026 0.4594 3199793 SMP2_000247 CCN1C[C@]2(COC)CCC(OC)[C@]3(C4C[C@@]5(O)[C@H](OC(=O)c6ccc(OC)cc6)C4[C@](C[C@H]5OC)(OC(=O)C)[C@H]7[C@H](OC)C32)[C@@H]71 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L09 compound treatment -0.66 -0.138 -0.12 -0.492 0.041 0.04 -0.262 0.206434169278997 0.203900412433382 0.0701 0.2913 1983 SMP2_000248 CC(C)c1cc2C3CC4C(C)(C)CCCC4(C(=O)O3)c2c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L10 compound treatment -0.534 -0.0116 -0.01 -0.864 -0.331 -0.32 -0.139 0.329434169278997 0.32539072005494 -1.0E-4 -1.0E-4 3199794 SMP2_000249 C[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@]45O[C@@H]5[C@H](OC(=O)C)[C@@H](C14)c6ccc(=O)oc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L11 compound treatment -0.6 -0.0776 -0.07 -0.848 -0.315 -0.3 -0.092 0.376434169278997 0.37181384573147 0.0019 0.0038 3199795 SMP2_000250 CC1C2C(Cc3ccccc3)NC(=O)C24C(/C=C\CC(C)CC(C)(O)/C=C\C4O)C(O)C1=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L12 compound treatment -0.302 0.22 0.19 -1.009 -0.476 -0.45 -0.753 -0.284565830721003 -0.281073091974623 -0.3115 -0.5485 964 SMP2_000251 CN(C)N=Nc1[nH]cnc1C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L13 compound treatment -0.974 -0.452 -0.4 -1.247 -0.714 -0.68 -1.264 -0.795565830721003 -0.78580111794711 -1.0769 -0.9673 3076672 SMP2_000252 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L14 compound treatment 0.439 0.961 0.85 -0.078 0.455 0.43 -0.473 -0.00456583072100297 -0.00450979007189113 0.7384 0.7739 1001931 SMP2_000253 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L15 compound treatment 0.185 0.707 0.63 -0.521 0.012 0.01 0.366 0.834434169278997 0.824192389558082 0.8436 0.8153 831956 SMP2_000254 COc1c(O)ccc2c1cc([N+](=O)[O-])c3c(cc4OCOc4c23)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L16 compound treatment -0.241 0.281 0.25 -0.699 -0.166 -0.16 -0.519 -0.050565830721003 -0.0499451896701972 0.0235 0.0788 604 SMP2_000255 Oc1c(Br)cc(/C=C\2/C3C=C(I)C=CC3NC2=O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L17 compound treatment -0.484 0.0384 0.03 -0.317 0.216 0.21 0.878 1.346434169279 1.32990814160879 0.9063 0.6732 3199797 SMP2_000256 C[C@@]1([C@H]2[C@H](C(=O)O)[C@]3(CC4CC[C@H]3[C@@]52CC[C@@H]1O)CC4=C)C(=O)O5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L18 compound treatment -0.441 0.0814 0.07 -0.018 0.515 0.49 -0.264 0.204434169278997 0.201924960276934 0.4414 0.8244 604 SMP2_000257 Oc1c(Br)cc(/C=C\2/C3C=C(I)C=CC3NC2=O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L19 compound treatment 4.309 4.83 1.69 9.069 9.6 1.97 1.307 1.775434169279 1.52951010880988 2.9923 0.9946 97 SMP2_000258 CCCCC/C=C\C[C@@H]1O[C@H]1\C=C\C(O)C/C=C\CCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L20 compound treatment -0.505 0.0174 0.02 -0.426 0.107 0.1 0.033 0.501434169278997 0.495279605509475 0.3537 0.6992 3199798 SMP2_000259 CC1CC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L21 compound treatment 0.444 0.966 0.85 1.095 1.63 1.48 0.265 0.733434169278997 0.724432055657453 1.768 0.9511 2108 SMP2_000260 COc1cc2C/C(=C\c3cc(C)c(O)c(C)c3)/C(=O)c2c(N)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L22 compound treatment -0.321 0.201 0.18 -0.713 -0.18 -0.17 -0.43 0.038434169278997 0.0379624312917428 0.0258 0.103 440 SMP2_000261 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L23 compound treatment 0.191 0.713 0.63 -0.197 0.336 0.32 -0.179 0.289434169278997 0.285881676925978 0.7141 0.9359 1201 SMP2_000262 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 L24 compound treatment 0.584 1.11 0.98 1.528 2.06 1.57 0.986 1.454434169279 1.43658255805699 2.3002 0.9823 648 SMP2_000263 Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M01 mock treatment -0.524 -0.00155 0.0 -0.045 0.488 0.46 -0.642 -0.173565830721003 -0.171435497291755 0.1687 0.3404 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M02 mock treatment -0.489 0.0334 0.03 -0.373 0.16 0.15 -0.382 0.086434169278997 0.0853732830464969 0.1544 0.8711 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M03 compound treatment 11.789 12.3 1.86 12.333 12.9 2.02 10.647 11.115434169279 2.0548659142119 3.4268 0.9991 549 SMP2_000264 Nc1ncnc2nc(cc(c3cccc(Br)c3)c12)c4ccc(nc4)N5CCOCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M04 compound treatment -1.351 -0.829 -0.73 -1.18 -0.647 -0.62 -1.163 -0.694565830721003 -0.686040784046482 -1.1748 -0.9975 1092656 SMP2_000265 CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M05 compound treatment 1.163 1.69 1.38 -0.645 -0.112 -0.11 -0.48 -0.011565830721003 -0.0114238726194594 0.7299 0.5265 1000067 SMP2_000266 NC(C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M06 compound treatment -0.619 -0.0966 -0.09 -0.434 0.099 0.09 -1.047 -0.578565830721003 -0.571464558972492 -0.3247 -0.5547 535 SMP2_000267 ONC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M07 compound treatment -0.448 0.0744 0.07 -0.452 0.081 0.08 -0.75 -0.281565830721003 -0.278109913739951 -0.078 -0.2634 3177114 SMP2_000268 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M08 compound treatment -0.541 -0.0186 -0.02 -1.182 -0.649 -0.62 -1.128 -0.659565830721003 -0.65147037130864 -0.7425 -0.8266 241 SMP2_000269 CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NCC(N)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M09 compound treatment -0.5 0.0224 0.02 -0.525 0.00805 0.01 -0.403 0.065434169278997 0.0646310354037919 0.0532 0.7818 3076808 SMP2_000270 CC1(C)[C@H]2C[C@@H]1C(=C)[C@H](O)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M10 compound treatment -2.479 -1.96 -1.73 -2.156 -1.62 -1.55 -3.026 -2.557565830721 -2.52617446777788 -3.3498 -0.9767 220 SMP2_000271 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M11 compound treatment 8.854 9.38 1.82 6.032 6.57 1.89 7.115 7.583434169279 1.97689230244858 3.2835 0.9994 1579 SMP2_000272 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M12 compound treatment 0.074 0.596 0.53 0.138 0.671 0.64 0.194 0.662434169278997 0.654303504103546 1.0513 0.9957 284 SMP2_000273 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3cc(O)ccc3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M13 compound treatment -0.646 -0.124 -0.11 -0.629 -0.096 -0.09 -0.634 -0.165565830721003 -0.163533688665962 -0.2103 -0.9695 3076815 SMP2_000274 CC(O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M14 compound treatment -0.369 0.153 0.14 -0.457 0.076 0.07 -0.549 -0.080565830721003 -0.0795769720169185 0.0742 0.4285 1102317 SMP2_000275 COc1ccc(cc1)C23Oc4cc(OC)cc(OC)c4C3(O)C(O)C(C2c5ccccc5)C(=O)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M15 compound treatment -0.218 0.304 0.27 -0.375 0.158 0.15 -0.109 0.359434169278997 0.355022502401661 0.4473 0.9511 1907751 SMP2_000276 CN/C(=N\c1ccc(cc1)C2=NNC(=O)CC2C)/NC#N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M16 compound treatment -0.486 0.0364 0.03 -0.515 0.018 0.02 -0.42 0.048434169278997 0.0478396920739832 0.0561 0.9329 536 SMP2_000277 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M17 compound treatment 0.544 1.07 0.94 3.164 3.7 1.75 2.2 2.668434169279 1.68322847289216 2.5274 0.9699 3076873 SMP2_000278 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M18 compound treatment -1.433 -0.911 -0.81 -1.438 -0.905 -0.86 -1.395 -0.926565830721003 -0.91519323419446 -1.4909 -0.9986 536 SMP2_000279 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M19 compound treatment -0.41 0.112 0.1 -0.311 0.222 0.21 -0.524 -0.055565830721003 -0.0548838200613174 0.1478 0.6158 3199800 SMP2_000280 CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M20 compound treatment -1.644 -1.12 -0.99 -1.594 -1.06 -1.01 -1.545 -1.076565830721 -1.06335214592807 -1.7699 -0.9996 3199801 SMP2_000281 CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)C1O[C@]2(CC[C@@H](C)C(CC[C@H](C)C(=O)C)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C3=C(C)C(=O)OC3=O)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M21 compound treatment 0.886 1.41 1.25 0.569 1.1 1.05 0.508 0.976434169278997 0.964449492665896 1.8819 0.9942 257 SMP2_000282 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M22 compound treatment 0.46 0.982 0.87 0.908 1.44 1.37 1.766 2.234434169279 1.6190629273496 2.2288 0.9718 3076883 SMP2_000283 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M23 compound treatment 1.619 2.14 1.46 0.78 1.31 1.25 0.909 1.377434169279 1.36052765003374 2.3524 0.998 2059 SMP2_000284 CC(C)CC(N)C(O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 M24 compound treatment 0.154 0.676 0.6 -0.154 0.379 0.36 0.017 0.485434169278997 0.479475988257891 0.8306 0.9803 2350 SMP2_000285 Cc1c(C)c2OC(C)(CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)CCc2c(C)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N01 mock treatment -0.337 0.185 0.16 0.15 0.683 0.65 -0.187 0.281434169278997 0.277979868300185 0.6308 0.8685 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N02 mock treatment -0.627 -0.105 -0.09 -0.37 0.163 0.16 -0.444 0.024434169278997 0.0241342661966061 0.0502 0.2755 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N03 compound treatment -0.5 0.0224 0.02 -0.437 0.096 0.09 -0.712 -0.243565830721003 -0.240576322767438 -0.0746 -0.289 3076955 SMP2_000286 CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)CC23C(=O)O[C@@H]4OC(=O)[C@H](O)C413 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N04 compound treatment 1.37 1.89 1.42 1.357 1.89 1.54 0.87 1.338434169279 1.322006332983 2.4727 0.9981 907302 SMP2_000287 CN1CC[C@]2(C)C1N(C)c3ccc(O)cc32 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N05 compound treatment -0.609 -0.0866 -0.08 -0.16 0.373 0.36 -0.806 -0.337565830721003 -0.333422574120498 -0.0315 -0.0639 3199802 SMP2_000288 CSC(=S)NCc1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N06 compound treatment -0.571 -0.0486 -0.04 -0.348 0.185 0.18 -0.538 -0.069565830721003 -0.068711985156454 0.0373 0.1924 398 SMP2_000289 OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N07 compound treatment -0.836 -0.314 -0.28 -0.81 -0.277 -0.26 -0.61 -0.141565830721003 -0.139828262788585 -0.3931 -0.9648 1975 SMP2_000290 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1c5ccc(=O)oc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N08 compound treatment -0.591 -0.0686 -0.06 -0.597 -0.064 -0.06 -0.4 0.068434169278997 0.067594213638464 -0.0311 -0.2848 1026746 SMP2_000291 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N09 compound treatment -1.2 -0.678 -0.6 -1.155 -0.622 -0.59 -1.042 -0.573565830721003 -0.566525928581372 -1.015 -0.9997 810 SMP2_000292 CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N10 compound treatment -1.824 -1.3 -1.15 -1.843 -1.31 -1.25 -1.639 -1.170565830721 -1.15619839728113 -2.0524 -0.9993 3176068 SMP2_000293 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N11 compound treatment -0.345 0.177 0.16 -0.038 0.495 0.47 -0.229 0.239434169278997 0.236495373014776 0.4994 0.9073 2018 SMP2_000294 NC1=NC(=O)/C(=C/2\CCNC(=O)c3[nH]ccc23)/N1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N12 compound treatment -0.123 0.399 0.35 -0.592 -0.059 -0.06 -0.344 0.124434169278997 0.122906874019011 0.2424 0.6411 1090 SMP2_000295 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N13 compound treatment -0.558 -0.0356 -0.03 -0.83 -0.297 -0.28 -0.588 -0.119565830721003 -0.118098289067656 -0.2497 -0.8102 3199804 SMP2_000296 CC(C)CC(NC(=O)C(Cc1ccc(OP(O)(O)O)cc1)NC(=O)C2CCCN2C(=O)C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N14 compound treatment -0.545 -0.0226 -0.02 -0.259 0.274 0.26 -0.746 -0.277565830721003 -0.274159009427055 -0.0191 -0.0503 1000674 SMP2_000297 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N15 compound treatment -0.318 0.204 0.18 -0.436 0.097 0.09 -0.397 0.071434169278997 0.0705573918731362 0.1985 0.9234 1084811 SMP2_000298 Cc1c2[nH]c3ccc(O)cc3c2c(C)c4cnccc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N16 compound treatment -0.132 0.39 0.35 -0.052 0.481 0.46 -0.618 -0.149565830721003 -0.147730071414378 0.3786 0.639 3077040 SMP2_000299 CC(C)[C@H]1CN2CCC[C@H]2[C@@]3(O)O[C@](CC(=O)[C@H]4CN(C)[C@@H]5Cc6c[nH]c7cccc(C5=C4)c67)(C(C)C)C(=O)N13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N17 compound treatment 1.448 1.97 1.44 0.414 0.947 0.9 0.325 0.793434169278997 0.783695620350896 1.8023 0.9648 1108916 SMP2_000300 NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N18 compound treatment 0.18 0.702 0.62 -0.156 0.377 0.36 -0.168 0.300434169278997 0.296746663786442 0.7373 0.9496 3177114 SMP2_000301 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N19 compound treatment -0.528 -0.00555 0.0 -0.547 -0.014 -0.01 -0.158 0.310434169278997 0.306623924568683 0.1665 0.5425 3076041 SMP2_000302 COc1cc(/C=C/c2cccc[n+]2C)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N20 compound treatment -0.481 0.0414 0.04 -0.514 0.019 0.02 -0.387 0.081434169278997 0.0804346526553766 0.0781 0.8652 1734 SMP2_000303 Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N21 compound treatment -1.092 -0.57 -0.5 -1.213 -0.68 -0.65 -1.141 -0.672565830721003 -0.664310810325553 -1.0482 -0.993 3076048 SMP2_000304 OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N22 compound treatment -0.26 0.262 0.23 -0.794 -0.261 -0.25 -0.714 -0.245565830721003 -0.242551774923886 -0.1496 -0.3582 1000089 SMP2_000305 COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N23 compound treatment -0.53 -0.00755 -0.01 -0.254 0.279 0.27 -0.467 0.00143416927899698 0.00141656639745309 0.1504 0.5657 628 SMP2_000306 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 N24 compound treatment -0.33 0.192 0.17 -0.76 -0.227 -0.22 -0.558 -0.089565830721003 -0.088466506720935 -0.0777 -0.2688 1273 SMP2_000307 C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O01 mock treatment -0.476 0.0464 0.04 -0.286 0.247 0.24 -0.397 0.071434169278997 0.0705573918731362 0.2003 0.8042 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O02 mock treatment -0.402 0.12 0.11 -0.281 0.252 0.24 -0.22 0.248434169278997 0.245384907718792 0.3418 0.9508 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O03 compound treatment -0.494 0.0284 0.03 -0.279 0.254 0.24 -0.455 0.013434169278997 0.0132692793361416 0.1619 0.6644 1059696 SMP2_000308 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O04 compound treatment -0.4 0.122 0.11 -0.402 0.131 0.12 -0.509 -0.040565830721003 -0.0400679288879567 0.1114 0.6554 988 SMP2_000309 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O05 compound treatment -1.377 -0.855 -0.76 -1.392 -0.859 -0.82 -1.441 -0.972565830721003 -0.960628633792766 -1.4632 -0.9949 413 SMP2_000310 CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O06 compound treatment -0.475 0.0474 0.04 -0.607 -0.074 -0.07 -0.213 0.255434169278997 0.25229899026636 0.1292 0.487 3199805 SMP2_000311 NC(=O)OC[C@H]1[C@@H]2NC(=N)N[C@]23N(CCC3(O)O)C(=N)N1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O07 compound treatment -0.59 -0.0676 -0.06 -0.276 0.257 0.24 0.527 0.995434169278997 0.983216288152153 0.6746 0.6646 2081802 SMP2_000312 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O08 compound treatment 0.081 0.603 0.53 0.076 0.609 0.58 0.072 0.540434169278997 0.533800922560213 0.9512 0.9992 1080649 SMP2_000313 CC1(CC2(O)OC3O1)C4(CC2C34COC(=O)c5ccccc5)OC6OC(CO)C(O)C(O)C6O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O09 compound treatment -0.43 0.0924 0.08 -1.155 -0.622 -0.59 -0.733 -0.264565830721003 -0.261318570410143 -0.4458 -0.683 3076119 SMP2_000314 CNc1ccc2ccccc2c1N=Nc3ccc(N=Nc4ccccc4)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O10 compound treatment 0.453 0.975 0.86 -0.367 0.166 0.16 -0.385 0.083434169278997 0.0824101048118247 0.6368 0.7231 1072985 SMP2_000315 CC1C(O)C2(O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O11 compound treatment -0.75 -0.228 -0.2 -0.595 -0.062 -0.06 -0.618 -0.149565830721003 -0.147730071414378 -0.2355 -0.9183 3076122 SMP2_000316 CC(=C[C@H](C=C)C(C)(C)O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O12 compound treatment -1.474 -0.952 -0.84 -2.122 -1.59 -1.51 -2.073 -1.604565830721 -1.58487151523036 -2.2747 -0.969 3001166 SMP2_000317 C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(\C)/CC/C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O13 compound treatment -0.929 -0.407 -0.36 -0.979 -0.446 -0.42 -1.027 -0.558565830721003 -0.551710037408012 -0.7713 -0.9843 189 SMP2_000318 CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O14 compound treatment 0.054 0.576 0.51 -0.021 0.512 0.49 0.167 0.635434169278997 0.627634899991497 0.9382 0.9936 3199895 SMP2_000319 CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(N)CCCCN)C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O15 compound treatment -0.47 0.0524 0.05 -0.259 0.274 0.26 -0.444 0.024434169278997 0.0241342661966061 0.1914 0.719 2305 SMP2_000320 COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O16 compound treatment -0.4 0.122 0.11 -0.407 0.126 0.12 -0.618 -0.149565830721003 -0.147730071414378 0.0465 0.2125 3076126 SMP2_000321 Nc1ncnc2n([C@@H]3OC4COP(O)(S)O[C@@H]4C3O)c(nc12)N5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O17 compound treatment 0.921 1.44 1.28 0.714 1.25 1.19 0.597 1.065434169279 1.05235711362784 2.0303 0.9969 2080871 SMP2_000322 CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O18 compound treatment -0.541 -0.0186 -0.02 -0.508 0.025 0.02 -0.34 0.128434169278997 0.126857778331907 0.0775 0.596 3076175 SMP2_000323 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O19 compound treatment -0.407 0.115 0.1 -0.464 0.069 0.07 0.048 0.516434169278997 0.510095496682836 0.3914 0.7465 3199896 SMP2_000324 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O20 compound treatment 0.157 0.679 0.6 -0.432 0.101 0.1 0.013 0.481434169278997 0.475525083944994 0.6769 0.8767 3076177 SMP2_000325 COc1cc(ccc1O)c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OS(=O)(=O)O)cc3o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O21 compound treatment -0.546 -0.0236 -0.02 -0.431 0.102 0.1 0.098 0.566434169278997 0.559481800594038 0.3671 0.6461 2119025 SMP2_000326 Nc1nc(S)c2nc[nH]c2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O22 compound treatment -0.071 0.451 0.4 0.228 0.761 0.73 0.0 0.468434169278997 0.462684644928082 0.9162 0.9662 2081802 SMP2_000327 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O23 compound treatment 1.683 2.21 1.47 0.743 1.28 1.22 0.389 0.857434169278997 0.846910089357235 2.041 0.9771 316 SMP2_000328 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 O24 compound treatment -1.49 -0.968 -0.86 -1.724 -1.19 -1.13 -1.951 -1.482565830721 -1.46436893368703 -1.9944 -0.9774 1004963 SMP2_000329 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P01 mock treatment -0.403 0.119 0.11 -0.512 0.021 0.02 -0.582 -0.113565830721003 -0.112171932598312 0.0078 0.0501 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P02 mock treatment -0.211 0.311 0.28 -0.427 0.106 0.1 -0.18 0.288434169278997 0.284893950847754 0.3818 0.9337 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P03 compound treatment 0.865 1.39 1.23 1.826 2.36 1.62 0.889 1.357434169279 1.34077312846926 2.4149 0.9932 3199897 SMP2_000330 CS[C@]12CC3=CC=CC(O)[C@H]3N2C(=O)[C@@](CO)(SC)N(C)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P04 compound treatment 0.086 0.608 0.54 0.916 1.45 1.38 -0.013 0.455434169278997 0.449844205911169 1.3673 0.8831 2060488 SMP2_000331 CC(=CCC[C@@](C)(O)C=C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P05 compound treatment -0.357 0.165 0.15 -0.5 0.033 0.03 -0.427 0.041434169278997 0.0409256095264149 0.1263 0.8139 1968 SMP2_000332 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)[C@@H](O)C[C@@H](CC(=C)C=O)OC%11CC%10OC9C=CC[C@]8(C)OC7CC6OC15 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P06 compound treatment -0.231 0.291 0.26 -0.293 0.24 0.23 -0.383 0.085434169278997 0.0843855569682728 0.3295 0.929 1000053 SMP2_000333 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P07 compound treatment 1.671 2.19 1.47 3.16 3.69 1.75 1.126 1.594434169279 1.48525316709567 2.7178 0.9966 1977 SMP2_000334 CC12CCc3occc3[C@H]2CCC4(CC5CC[C@H]41)C[C@]5(O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P08 compound treatment -0.14 0.382 0.34 -0.373 0.16 0.15 0.398 0.866434169278997 0.855799624061251 0.7773 0.8334 1693 SMP2_000335 NCCCNCCSP(=O)(O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P09 compound treatment -0.176 0.346 0.31 -0.429 0.104 0.1 -0.073 0.395434169278997 0.390580641217727 0.4596 0.908 3199899 SMP2_000336 CC[C@@H]1[C@H](O)[C@@H](C)C/C(=C\C=C/C(=C(\OC(=O)\C(=C/C(=C\[C@H](C)C1O)/C)\OC)/[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)/C=C/C)/OC)/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P10 compound treatment 2.089 2.61 1.52 0.366 0.899 0.86 2.193 2.661434169279 1.68231097772088 2.3461 0.9668 446 SMP2_000337 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P11 compound treatment -0.42 0.102 0.09 -0.632 -0.099 -0.09 -0.087 0.381434169278997 0.37675247612259 0.2154 0.5401 360 SMP2_000338 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P12 compound treatment -0.716 -0.194 -0.17 -0.455 0.078 0.07 -0.53 -0.061565830721003 -0.0608101765306617 -0.091 -0.4636 3068886 SMP2_000339 CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P13 compound treatment 0.421 0.943 0.83 -0.338 0.195 0.19 -0.441 0.027434169278997 0.0270974444312783 0.6045 0.707 1817 SMP2_000340 CC(=O)O[C@@]12CO[C@H]2C[C@@H](O)[C@@]3(C)[C@H]1[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@H](O)C3=O)C5(C)C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P14 compound treatment -0.184 0.338 0.3 -0.338 0.195 0.19 0.324 0.792434169278997 0.782707894272672 0.7319 0.8528 3076236 SMP2_000341 COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P15 compound treatment 0.353 0.875 0.77 0.522 1.06 1.01 -0.471 -0.00256583072100297 -0.00253433791544304 1.0257 0.8085 832320 SMP2_000342 CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C)C(=O)N[C@@H](C(=O)C)C(=O)N[C@@H](CC(C)C)[C@@]1(O)O[C@H](C)[C@H](N[C@@]1(C)CO)C=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P16 compound treatment -0.227 0.295 0.26 0.567 1.1 1.05 0.451 0.919434169278997 0.908149106207126 1.2802 0.9072 2069 SMP2_000343 CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C2CCC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P17 compound treatment -0.5 0.0224 0.02 -0.878 -0.345 -0.33 -0.74 -0.271565830721003 -0.268232652957711 -0.3331 -0.7845 3199902 SMP2_000344 CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(N)CO)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NC(Cc4ccccc4)C(=O)NCC(=O)NC(Cc5ccccc5)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P18 compound treatment 1.5 2.02 1.44 1.353 1.89 1.54 0.84 1.308434169279 1.29237455063628 2.4679 0.9975 2100 SMP2_000345 COC(=O)CC(O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P19 compound treatment 1.711 2.23 1.48 5.932 6.47 1.89 -0.03 0.438434169278997 0.43305286258136 2.1925 0.9002 613 SMP2_000346 Oc1cc(/C=C/c2ccc(O)c(O)c2)oc(=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P20 compound treatment -0.431 0.0914 0.08 0.215 0.748 0.71 -0.016 0.452434169278997 0.446881027676497 0.7161 0.8474 3076242 SMP2_000347 CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]4CC[C@@](C)([C@@H](OC5OC(CO)C(O)C(O)C5O)c6ccoc6)[C@@]7(O[C@@H]7C(=O)O)[C@]4(C)C(=O)C[C@]13C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P21 compound treatment 0.0 0.522 0.46 0.0 0.533 0.51 0.884 1.352434169279 1.33583449807814 1.3311 0.8863 3199903 SMP2_000348 C/C=C(/C)\C(=O)O[C@H]1C(=C[C@]2([C@H](C)C[C@H]3[C@@H](C3(C)C)[C@]4(C)C=C(CO)[C@@H](O)[C@@]12O)C4=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P22 compound treatment 0.198 0.72 0.64 0.634 1.17 1.11 0.26 0.728434169278997 0.719493425266333 1.425 0.9697 1048361 SMP2_000349 c1ccc2c(c1)[nH]c3cnccc32 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P23 compound treatment 0.371 0.893 0.79 -0.66 -0.127 -0.12 -0.258 0.210434169278997 0.207851316746278 0.5062 0.6131 832145 SMP2_000350 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N21 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2099 P24 compound treatment 2.818 3.34 1.59 1.438 1.97 1.55 1.338 1.806434169279 1.53649689423681 2.7048 0.9999 2260 SMP2_000351 Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c65)c78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A01 compound treatment -0.825 -0.303 -0.27 -0.235 0.298 0.28 -0.408 0.060434169278997 0.0596924050126717 0.044 0.1114 3052787 PK04_100001 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A02 compound treatment -0.068 0.454 0.4 0.11 0.643 0.61 0.349 0.817434169278997 0.807401046228273 1.0518 0.9648 3052649 PK04_100002 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A03 compound treatment -0.197 0.325 0.29 0.379 0.912 0.87 -0.127 0.341434169278997 0.337243432993628 0.8625 0.8842 3176622 PK04_100003 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A04 compound treatment 0.044 0.566 0.5 0.541 1.07 1.02 0.667 1.135434169279 1.12149793910352 1.5274 0.9555 3175961 PK04_100004 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A05 compound treatment -0.405 0.117 0.1 -0.475 0.058 0.06 -0.468 4.34169278996976E-4 4.28840319229044E-4 0.0921 0.7831 3176556 PK04_100005 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A06 compound treatment 0.53 1.05 0.93 0.578 1.11 1.06 0.282 0.750434169278997 0.741223398987262 1.5762 0.9899 3176630 PK04_100006 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A07 compound treatment 0.276 0.798 0.71 0.279 0.812 0.77 0.707 1.175434169279 1.16100698223248 1.5245 0.975 3175901 PK04_100007 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A08 compound treatment -0.414 0.108 0.1 -0.613 -0.08 -0.08 -0.535 -0.066565830721003 -0.0657488069217819 -0.0266 -0.1912 3176729 PK04_100008 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A09 compound treatment 0.486 1.01 0.89 0.533 1.07 1.02 -0.055 0.413434169278997 0.408359710625759 1.3369 0.9469 3052580 PK04_100009 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A10 compound treatment 1.569 2.09 1.46 0.986 1.52 1.45 2.471 2.939434169279 1.71634445815997 2.6667 0.9967 3176731 PK04_100010 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A11 compound treatment -0.115 0.407 0.36 0.073 0.606 0.58 0.091 0.559434169278997 0.55256771804647 0.8603 0.9814 3176633 PK04_100011 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A12 compound treatment 0.322 0.844 0.75 0.746 1.28 1.22 0.517 0.985434169278997 0.973339027369913 1.6965 0.9812 3176445 PK04_100012 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A13 mock treatment -0.914 -0.392 -0.35 -0.736 -0.203 -0.19 -0.762 -0.293565830721003 -0.28996262667864 -0.4789 -0.9749 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A14 mock treatment -0.526 -0.00355 0.0 -0.424 0.109 0.1 -0.732 -0.263565830721003 -0.260330844331919 -0.0921 -0.3287 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A15 compound treatment 1.11 1.63 1.37 1.197 1.73 1.51 0.529 0.997434169278997 0.985191740308601 2.23 0.9856 3175963 PK04_100013 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A16 compound treatment 0.235 0.757 0.67 0.068 0.601 0.57 -0.49 -0.021565830721003 -0.0213011334016999 0.7049 0.7998 3052785 PK04_100014 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A17 compound treatment 2.613 3.14 1.58 2.433 2.97 1.69 2.267 2.735434169279 1.69184294625617 2.8621 0.9995 3052837 PK04_100015 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A18 compound treatment -0.742 -0.22 -0.19 -0.806 -0.273 -0.26 -0.487 -0.018565830721003 -0.0183379551670278 -0.2728 -0.8393 3176262 PK04_100016 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A19 compound treatment 6.237 6.76 1.76 4.545 5.08 1.83 5.333 5.801434169279 1.91402755213557 3.1787 0.9994 3176686 PK04_100017 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A20 compound treatment -0.115 0.407 0.36 -0.328 0.205 0.2 -0.16 0.308434169278997 0.304648472412235 0.4966 0.9726 3176371 PK04_100018 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A21 compound treatment -0.158 0.364 0.32 -0.491 0.042 0.04 -0.267 0.201434169278997 0.198961782042262 0.324 0.8509 3052829 PK04_100019 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A22 compound treatment -0.354 0.168 0.15 -0.318 0.215 0.2 -0.146 0.322434169278997 0.318476637507371 0.3881 0.9539 3052833 PK04_100020 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A23 compound treatment 0.235 0.757 0.67 0.263 0.796 0.76 0.463 0.931434169278997 0.920001819145814 1.3556 0.9913 3052878 PK04_100021 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 A24 compound treatment -0.548 -0.0256 -0.02 -0.397 0.136 0.13 -0.617 -0.148565830721003 -0.146742345336153 -0.0229 -0.1164 3052694 PK04_100022 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B01 compound treatment 3.865 4.39 1.66 1.55 2.08 1.57 5.099 5.567434169279 1.90368078211274 2.9681 0.9967 3052928 PK04_100023 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B02 compound treatment -0.129 0.393 0.35 0.0 0.533 0.51 0.111 0.579434169278997 0.572322239610951 0.8244 0.9809 3052800 PK04_100024 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B03 compound treatment -0.704 -0.182 -0.16 -0.383 0.15 0.14 -0.667 -0.198565830721003 -0.196128649247356 -0.1234 -0.424 3052842 PK04_100025 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B04 compound treatment -0.463 0.0594 0.05 -0.479 0.054 0.05 -0.785 -0.316565830721003 -0.312680326477793 -0.1205 -0.375 3176782 PK04_100026 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B05 compound treatment -0.729 -0.207 -0.18 -0.594 -0.061 -0.06 -1.0 -0.531565830721003 -0.525041433295962 -0.4421 -0.791 3175971 PK04_100027 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B06 compound treatment -0.429 0.0934 0.08 0.033 0.566 0.54 -0.28 0.188434169278997 0.186121343025349 0.4665 0.8093 3176561 PK04_100028 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B07 compound treatment -1.07 -0.548 -0.48 -0.224 0.309 0.29 -0.918 -0.449565830721003 -0.444047894881591 -0.3659 -0.5083 3176369 PK04_100029 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B08 compound treatment -0.561 -0.0386 -0.03 -0.216 0.317 0.3 -0.122 0.346434169278997 0.342182063384748 0.3523 0.7697 3176441 PK04_100030 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B09 compound treatment 0.0 0.522 0.46 0.054 0.587 0.56 0.095 0.563434169278997 0.556518622359366 0.9109 0.9963 3052641 PK04_100031 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B10 compound treatment 1.716 2.24 1.48 2.662 3.2 1.71 1.795 2.263434169279 1.62387196330299 2.7778 0.9982 3176555 PK04_100032 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B11 compound treatment 0.392 0.914 0.81 0.467 1.0 0.95 0.29 0.758434169278997 0.749125207613054 1.4493 0.9948 3176554 PK04_100033 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B12 compound treatment 1.609 2.13 1.46 2.319 2.85 1.68 2.732 3.200434169279 1.74439764735458 2.8186 0.9973 3052747 PK04_100034 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B13 mock treatment -0.57 -0.0476 -0.04 -0.929 -0.396 -0.38 -0.829 -0.360565830721003 -0.356140273919651 -0.4477 -0.8601 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B14 mock treatment -1.641 -1.12 -0.99 -1.567 -1.03 -0.98 -1.442 -0.973565830721003 -0.96161635987099 -1.6948 -0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B15 compound treatment -0.973 -0.451 -0.4 -0.987 -0.454 -0.43 -0.931 -0.462565830721003 -0.456888333898503 -0.7434 -0.9984 3052707 PK04_100035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B16 compound treatment 0.563 1.09 0.96 0.2 0.733 0.7 -0.164 0.304434169278997 0.300697568099339 1.1308 0.9236 3176447 PK04_100036 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B17 compound treatment -0.489 0.0334 0.03 -0.75 -0.217 -0.21 -0.778 -0.309565830721003 -0.305766243930225 -0.2788 -0.753 3176194 PK04_100037 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B18 compound treatment -0.333 0.189 0.17 -0.131 0.402 0.38 -0.793 -0.324565830721003 -0.320582135103585 0.1327 0.252 3176504 PK04_100038 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B19 compound treatment -0.476 0.0464 0.04 -0.154 0.379 0.36 -0.606 -0.137565830721003 -0.135877358475689 0.1537 0.3962 3176439 PK04_100039 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B20 compound treatment -0.231 0.291 0.26 -0.297 0.236 0.22 0.151 0.619434169278997 0.611831282739912 0.6318 0.9014 3176678 PK04_100040 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B21 compound treatment -0.5 0.0224 0.02 -0.444 0.089 0.08 -0.481 -0.012565830721003 -0.0124115986976835 0.0533 0.6053 3176260 PK04_100041 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B22 compound treatment 2.562 3.08 1.57 3.147 3.68 1.75 2.329 2.797434169279 1.69955484407931 2.8999 0.999 3176621 PK04_100042 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B23 compound treatment -0.838 -0.316 -0.28 -1.086 -0.553 -0.53 -1.0 -0.531565830721003 -0.525041433295962 -0.7683 -0.9673 3176370 PK04_100043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 B24 compound treatment 1.422 1.94 1.43 1.257 1.79 1.52 1.356 1.824434169279 1.54048134253097 2.5927 0.9995 3176636 PK04_100044 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C01 compound treatment -0.027 0.495 0.44 0.122 0.655 0.62 0.413 0.881434169278997 0.870615515234612 1.1158 0.9642 3052532 PK04_100045 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C02 compound treatment -0.08 0.442 0.39 -0.167 0.366 0.35 0.123 0.591434169278997 0.584174952549639 0.7644 0.9741 3052638 PK04_100046 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C03 compound treatment -0.951 -0.429 -0.38 -0.806 -0.273 -0.26 -0.972 -0.503565830721003 -0.497385103105689 -0.656 -0.9688 3052540 PK04_100047 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C04 compound treatment -0.014 0.508 0.45 0.126 0.659 0.63 0.182 0.650434169278997 0.642450791164858 0.9929 0.9885 3052751 PK04_100048 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C05 compound treatment 0.317 0.839 0.74 0.267 0.8 0.76 0.11 0.578434169278997 0.571334513532727 1.1984 0.9924 3052702 PK04_100049 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C06 compound treatment 0.524 1.05 0.93 0.161 0.694 0.66 0.057 0.525434169278997 0.518985031386852 1.2155 0.9724 3176680 PK04_100050 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C07 compound treatment -0.398 0.124 0.11 -0.294 0.239 0.23 0.066 0.534434169278997 0.527874566090869 0.4998 0.8538 3052743 PK04_100051 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C08 compound treatment -0.369 0.153 0.14 -0.123 0.41 0.39 0.691 1.159434169279 1.1452033649809 0.965 0.7926 3176043 PK04_100052 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C09 compound treatment -0.342 0.18 0.16 0.547 1.08 1.03 0.757 1.225434169279 1.21039328614368 1.385 0.8674 3052925 PK04_100053 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C10 compound treatment 1.313 1.84 1.41 0.912 1.45 1.38 0.551 1.019434169279 1.00692171402953 2.1913 0.9897 3176324 PK04_100054 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C11 mock treatment 1.137 1.66 1.38 1.493 2.03 1.56 0.658 1.126434169279 1.1126084043995 2.3399 0.9908 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C12 mock treatment -1.145 -0.623 -0.55 -1.639 -1.11 -1.05 -1.756 -1.287565830721 -1.27176234843334 -1.6603 -0.9538 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C13 compound treatment -0.249 0.273 0.24 0.702 1.24 1.18 0.452 0.920434169278997 0.90913683228535 1.3438 0.892 3176376 PK04_100055 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C14 compound treatment 0.148 0.67 0.59 0.189 0.722 0.69 0.028 0.496434169278997 0.490340975118355 1.0225 0.9908 3176324 PK04_100056 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C15 mock treatment -0.41 0.112 0.1 -0.216 0.317 0.3 -0.393 0.075434169278997 0.0745082961860324 0.2748 0.8414 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C16 mock treatment -0.373 0.149 0.13 -0.349 0.184 0.18 -0.281 0.187434169278997 0.185133616947125 0.2844 0.9903 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C17 compound treatment -0.355 0.167 0.15 -0.469 0.064 0.06 -0.403 0.065434169278997 0.0646310354037919 0.158 0.9151 3052884 PK04_100057 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C18 compound treatment -0.694 -0.172 -0.15 -0.9 -0.367 -0.35 0.083 0.551434169278997 0.544665909420677 0.0251 0.0377 3176562 PK04_100058 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C19 compound treatment 2.185 2.71 1.54 0.331 0.864 0.82 0.051 0.519434169278997 0.513058674917508 1.658 0.9129 3176124 PK04_100059 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C20 compound treatment -0.332 0.19 0.17 0.082 0.615 0.59 0.083 0.551434169278997 0.544665909420677 0.75 0.9174 3052784 PK04_100060 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C21 compound treatment -0.99 -0.468 -0.41 -0.656 -0.123 -0.12 -0.73 -0.261565830721003 -0.25835539217547 -0.4554 -0.9085 3052792 PK04_100061 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C22 compound treatment 0.586 1.11 0.98 0.271 0.804 0.77 0.333 0.801434169278997 0.791597428976688 1.4651 0.9937 3052749 PK04_100062 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C23 compound treatment 0.024 0.546 0.48 0.091 0.624 0.59 -0.215 0.253434169278997 0.250323538109912 0.7667 0.9513 3176204 PK04_100063 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 C24 compound treatment -0.25 0.272 0.24 -0.5 0.033 0.03 -0.5 -0.031565830721003 -0.0311783941839403 0.1392 0.5685 3176041 PK04_100064 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D01 compound treatment 0.404 0.926 0.82 -0.205 0.328 0.31 -0.036 0.432434169278997 0.427126506112016 0.8999 0.9228 3052926 PK04_100065 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D02 compound treatment -0.267 0.255 0.23 -0.152 0.381 0.36 -0.389 0.079434169278997 0.0784592004989285 0.3853 0.8864 3176201 PK04_100066 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D03 compound treatment -0.382 0.14 0.12 -0.549 -0.016 -0.02 0.159 0.627434169278997 0.619733091365705 0.4207 0.6654 3052885 PK04_100067 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D04 compound treatment -0.643 -0.121 -0.11 -0.619 -0.086 -0.08 -0.556 -0.087565830721003 -0.0864910545644869 -0.1587 -0.9932 3176377 PK04_100068 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D05 compound treatment -0.333 0.189 0.17 -0.227 0.306 0.29 -0.453 0.015434169278997 0.0152447314925897 0.2738 0.8136 3052790 PK04_100069 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D06 compound treatment -0.297 0.225 0.2 -0.386 0.147 0.14 0.239 0.707434169278997 0.698751177623628 0.5994 0.81 3052881 PK04_100070 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D07 compound treatment 1.057 1.58 1.36 0.25 0.783 0.75 -0.133 0.335434169278997 0.331317076524284 1.4067 0.8873 3052536 PK04_100071 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D08 compound treatment -0.636 -0.114 -0.1 -0.511 0.022 0.02 -0.101 0.367434169278997 0.362924311027453 0.1637 0.4341 3052923 PK04_100072 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D09 compound treatment -0.726 -0.204 -0.18 -1.0 -0.467 -0.44 -0.002 0.466434169278997 0.460709192771634 -0.0947 -0.1424 3052690 PK04_100073 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D10 compound treatment 0.5 1.02 0.9 2.162 2.7 1.66 -0.038 0.430434169278997 0.425151053955568 1.7248 0.8909 3052841 PK04_100074 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D11 mock treatment -0.543 -0.0206 -0.02 -1.21 -0.677 -0.64 -0.973 -0.504565830721003 -0.498372829183913 -0.6706 -0.8225 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D12 mock treatment 4.735 5.26 1.71 2.591 3.12 1.7 3.103 3.571434169279 1.77910592605871 2.9956 0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D13 compound treatment 0.521 1.04 0.92 0.169 0.702 0.67 -0.136 0.332434169278997 0.328353898289612 1.1083 0.9347 3176624 PK04_100075 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D14 compound treatment -1.076 -0.554 -0.49 -1.09 -0.557 -0.53 -0.986 -0.517565830721003 -0.511213268200826 -0.884 -0.9995 3176375 PK04_100076 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D15 mock treatment -0.78 -0.258 -0.23 -0.865 -0.332 -0.32 -1.078 -0.609565830721003 -0.602084067397438 -0.6617 -0.9226 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D16 mock treatment -0.935 -0.413 -0.36 -0.779 -0.246 -0.23 -1.462 -0.993565830721003 -0.981370881435471 -0.9125 -0.8505 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D17 compound treatment -0.682 -0.16 -0.14 -0.184 0.349 0.33 -0.581 -0.112565830721003 -0.111184206520088 0.0463 0.1226 3176503 PK04_100077 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D18 compound treatment 0.135 0.657 0.58 -0.25 0.283 0.27 -0.471 -0.00256583072100297 -0.00253433791544304 0.4898 0.7644 3052543 PK04_100078 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D19 compound treatment 0.095 0.617 0.55 -0.498 0.035 0.03 -0.634 -0.165565830721003 -0.163533688665962 0.24 0.4205 3052538 PK04_100079 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D20 compound treatment -0.684 -0.162 -0.14 -0.468 0.065 0.06 -0.446 0.022434169278997 0.022158814040158 -0.0339 -0.2155 3052705 PK04_100080 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D21 compound treatment -0.425 0.0974 0.09 -0.67 -0.137 -0.13 -0.067 0.401434169278997 0.396506997687071 0.2033 0.4771 3052691 PK04_100081 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D22 compound treatment 1.134 1.66 1.38 -0.105 0.428 0.41 0.138 0.606434169278997 0.598990843723 1.3758 0.8846 3052534 PK04_100082 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D23 compound treatment -0.66 -0.138 -0.12 0.091 0.624 0.59 -0.353 0.115434169278997 0.114017339314994 0.3389 0.5488 3176202 PK04_100083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 D24 compound treatment 1.109 1.63 1.37 0.276 0.809 0.77 0.93 1.398434169279 1.38126989767644 2.0339 0.9717 3176197 PK04_100084 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E01 mock treatment -1.076 -0.554 -0.49 -0.253 0.28 0.27 -0.714 -0.245565830721003 -0.242551774923886 -0.2686 -0.4418 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E02 mock treatment -1.0 -0.478 -0.42 -1.229 -0.696 -0.66 -0.985 -0.516565830721003 -0.510225542122602 -0.9211 -0.9829 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E03 compound treatment 0.028 0.55 0.49 -0.055 0.478 0.46 -0.083 0.385434169278997 0.380703380435486 0.7637 0.995 3176672 PK04_100085 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E04 compound treatment -0.712 -0.19 -0.17 -0.439 0.094 0.09 0.29 0.758434169278997 0.749125207613054 0.3875 0.5014 3052883 PK04_100086 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E05 compound treatment -0.839 -0.317 -0.28 -1.019 -0.486 -0.46 -0.447 0.021434169278997 0.021171087961934 -0.4166 -0.7696 3176126 PK04_100087 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E06 compound treatment 0.4 0.922 0.82 0.265 0.798 0.76 -0.103 0.365434169278997 0.360948858871005 1.1182 0.9542 3052533 PK04_100088 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E07 compound treatment 0.259 0.781 0.69 0.014 0.547 0.52 0.529 0.997434169278997 0.985191740308601 1.2686 0.9674 3175839 PK04_100089 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E08 compound treatment 0.027 0.549 0.49 -0.091 0.442 0.42 -0.226 0.242434169278997 0.239458551249448 0.6618 0.9647 3052695 PK04_100090 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E09 mock treatment -0.985 -0.463 -0.41 -1.114 -0.581 -0.55 -0.85 -0.381565830721003 -0.376882521562356 -0.7732 -0.9855 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E10 mock treatment -0.65 -0.128 -0.11 -0.5 0.033 0.03 -0.303 0.165434169278997 0.163403643226196 0.0474 0.2358 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E11 compound treatment -0.511 0.0114 0.01 -0.586 -0.053 -0.05 -0.72 -0.251565830721003 -0.24847813139323 -0.1667 -0.6571 3176568 PK04_100091 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E12 compound treatment -0.419 0.103 0.09 -0.127 0.406 0.39 -0.288 0.180434169278997 0.178219534399557 0.379 0.8701 3176044 PK04_100092 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E13 compound treatment -1.159 -0.637 -0.56 0.143 0.676 0.64 -0.097 0.371434169278997 0.366875215340349 0.2587 0.278 3052753 PK04_100093 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E14 compound treatment 0.471 0.993 0.88 0.655 1.19 1.13 0.587 1.055434169279 1.0424798528456 1.7624 0.9947 3175962 PK04_100094 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E15 compound treatment 0.912 1.43 1.27 1.026 1.56 1.47 0.178 0.646434169278997 0.638499886851962 1.9478 0.9541 3176325 PK04_100095 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E16 compound treatment 0.358 0.88 0.78 0.319 0.852 0.81 0.185 0.653434169278997 0.64541396939953 1.2907 0.9954 3052542 PK04_100096 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E17 mock treatment -0.459 0.0634 0.06 -0.412 0.121 0.12 -0.041 0.427434169278997 0.422187875720896 0.3427 0.7767 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E18 mock treatment -0.141 0.381 0.34 -0.112 0.421 0.4 -0.146 0.322434169278997 0.318476637507371 0.6102 0.995 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E19 compound treatment 0.892 1.41 1.25 0.918 1.45 1.38 1.022 1.490434169279 1.45676398682922 2.3611 0.998 3052746 PK04_100097 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E20 compound treatment 0.132 0.654 0.58 0.286 0.819 0.78 0.064 0.532434169278997 0.525899113934421 1.0882 0.9851 3176676 PK04_100098 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E21 compound treatment 0.134 0.656 0.58 -0.431 0.102 0.1 -0.39 0.078434169278997 0.0774714744207045 0.4359 0.7345 3052756 PK04_100099 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E22 compound treatment -0.767 -0.245 -0.22 -0.451 0.082 0.08 -0.429 0.039434169278997 0.0389501573699668 -0.0572 -0.2454 3176560 PK04_100100 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E23 compound treatment 0.769 1.29 1.14 0.22 0.753 0.72 0.339 0.807434169278997 0.797523785446033 1.5338 0.9791 3052487 PK04_100101 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 E24 compound treatment -0.34 0.182 0.16 0.333 0.866 0.83 -0.096 0.372434169278997 0.367862941418573 0.7819 0.852 3176563 PK04_100102 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F01 mock treatment -1.213 -0.691 -0.61 -1.427 -0.894 -0.85 -1.278 -0.809565830721003 -0.799629283042247 -1.3058 -0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F02 mock treatment -1.658 -1.14 -1.0 -1.211 -0.678 -0.65 -1.429 -0.960565830721003 -0.948775920854077 -1.5003 -0.9839 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F03 compound treatment 0.444 0.966 0.85 0.345 0.878 0.84 -0.317 0.151434169278997 0.14957547813106 1.0626 0.8818 3176684 PK04_100103 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F04 compound treatment -0.257 0.265 0.23 -0.085 0.448 0.43 -1.077 -0.608565830721003 -0.601096341319214 0.0349 0.0451 3176121 PK04_100104 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F05 compound treatment -0.846 -0.324 -0.29 -0.77 -0.237 -0.23 -0.489 -0.020565830721003 -0.0203134073234758 -0.3072 -0.8418 3176435 PK04_100105 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F06 compound treatment -0.323 0.199 0.18 -0.203 0.33 0.31 -0.351 0.117434169278997 0.115992791471442 0.3503 0.925 3176627 PK04_100106 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F07 compound treatment -0.567 -0.0446 -0.04 -0.78 -0.247 -0.24 -0.595 -0.126565830721003 -0.125012371615224 -0.2307 -0.8568 3176774 PK04_100107 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F08 compound treatment -0.5 0.0224 0.02 -0.2 0.333 0.32 -0.588 -0.119565830721003 -0.118098289067656 0.1265 0.3729 3174822 PK04_100108 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F09 mock treatment -1.018 -0.496 -0.44 -0.778 -0.245 -0.23 -0.896 -0.427565830721003 -0.422317921160662 -0.6315 -0.969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F10 mock treatment -0.824 -0.302 -0.27 -0.729 -0.196 -0.19 -0.511 -0.042565830721003 -0.0420433810444048 -0.286 -0.8714 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F11 compound treatment -0.474 0.0484 0.04 -0.377 0.156 0.15 -0.368 0.100434169278997 0.0992014481416335 0.1678 0.9132 3176192 PK04_100109 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F12 compound treatment 3.47 3.99 1.64 3.118 3.65 1.75 5.0 5.468434169279 1.89911150412088 3.0532 0.9982 3052594 PK04_100110 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F13 compound treatment -0.64 -0.118 -0.1 -0.257 0.276 0.26 -0.114 0.354434169278997 0.350083872010541 0.2939 0.6532 3052748 PK04_100111 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F14 compound treatment -0.378 0.144 0.13 -0.047 0.486 0.46 0.08 0.548434169278997 0.541702731186005 0.6538 0.9031 3176567 PK04_100112 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F15 compound treatment -0.147 0.375 0.33 -0.492 0.041 0.04 -0.606 -0.137565830721003 -0.135877358475689 0.1358 0.3763 3052759 PK04_100113 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F16 compound treatment -1.041 -0.519 -0.46 -0.905 -0.372 -0.35 -1.186 -0.717565830721003 -0.708758483845634 -0.8785 -0.9596 3176780 PK04_100114 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F17 mock treatment -0.159 0.363 0.32 -0.194 0.339 0.32 -0.047 0.421434169278997 0.416261519251552 0.6123 0.9922 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F18 mock treatment -0.277 0.245 0.22 -0.417 0.116 0.11 -0.143 0.325434169278997 0.321439815742043 0.3747 0.9291 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F19 compound treatment -0.656 -0.134 -0.12 -0.352 0.181 0.17 -0.209 0.259434169278997 0.256249894579256 0.1794 0.5424 3176625 PK04_100115 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F20 compound treatment -1.043 -0.521 -0.46 -0.869 -0.336 -0.32 -0.87 -0.401565830721003 -0.396637043126837 -0.6795 -0.9895 3052750 PK04_100116 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F21 compound treatment -1.013 -0.491 -0.43 -1.037 -0.504 -0.48 -1.429 -0.960565830721003 -0.948775920854077 -1.0754 -0.9364 3052889 PK04_100117 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F22 compound treatment 2.816 3.34 1.59 2.426 2.96 1.69 2.25 2.718434169279 1.68968539931412 2.8703 0.9996 3052696 PK04_100118 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F23 compound treatment -0.219 0.303 0.27 -0.295 0.238 0.23 -0.274 0.194434169278997 0.192047699494694 0.3967 0.9909 3176674 PK04_100119 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 F24 compound treatment 3.492 4.01 1.64 2.63 3.16 1.71 4.094 4.562434169279 1.85085815058986 3.0025 0.9987 3176436 PK04_100120 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G01 compound treatment -0.848 -0.326 -0.29 -0.807 -0.274 -0.26 -0.795 -0.326565830721003 -0.322557587260033 -0.5031 -0.9963 3052845 PK04_100121 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G02 compound treatment 0.34 0.862 0.76 0.517 1.05 1.0 0.805 1.273434169279 1.25780413789844 1.744 0.9804 3052835 PK04_100122 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G03 mock treatment -0.918 -0.396 -0.35 -0.729 -0.196 -0.19 -0.653 -0.184565830721003 -0.182300484152219 -0.4149 -0.951 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G04 mock treatment -0.903 -0.381 -0.34 -0.873 -0.34 -0.32 -0.78 -0.311565830721003 -0.307741696086673 -0.5589 -0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G05 compound treatment -0.083 0.439 0.39 0.188 0.721 0.69 0.25 0.718434169278997 0.709616164484093 1.0306 0.9711 3176502 PK04_100123 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G06 compound treatment 0.429 0.951 0.84 0.567 1.1 1.05 0.367 0.835434169278997 0.825180115636306 1.5671 0.9938 3176265 PK04_100124 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G07 compound treatment -0.217 0.305 0.27 -0.456 0.077 0.07 0.033 0.501434169278997 0.495279605509475 0.4842 0.8512 3052742 PK04_100125 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G08 compound treatment 0.827 1.35 1.19 1.141 1.67 1.49 0.532 1.000434169279 0.988154918543273 2.1218 0.9859 3052639 PK04_100126 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G09 compound treatment 1.238 1.76 1.4 1.0 1.53 1.46 0.914 1.382434169279 1.36546628042486 2.4384 0.9996 3176200 PK04_100127 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G10 compound treatment 0.724 1.25 1.1 1.145 1.68 1.49 0.891 1.359434169279 1.34274858062571 2.2745 0.9925 3052650 PK04_100128 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G11 compound treatment 0.649 1.17 1.04 0.492 1.03 0.98 0.69 1.158434169279 1.14421563890267 1.8224 0.9978 3176683 PK04_100129 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G12 compound treatment 0.185 0.707 0.63 0.085 0.618 0.59 -0.041 0.427434169278997 0.422187875720896 0.9448 0.9871 3176631 PK04_100130 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G13 compound treatment -0.286 0.236 0.21 -0.563 -0.03 -0.03 0.135 0.603434169278997 0.596027665488328 0.4483 0.7091 3176045 PK04_100131 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G14 compound treatment -0.647 -0.125 -0.11 0.046 0.579 0.55 0.129 0.597434169278997 0.590101309018984 0.5956 0.7306 3176196 PK04_100132 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G15 compound treatment 0.296 0.818 0.72 0.347 0.88 0.84 0.342 0.810434169278997 0.800486963680705 1.364 0.9982 3176446 PK04_100133 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G16 compound treatment 0.131 0.653 0.58 0.0 0.533 0.51 0.078 0.546434169278997 0.539727279029557 0.9383 0.9986 3052834 PK04_100134 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G17 compound treatment 1.213 1.74 1.39 0.507 1.04 0.99 0.565 1.033434169279 1.02074987912467 1.9653 0.9873 3052640 PK04_100135 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G18 compound treatment 0.563 1.09 0.96 0.294 0.827 0.79 0.276 0.744434169278997 0.735297042517918 1.4335 0.9934 3176727 PK04_100136 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G19 mock treatment -0.464 0.0584 0.05 -0.18 0.353 0.34 -0.984 -0.515565830721003 -0.509237816044378 -0.07 -0.1143 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G20 mock treatment 0.365 0.887 0.78 -0.307 0.226 0.22 0.074 0.542434169278997 0.535776374716661 0.8866 0.9102 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G21 compound treatment -0.602 -0.0796 -0.07 -0.203 0.33 0.31 -0.042 0.426434169278997 0.421200149642672 0.3841 0.7243 3176272 PK04_100137 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G22 compound treatment 0.551 1.07 0.95 1.033 1.57 1.47 0.535 1.003434169279 0.991118096777945 1.9681 0.9792 3176261 PK04_100138 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G23 compound treatment -0.107 0.415 0.37 -0.138 0.395 0.38 -0.333 0.135434169278997 0.133771860879475 0.5066 0.9336 3176513 PK04_100139 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 G24 compound treatment -0.629 -0.107 -0.09 -0.582 -0.049 -0.05 0.363 0.831434169278997 0.82122921132341 0.3928 0.4745 3052924 PK04_100140 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H01 compound treatment 0.053 0.575 0.51 -0.324 0.209 0.2 -0.324 0.144434169278997 0.142661395583491 0.4911 0.8697 3176557 PK04_100141 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H02 compound treatment -1.012 -0.49 -0.43 -0.777 -0.244 -0.23 -0.943 -0.474565830721003 -0.468741046837192 -0.6547 -0.9642 3052875 PK04_100142 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H03 mock treatment -1.364 -0.842 -0.74 -1.136 -0.603 -0.57 -1.393 -0.924565830721003 -0.913217782038012 -1.2884 -0.9831 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H04 mock treatment -1.738 -1.22 -1.07 -1.384 -0.851 -0.81 -1.55 -1.081565830721 -1.06829077631919 -1.7053 -0.9923 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H05 compound treatment 0.559 1.08 0.96 0.027 0.56 0.53 0.172 0.640434169278997 0.632573530382617 1.2253 0.969 3052652 PK04_100143 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H06 compound treatment 0.309 0.831 0.74 -0.066 0.467 0.44 -0.144 0.324434169278997 0.320452089663819 0.8663 0.9446 3052786 PK04_100144 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H07 compound treatment 1.482 2.0 1.44 0.9 1.43 1.37 -0.01 0.458434169278997 0.452807384145841 1.8818 0.9241 3176328 PK04_100145 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H08 compound treatment -0.853 -0.331 -0.29 -0.326 0.207 0.2 0.512 0.980434169278997 0.968400396978792 0.5043 0.4893 3176321 PK04_100146 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H09 compound treatment -0.706 -0.184 -0.16 0.453 0.986 0.94 0.264 0.732434169278997 0.723444329579229 0.8663 0.7239 3176735 PK04_100147 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H10 compound treatment 3.417 3.94 1.64 2.18 2.71 1.66 1.742 2.210434169279 1.61501791663817 2.8367 0.9999 3175969 PK04_100148 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H11 compound treatment -0.026 0.496 0.44 -0.475 0.058 0.06 -0.438 0.030434169278997 0.0300606226659504 0.3027 0.6827 3176193 PK04_100149 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H12 compound treatment 1.569 2.09 1.46 2.859 3.39 1.73 2.025 2.493434169279 1.65922677054553 2.7955 0.9974 3176050 PK04_100150 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H13 compound treatment 1.862 2.38 1.5 1.827 2.36 1.62 1.533 2.001434169279 1.57706340431184 2.7075 0.9995 3176569 PK04_100151 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H14 compound treatment -0.57 -0.0476 -0.04 -0.43 0.103 0.1 -0.521 -0.052565830721003 -0.0519206418266453 0.0024 0.0204 3052874 PK04_100152 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H15 compound treatment -1.031 -0.509 -0.45 -0.753 -0.22 -0.21 -1.386 -0.917565830721003 -0.906303699490443 -0.9038 -0.8748 3052832 PK04_100153 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H16 compound treatment -0.333 0.189 0.17 -0.361 0.172 0.16 -0.542 -0.073565830721003 -0.0726628894693502 0.1494 0.6088 3176267 PK04_100154 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H17 compound treatment -0.29 0.232 0.21 -0.167 0.366 0.35 -0.283 0.185434169278997 0.183158164790677 0.4257 0.9582 3176378 PK04_100155 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H18 compound treatment 0.246 0.768 0.68 -0.159 0.374 0.36 -0.353 0.115434169278997 0.114017339314994 0.6638 0.8559 3176322 PK04_100156 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H19 mock treatment -0.091 0.431 0.38 -0.683 -0.15 -0.14 0.433 0.901434169278997 0.890370036799093 0.6518 0.6657 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H20 mock treatment -1.313 -0.791 -0.7 -0.667 -0.134 -0.13 -0.791 -0.322565830721003 -0.318606682947137 -0.6611 -0.8491 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H21 compound treatment 0.084 0.606 0.54 0.164 0.697 0.66 0.609 1.077434169279 1.06420982656652 1.3074 0.9584 3052801 PK04_100157 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H22 compound treatment -0.174 0.348 0.31 0.241 0.774 0.74 0.068 0.536434169278997 0.529850018247317 0.9095 0.9485 3176726 PK04_100158 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H23 compound treatment -0.449 0.0734 0.06 -0.25 0.283 0.27 -0.299 0.169434169278997 0.167354547539093 0.2898 0.8946 3176558 PK04_100159 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 H24 compound treatment -0.081 0.441 0.39 0.206 0.739 0.7 -0.075 0.393434169278997 0.388605189061278 0.8562 0.9578 3052704 PK04_100160 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I01 compound treatment -1.344 -0.822 -0.73 -0.239 0.294 0.28 -0.121 0.347434169278997 0.343169789462972 -0.0595 -0.0699 3052648 PK04_100161 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I02 compound treatment 0.863 1.39 1.22 1.259 1.79 1.52 1.373 1.841434169279 1.5441968517537 2.4758 0.9949 3176506 PK04_100162 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I03 compound treatment 1.437 1.96 1.43 0.7 1.23 1.17 0.529 0.997434169278997 0.985191740308601 2.0748 0.9884 3176274 PK04_100163 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I04 compound treatment 0.293 0.815 0.72 1.085 1.62 1.48 0.444 0.912434169278997 0.901235023659557 1.7917 0.9542 3176679 PK04_100164 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I05 mock treatment -1.513 -0.991 -0.88 -0.552 -0.019 -0.02 -0.731 -0.262565830721003 -0.259343118253694 -0.6658 -0.7288 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I06 mock treatment -1.222 -0.7 -0.62 -0.564 -0.031 -0.03 -0.804 -0.335565830721003 -0.33144712196405 -0.5655 -0.8051 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I07 compound treatment 0.95 1.47 1.3 0.589 1.12 1.07 0.568 1.036434169279 1.02371305735934 1.9598 0.9943 3052930 PK04_100165 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I08 compound treatment 0.955 1.48 1.31 0.889 1.42 1.35 0.761 1.229434169279 1.21434419045658 2.2374 0.999 3176444 PK04_100166 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I09 compound treatment -0.218 0.304 0.27 -0.096 0.437 0.42 -0.034 0.434434169278997 0.429101958268464 0.6435 0.9814 3052697 PK04_100167 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I10 compound treatment 0.822 1.34 1.19 0.429 0.962 0.92 0.442 0.910434169278997 0.899259571503109 1.7346 0.9914 3176731 PK04_100168 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I11 compound treatment 1.556 2.08 1.45 0.698 1.23 1.17 0.825 1.293434169279 1.27755865946292 2.2538 0.9961 3052535 PK04_100169 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I12 compound treatment -0.54 -0.0176 -0.02 -0.319 0.214 0.2 -0.24 0.228434169278997 0.225630386154311 0.239 0.785 3176198 PK04_100170 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I13 compound treatment -1.122 -0.6 -0.53 -0.179 0.354 0.34 0.203 0.671434169278997 0.663193038807563 0.2716 0.2973 3176119 PK04_100171 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I14 compound treatment -0.176 0.346 0.31 0.183 0.716 0.68 0.609 1.077434169279 1.06420982656652 1.1851 0.9112 3176442 PK04_100172 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I15 compound treatment 0.351 0.873 0.77 0.711 1.24 1.19 0.542 1.010434169279 0.998032179325514 1.7063 0.9856 3176566 PK04_100173 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I16 compound treatment 0.042 0.564 0.5 0.78 1.31 1.25 0.242 0.710434169278997 0.7017143558583 1.4154 0.9321 3052844 PK04_100174 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I17 compound treatment 0.043 0.565 0.5 0.708 1.24 1.18 0.071 0.539434169278997 0.532813196481989 1.2788 0.9201 3176781 PK04_100175 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I18 compound treatment -0.69 -0.168 -0.15 -0.074 0.459 0.44 -0.38 0.088434169278997 0.0873487352029449 0.2174 0.4626 3052891 PK04_100176 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I19 compound treatment 0.887 1.41 1.25 0.684 1.22 1.16 0.707 1.175434169279 1.16100698223248 2.0591 0.9994 3052840 PK04_100177 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I20 compound treatment -0.203 0.319 0.28 -0.14 0.393 0.37 0.065 0.533434169278997 0.526886840012645 0.6834 0.9689 3174821 PK04_100178 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I21 mock treatment -1.038 -0.516 -0.46 -0.788 -0.255 -0.24 -0.607 -0.138565830721003 -0.136865084553913 -0.4824 -0.9029 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I22 mock treatment -1.114 -0.592 -0.52 -0.939 -0.406 -0.39 -1.0 -0.531565830721003 -0.525041433295962 -0.8284 -0.991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I23 compound treatment -0.189 0.333 0.29 -0.28 0.253 0.24 -0.157 0.311434169278997 0.307611650646907 0.487 0.9948 3176670 PK04_100179 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 I24 compound treatment -0.327 0.195 0.17 -0.53 0.00305 0.0 -0.158 0.310434169278997 0.306623924568683 0.2785 0.7912 3176728 PK04_100180 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J01 compound treatment -0.931 -0.409 -0.36 -0.611 -0.078 -0.07 -0.438 0.030434169278997 0.0300606226659504 -0.2341 -0.6326 3176783 PK04_100181 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J02 compound treatment -0.488 0.0344 0.03 -0.045 0.488 0.46 -0.054 0.414434169278997 0.409347436703983 0.5224 0.8422 3176448 PK04_100182 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J03 compound treatment 0.77 1.29 1.14 0.485 1.02 0.97 0.162 0.630434169278997 0.622696269600377 1.5792 0.973 3176047 PK04_100183 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J04 compound treatment -0.603 -0.0806 -0.07 -0.417 0.116 0.11 -1.0 -0.531565830721003 -0.525041433295962 -0.2804 -0.5181 3176269 PK04_100184 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J05 mock treatment 1.369 1.89 1.42 -0.579 -0.046 -0.04 -0.3 0.168434169278997 0.166366821460868 0.8918 0.6226 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J06 mock treatment -1.657 -1.13 -1.0 -1.281 -0.748 -0.71 -0.889 -0.420565830721003 -0.415403838613093 -1.2303 -0.9474 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J07 compound treatment 0.328 0.85 0.75 0.691 1.22 1.17 -0.294 0.174434169278997 0.172293177930213 1.2068 0.8632 3176635 PK04_100185 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J08 compound treatment -0.828 -0.306 -0.27 -0.317 0.216 0.21 -0.333 0.135434169278997 0.133771860879475 0.0401 0.1099 3176114 PK04_100186 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J09 compound treatment 0.36 0.882 0.78 0.635 1.17 1.11 0.509 0.977434169278997 0.96543721874412 1.6503 0.99 3175966 PK04_100187 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J10 compound treatment 2.821 3.34 1.6 2.8 3.33 1.72 2.545 3.013434169279 1.72464689419227 2.9111 0.9994 3052757 PK04_100188 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J11 compound treatment -0.351 0.171 0.15 -0.592 -0.059 -0.06 -0.773 -0.304565830721003 -0.300827613539104 -0.1186 -0.3473 3174819 PK04_100189 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J12 compound treatment 1.518 2.04 1.45 0.759 1.29 1.23 1.129 1.597434169279 1.48603926742856 2.4042 0.9967 3176738 PK04_100190 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J13 compound treatment 10.158 10.7 1.84 10.863 11.4 2.0 7.433 7.901434169279 1.98589193074863 3.3622 0.9993 3176380 PK04_100191 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J14 compound treatment -0.165 0.357 0.32 0.156 0.689 0.66 0.3 0.768434169278997 0.759002468395295 0.9996 0.9502 3176199 PK04_100192 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J15 compound treatment 0.034 0.556 0.49 -0.338 0.195 0.19 -0.167 0.301434169278997 0.297734389864666 0.5632 0.932 3176623 PK04_100193 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J16 compound treatment -0.221 0.301 0.27 0.0 0.533 0.51 -0.627 -0.158565830721003 -0.156619606118394 0.3566 0.5999 3176632 PK04_100194 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J17 compound treatment -0.581 -0.0586 -0.05 0.092 0.625 0.6 -0.643 -0.174565830721003 -0.172423223369979 0.2143 0.3446 3052795 PK04_100195 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J18 compound treatment -0.797 -0.275 -0.24 -0.403 0.13 0.12 -0.136 0.332434169278997 0.328353898289612 0.121 0.2835 3052636 PK04_100196 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J19 compound treatment 0.577 1.1 0.97 0.774 1.31 1.25 -0.509 -0.040565830721003 -0.0400679288879567 1.257 0.7955 3052591 PK04_100197 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J20 compound treatment -0.917 -0.395 -0.35 -0.562 -0.029 -0.03 -0.49 -0.021565830721003 -0.0213011334016999 -0.2296 -0.655 3176629 PK04_100198 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J21 mock treatment -0.544 -0.0216 -0.02 -0.542 -0.00895 -0.01 -0.5 -0.031565830721003 -0.0311783941839403 -0.0339 -0.9042 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J22 mock treatment -0.933 -0.411 -0.36 -0.772 -0.239 -0.23 -0.746 -0.277565830721003 -0.274159009427055 -0.4993 -0.9816 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J23 compound treatment -0.29 0.232 0.21 -0.571 -0.038 -0.04 -0.678 -0.209565830721003 -0.20699363610782 -0.0217 -0.0739 3176776 PK04_100199 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 J24 compound treatment 1.517 2.04 1.45 0.767 1.3 1.24 0.884 1.352434169279 1.33583449807814 2.3218 0.998 3052544 PK04_100200 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K01 compound treatment -0.587 -0.0646 -0.06 -0.765 -0.232 -0.22 -0.61 -0.141565830721003 -0.139828262788585 -0.2413 -0.9014 3176739 PK04_100201 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K02 compound treatment -0.21 0.312 0.28 0.264 0.797 0.76 0.398 0.866434169278997 0.855799624061251 1.092 0.9278 3176042 PK04_100202 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K03 compound treatment -0.405 0.117 0.1 -0.341 0.192 0.18 -0.169 0.299434169278997 0.295758937708218 0.3363 0.9267 3052528 PK04_100203 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K04 compound treatment 1.4 1.92 1.43 1.306 1.84 1.53 1.098 1.566434169279 1.47782293053054 2.56 0.9996 3176564 PK04_100204 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K05 compound treatment 1.333 1.86 1.42 0.913 1.45 1.38 0.673 1.141434169279 1.12742429557286 2.2635 0.9953 3176329 PK04_100205 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K06 compound treatment 0.837 1.36 1.2 0.877 1.41 1.34 0.459 0.927434169278997 0.916050914832918 1.9983 0.9883 3052588 PK04_100206 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K07 mock treatment 0.122 0.644 0.57 -0.165 0.368 0.35 -0.282 0.186434169278997 0.184145890868901 0.6377 0.919 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K08 mock treatment 0.138 0.66 0.58 0.193 0.726 0.69 0.042 0.510434169278997 0.504169140213492 1.0275 0.9917 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K09 compound treatment 1.1 1.62 1.37 0.952 1.49 1.41 0.831 1.299434169279 1.28348501593226 2.3481 0.9992 3176733 PK04_100207 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K10 compound treatment 0.536 1.06 0.94 1.228 1.76 1.51 0.462 0.930434169278997 0.91901409306759 1.9443 0.9711 3052589 PK04_100208 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K11 compound treatment 0.795 1.32 1.16 0.574 1.11 1.05 0.521 0.989434169278997 0.977289931682809 1.8456 0.9974 3052651 PK04_100209 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K12 compound treatment 0.282 0.804 0.71 0.525 1.06 1.01 0.541 1.009434169279 0.99704445324729 1.5682 0.9887 3176507 PK04_100210 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K13 compound treatment 0.265 0.787 0.7 -0.253 0.28 0.27 0.303 0.771434169278997 0.761965646629967 0.9959 0.9342 3052706 PK04_100211 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K14 compound treatment -0.487 0.0354 0.03 -0.287 0.246 0.23 -0.182 0.286434169278997 0.282918498691306 0.3168 0.8591 3175959 PK04_100212 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K15 mock treatment -0.253 0.269 0.24 -0.349 0.184 0.18 -0.091 0.377434169278997 0.372801571809694 0.454 0.954 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K16 mock treatment -0.167 0.355 0.31 0.2 0.733 0.7 -0.062 0.406434169278997 0.401445628078191 0.8164 0.9442 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K17 compound treatment 0.156 0.678 0.6 0.047 0.58 0.55 0.042 0.510434169278997 0.504169140213492 0.9564 0.9975 3174817 PK04_100213 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K18 compound treatment 0.74 1.26 1.12 0.73 1.26 1.2 0.382 0.850434169278997 0.839996006809667 1.8241 0.9894 3176725 PK04_100214 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K19 compound treatment 0.983 1.51 1.33 0.049 0.582 0.55 -0.205 0.263434169278997 0.260200798892153 1.2388 0.8455 3052537 PK04_100215 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K20 compound treatment 0.889 1.41 1.25 -0.261 0.272 0.26 0.33 0.798434169278997 0.788634250742016 1.3254 0.8843 3052596 PK04_100216 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K21 compound treatment -0.367 0.155 0.14 0.159 0.692 0.66 0.045 0.513434169278997 0.507132318448164 0.7528 0.8929 3176049 PK04_100217 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K22 compound treatment 0.507 1.03 0.91 1.13 1.66 1.49 0.52 0.988434169278997 0.976302205604585 1.9502 0.9744 3052637 PK04_100218 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K23 mock treatment -0.424 0.0984 0.09 -0.385 0.148 0.14 -0.351 0.117434169278997 0.115992791471442 0.1986 0.982 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 K24 mock treatment -0.725 -0.203 -0.18 -0.371 0.162 0.15 -0.617 -0.148565830721003 -0.146742345336153 -0.099 -0.3557 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L01 compound treatment 0.636 1.16 1.02 0.854 1.39 1.32 0.293 0.761434169278997 0.752088385847727 1.7884 0.9756 3052595 PK04_100219 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L02 compound treatment -0.676 -0.154 -0.14 -0.286 0.247 0.24 -0.779 -0.310565830721003 -0.306753970008449 -0.1196 -0.2919 3176046 PK04_100220 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L03 compound treatment -1.561 -1.04 -0.92 -1.286 -0.753 -0.72 -1.562 -1.093565830721 -1.08014348925788 -1.5679 -0.9868 3052585 PK04_100221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L04 compound treatment -1.0 -0.478 -0.42 -0.419 0.114 0.11 -0.508 -0.039565830721003 -0.0390802028097327 -0.2036 -0.4651 3176734 PK04_100222 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L05 compound treatment -0.978 -0.456 -0.4 -0.969 -0.436 -0.42 -0.969 -0.500565830721003 -0.494421924871017 -0.7578 -0.9957 3176688 PK04_100223 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L06 compound treatment -0.362 0.16 0.14 -0.887 -0.354 -0.34 -0.73 -0.261565830721003 -0.25835539217547 -0.2619 -0.5849 3176372 PK04_100224 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L07 mock treatment -0.474 0.0484 0.04 -0.431 0.102 0.1 0.62 1.088434169279 1.07507481342699 0.7016 0.6494 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L08 mock treatment -0.843 -0.321 -0.28 -0.541 -0.00795 -0.01 -0.653 -0.184565830721003 -0.182300484152219 -0.2732 -0.8107 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L09 compound treatment -0.673 -0.151 -0.13 -1.284 -0.751 -0.72 -1.59 -1.121565830721 -1.10779981944815 -1.1295 -0.8522 3176559 PK04_100225 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L10 compound treatment 0.919 1.44 1.27 2.745 3.28 1.72 1.507 1.975434169279 1.57196687907991 2.635 0.9927 3052527 PK04_100226 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L11 compound treatment -0.258 0.264 0.23 -0.698 -0.165 -0.16 -0.641 -0.172565830721003 -0.170447771213531 -0.0542 -0.1645 3176432 PK04_100227 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L12 compound treatment 0.322 0.844 0.75 1.145 1.68 1.49 0.298 0.766434169278997 0.757027016238847 1.7312 0.9437 3176326 PK04_100228 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L13 compound treatment -0.163 0.359 0.32 0.443 0.976 0.93 2.774 3.242434169279 1.74860914111208 1.7299 0.8624 3176737 PK04_100229 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L14 compound treatment 1.027 1.55 1.35 -0.417 0.116 0.11 0.836 1.304434169279 1.28842364632338 1.5885 0.8489 3175964 PK04_100230 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L15 mock treatment -0.435 0.0874 0.08 -0.458 0.075 0.07 0.218 0.686434169278997 0.678008929980923 0.4774 0.6957 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L16 mock treatment -0.62 -0.0976 -0.09 -1.0 -0.467 -0.44 -0.748 -0.279565830721003 -0.276134461583503 -0.4661 -0.8783 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L17 compound treatment 2.195 2.72 1.54 1.707 2.24 1.6 1.612 2.080434169279 1.59201664881218 2.7289 0.9998 3176787 PK04_100231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L18 compound treatment -0.604 -0.0816 -0.07 -0.203 0.33 0.31 -0.586 -0.117565830721003 -0.116122836911208 0.0729 0.2125 3175960 PK04_100232 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L19 compound treatment 0.331 0.853 0.75 1.784 2.32 1.61 1.075 1.543434169279 1.47159039998591 2.2144 0.9596 3176273 PK04_100233 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L20 compound treatment -0.5 0.0224 0.02 -0.545 -0.012 -0.01 -0.529 -0.060565830721003 -0.0598224504524376 -0.0297 -0.463 3052882 PK04_100234 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L21 compound treatment -0.81 -0.288 -0.25 -1.027 -0.494 -0.47 -1.04 -0.571565830721003 -0.564550476424924 -0.7444 -0.9572 3176053 PK04_100235 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L22 compound treatment 0.545 1.07 0.94 2.426 2.96 1.69 0.459 0.927434169278997 0.916050914832918 2.0479 0.9573 3052696 PK04_100236 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L23 mock treatment -0.953 -0.431 -0.38 -1.091 -0.558 -0.53 -0.948 -0.479565830721003 -0.473679677228312 -0.8001 -0.9911 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 L24 mock treatment -0.842 -0.32 -0.28 -1.267 -0.734 -0.7 -0.632 -0.163565830721003 -0.161558236509514 -0.6601 -0.8559 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M01 compound treatment -1.064 -0.542 -0.48 -0.236 0.297 0.28 -0.364 0.104434169278997 0.10315235245453 -0.0535 -0.0946 3176052 PK04_100237 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M02 compound treatment -0.303 0.219 0.19 -0.031 0.502 0.48 0.129 0.597434169278997 0.590101309018984 0.7288 0.9297 3176323 PK04_100238 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M03 compound treatment -0.302 0.22 0.19 0.0 0.533 0.51 -0.094 0.374434169278997 0.369838393575022 0.6192 0.9414 3176206 PK04_100239 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M04 compound treatment -0.397 0.125 0.11 -0.25 0.283 0.27 0.027 0.495434169278997 0.489353249040131 0.5022 0.8817 3052883 PK04_100240 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M05 compound treatment -0.971 -0.449 -0.4 -0.364 0.169 0.16 -0.618 -0.149565830721003 -0.147730071414378 -0.2213 -0.4887 3052744 PK04_100241 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M06 compound treatment 0.831 1.35 1.2 0.485 1.02 0.97 0.714 1.182434169279 1.16792106478005 1.9251 0.9959 3176505 PK04_100242 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M07 compound treatment 0.811 1.33 1.18 0.719 1.25 1.19 0.744 1.212434169279 1.19755284712677 2.0607 1.0 3176434 PK04_100243 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M08 compound treatment 0.51 1.03 0.91 0.273 0.806 0.77 0.362 0.830434169278997 0.820241485245186 1.4439 0.9974 3176729 PK04_100244 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M09 mock treatment -0.96 -0.438 -0.39 -0.692 -0.159 -0.15 -0.607 -0.138565830721003 -0.136865084553913 -0.3898 -0.8912 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M10 mock treatment -0.986 -0.464 -0.41 -0.957 -0.424 -0.4 -0.929 -0.460565830721003 -0.454912881742055 -0.7324 -0.9986 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M11 compound treatment -0.081 0.441 0.39 -0.565 -0.032 -0.03 -0.235 0.233434169278997 0.230569016545431 0.3409 0.7503 3052590 PK04_100245 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M12 compound treatment 0.118 0.64 0.57 0.125 0.658 0.63 0.096 0.564434169278997 0.55750634843759 1.0107 0.9986 3176565 PK04_100246 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M13 mock treatment -0.684 -0.162 -0.14 -0.329 0.204 0.19 -0.39 0.078434169278997 0.0774714744207045 0.0745 0.294 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M14 mock treatment -0.4 0.122 0.11 -0.328 0.205 0.2 -0.246 0.222434169278997 0.219704029684967 0.3021 0.9644 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M15 compound treatment -0.544 -0.0216 -0.02 0.288 0.821 0.78 -0.521 -0.052565830721003 -0.0519206418266453 0.4106 0.5237 3176508 PK04_100247 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M16 compound treatment -0.219 0.303 0.27 0.108 0.641 0.61 -0.093 0.375434169278997 0.370826119653246 0.7216 0.9455 3052587 PK04_100248 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M17 compound treatment 2.495 3.02 1.57 5.139 5.67 1.86 2.808 3.276434169279 1.75196193956046 2.9894 0.9976 3052643 PK04_100249 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M18 compound treatment -1.203 -0.681 -0.6 -0.34 0.193 0.18 -1.0 -0.531565830721003 -0.525041433295962 -0.5443 -0.6643 3176777 PK04_100250 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M19 compound treatment -0.169 0.353 0.31 -0.185 0.348 0.33 -0.154 0.314434169278997 0.310574828881579 0.5512 0.9996 3052583 PK04_100251 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M20 compound treatment 0.213 0.735 0.65 0.036 0.569 0.54 0.413 0.881434169278997 0.870615515234612 1.191 0.9808 3052586 PK04_100252 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M21 compound treatment -0.329 0.193 0.17 -0.468 0.065 0.06 -0.468 4.34169278996976E-4 4.28840319229044E-4 0.1348 0.7409 3052593 PK04_100253 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M22 compound treatment -0.617 -0.0946 -0.08 -0.596 -0.063 -0.06 -0.417 0.051434169278997 0.0508028703086553 -0.0536 -0.4668 3176374 PK04_100254 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M23 compound treatment 0.585 1.11 0.98 -0.378 0.155 0.15 0.06 0.528434169278997 0.521948209621524 0.9519 0.8504 3052699 PK04_100255 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 M24 compound treatment -0.385 0.137 0.12 -0.369 0.164 0.16 0.089 0.557434169278997 0.550592265890022 0.4783 0.8174 3176628 PK04_100256 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N01 compound treatment -0.612 -0.0896 -0.08 -0.595 -0.062 -0.06 -0.794 -0.325565830721003 -0.321569861181809 -0.2654 -0.7891 3052530 PK04_100257 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N02 compound treatment -0.154 0.368 0.33 -0.054 0.479 0.46 -0.022 0.446434169278997 0.440954671207153 0.7061 0.9899 3176510 PK04_100258 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N03 compound treatment -0.303 0.219 0.19 -0.453 0.08 0.08 -0.324 0.144434169278997 0.142661395583491 0.2384 0.9438 3052646 PK04_100259 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N04 compound treatment 0.136 0.658 0.58 -0.014 0.519 0.49 -0.441 0.027434169278997 0.0270974444312783 0.6372 0.8338 3176040 PK04_100260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N05 compound treatment 0.262 0.784 0.69 0.448 0.981 0.93 0.146 0.614434169278997 0.606892652348792 1.2904 0.9831 3052838 PK04_100261 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N06 compound treatment -1.12 -0.598 -0.53 -0.776 -0.243 -0.23 -0.548 -0.079565830721003 -0.0785892459386945 -0.484 -0.8315 3176263 PK04_100262 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N07 compound treatment 1.061 1.58 1.36 1.038 1.57 1.47 -0.534 -0.065565830721003 -0.0647610808435579 1.5965 0.7968 3176511 PK04_100263 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N08 compound treatment 1.462 1.98 1.44 0.397 0.93 0.89 1.929 2.397434169279 1.64504074692195 2.2916 0.9719 3052644 PK04_100264 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N09 mock treatment -1.475 -0.953 -0.84 -0.797 -0.264 -0.25 -1.0 -0.531565830721003 -0.525041433295962 -0.9345 -0.9128 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N10 mock treatment -1.148 -0.626 -0.55 -0.909 -0.376 -0.36 -0.826 -0.357565830721003 -0.353177095684979 -0.73 -0.9765 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N11 compound treatment -0.967 -0.445 -0.39 -1.111 -0.578 -0.55 -1.27 -0.801565830721003 -0.791727474416454 -1.0019 -0.9621 3052880 PK04_100265 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N12 compound treatment 1.466 1.99 1.44 1.243 1.78 1.52 1.569 2.037434169279 1.58397467506821 2.6204 0.9992 3176732 PK04_100266 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N13 mock treatment -0.636 -0.114 -0.1 -0.38 0.153 0.15 -0.473 -0.00456583072100297 -0.00450979007189113 0.0236 0.1333 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N14 mock treatment -2.0 -1.48 -1.31 -1.31 -0.777 -0.74 -1.46 -0.991565830721003 -0.979395429279023 -1.747 -0.9745 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N15 compound treatment -0.697 -0.175 -0.15 -1.031 -0.498 -0.47 -1.065 -0.596565830721003 -0.589243628380525 -0.7032 -0.9108 3052703 PK04_100267 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N16 compound treatment 0.935 1.46 1.29 0.299 0.832 0.79 0.013 0.481434169278997 0.475525083944994 1.4761 0.9308 3176120 PK04_100268 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N17 compound treatment -0.436 0.0864 0.08 -0.383 0.15 0.14 -0.837 -0.368565830721003 -0.364042082545443 -0.0835 -0.2096 3052843 PK04_100269 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N18 compound treatment -0.582 -0.0596 -0.05 -0.143 0.39 0.37 -0.4 0.068434169278997 0.067594213638464 0.2232 0.5852 3176116 PK04_100270 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N19 compound treatment 0.021 0.543 0.48 -0.053 0.48 0.46 -0.304 0.164434169278997 0.162415917147972 0.6352 0.9301 3176319 PK04_100271 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N20 compound treatment -0.164 0.358 0.32 0.362 0.895 0.85 0.373 0.841434169278997 0.83110647210565 1.1551 0.9375 3052797 PK04_100272 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N21 compound treatment 0.03 0.552 0.49 -0.052 0.481 0.46 -0.377 0.091434169278997 0.0903119134376171 0.5987 0.8859 3052581 PK04_100273 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N22 compound treatment 0.14 0.662 0.59 0.197 0.73 0.7 0.23 0.698434169278997 0.689861642919612 1.138 0.9971 3176118 PK04_100274 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N23 compound treatment 0.138 0.66 0.58 -0.091 0.442 0.42 0.143 0.611434169278997 0.60392947411412 0.9289 0.9885 3176207 PK04_100275 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 N24 compound treatment 2.667 3.19 1.58 2.063 2.6 1.65 2.328 2.796434169279 1.69943236950643 2.8453 0.9996 3176266 PK04_100276 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O01 compound treatment 0.484 1.01 0.89 0.073 0.606 0.58 0.384 0.852434169278997 0.841971458966115 1.3332 0.9844 3176687 PK04_100277 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O02 compound treatment 1.213 1.74 1.39 -0.216 0.317 0.3 -0.025 0.443434169278997 0.437991492972481 1.2312 0.8259 3176323 PK04_100278 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O03 compound treatment 0.107 0.629 0.56 -0.241 0.292 0.28 -0.014 0.454434169278997 0.448856479832945 0.7411 0.966 3176438 PK04_100279 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O04 compound treatment 1.0 1.52 1.35 0.547 1.08 1.03 0.293 0.761434169278997 0.752088385847727 1.8054 0.974 3176117 PK04_100280 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O05 compound treatment 1.545 2.07 1.45 1.266 1.8 1.52 1.16 1.628434169279 1.49405202784047 2.5786 0.9998 3176384 PK04_100281 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O06 compound treatment 0.368 0.89 0.79 0.531 1.06 1.01 0.021 0.489434169278997 0.483426892570787 1.3189 0.9616 3052695 PK04_100282 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O07 compound treatment 0.595 1.12 0.99 1.014 1.55 1.46 0.075 0.543434169278997 0.536764100794885 1.7255 0.9348 3052929 PK04_100283 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O08 compound treatment 1.147 1.67 1.38 -0.019 0.514 0.49 0.383 0.851434169278997 0.840983732887891 1.5644 0.9269 3052798 PK04_100284 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O09 compound treatment -0.13 0.392 0.35 1.208 1.74 1.51 0.987 1.455434169279 1.43757028413521 1.9013 0.9 3176509 PK04_100285 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O10 compound treatment 0.797 1.32 1.17 1.509 2.04 1.57 0.634 1.102434169279 1.08890297852213 2.2063 0.9868 3176681 PK04_100286 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O11 mock treatment -0.478 0.0444 0.04 -0.409 0.124 0.12 -0.127 0.341434169278997 0.337243432993628 0.2856 0.7945 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O12 mock treatment -0.735 -0.213 -0.19 -0.817 -0.284 -0.27 -0.481 -0.012565830721003 -0.0124115986976835 -0.2718 -0.8247 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O13 compound treatment 0.593 1.12 0.99 -0.048 0.485 0.46 0.6 1.068434169279 1.05532029186251 1.4454 0.9531 3176682 PK04_100287 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O14 compound treatment -0.709 -0.187 -0.16 -0.267 0.266 0.25 -0.228 0.240434169278997 0.237483099093 0.1882 0.4895 3176320 PK04_100288 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O15 compound treatment 0.987 1.51 1.33 0.62 1.15 1.1 0.5 0.968434169278997 0.956547684040104 1.9569 0.9906 3176268 PK04_100289 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O16 compound treatment -0.607 -0.0846 -0.07 -0.648 -0.115 -0.11 -0.709 -0.240565830721003 -0.237613144532766 -0.2436 -0.8951 3176373 PK04_100290 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O17 compound treatment 1.419 1.94 1.43 0.333 0.866 0.83 -0.02 0.448434169278997 0.442930123363601 1.5581 0.9112 3052700 PK04_100291 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O18 compound treatment -0.329 0.193 0.17 -0.481 0.052 0.05 -0.208 0.260434169278997 0.257237620657481 0.2759 0.8818 3176275 PK04_100292 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O19 compound treatment 0.26 0.782 0.69 0.298 0.831 0.79 0.011 0.479434169278997 0.473549631788546 1.1299 0.9799 3052887 PK04_100293 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O20 compound treatment 0.104 0.626 0.55 -0.163 0.37 0.35 -0.102 0.366434169278997 0.361936584949229 0.7323 0.9768 3176039 PK04_100294 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O21 compound treatment -0.441 0.0814 0.07 0.052 0.585 0.56 0.247 0.715434169278997 0.706652986249421 0.7713 0.8543 3176637 PK04_100295 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O22 compound treatment 0.292 0.814 0.72 1.519 2.05 1.57 0.254 0.722434169278997 0.713567068796989 1.7329 0.9282 3176115 PK04_100296 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O23 compound treatment 0.289 0.811 0.72 0.304 0.837 0.8 0.133 0.601434169278997 0.59405221333188 1.2176 0.993 3052755 PK04_100297 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 O24 compound treatment -0.651 -0.129 -0.11 -0.6 -0.067 -0.06 -0.667 -0.198565830721003 -0.196128649247356 -0.2157 -0.9159 3176443 PK04_100298 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P01 compound treatment 2.574 3.1 1.57 1.272 1.81 1.52 0.699 1.167434169279 1.15310517360669 2.4532 0.9914 3052698 PK04_100299 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P02 compound treatment 0.0 0.522 0.46 -0.246 0.287 0.27 -0.496 -0.027565830721003 -0.0272274898710442 0.4088 0.7607 3176634 PK04_100300 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P03 compound treatment -1.166 -0.644 -0.57 -0.843 -0.31 -0.3 -0.695 -0.226565830721003 -0.223784979437629 -0.6282 -0.9252 3174820 PK04_100301 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P04 compound treatment 0.068 0.59 0.52 -0.523 0.01 0.01 -0.306 0.162434169278997 0.160440464991524 0.3995 0.7315 3052597 PK04_100302 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P05 compound treatment 0.377 0.899 0.8 -0.535 -0.00195 0.0 0.128 0.596434169278997 0.589113582940759 0.7982 0.8065 3176270 PK04_100303 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P06 compound treatment -0.563 -0.0406 -0.04 -0.638 -0.105 -0.1 0.472 0.940434169278997 0.928891353849831 0.4579 0.4897 3176677 PK04_100304 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P07 compound treatment 1.183 1.71 1.39 0.948 1.48 1.41 0.172 0.640434169278997 0.632573530382617 1.9803 0.9535 3176122 PK04_100305 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P08 compound treatment 0.823 1.35 1.19 0.44 0.973 0.93 -0.023 0.445434169278997 0.439966945128929 1.476 0.9396 3052701 PK04_100306 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P09 compound treatment -0.537 -0.0146 -0.01 -0.745 -0.212 -0.2 -1.362 -0.893565830721003 -0.882598273613066 -0.6336 -0.6997 3175972 PK04_100307 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P10 compound treatment 0.891 1.41 1.25 2.463 3.0 1.69 1.165 1.633434169279 1.49532589030118 2.5611 0.9926 3052830 PK04_100308 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P11 mock treatment -1.034 -0.512 -0.45 -0.908 -0.375 -0.36 -0.893 -0.424565830721003 -0.41935474292599 -0.7095 -0.9954 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P12 mock treatment -1.069 -0.547 -0.48 -1.383 -0.85 -0.81 -0.888 -0.419565830721003 -0.414416112534869 -0.9857 -0.957 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P13 compound treatment 0.37 0.892 0.79 -0.054 0.479 0.46 -0.093 0.375434169278997 0.370826119653246 0.9331 0.9483 3052541 PK04_100309 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P14 compound treatment 0.22 0.742 0.66 0.112 0.645 0.61 0.29 0.758434169278997 0.749125207613054 1.1663 0.9965 3052545 PK04_100310 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P15 compound treatment 2.022 2.54 1.52 2.633 3.17 1.71 5.414 5.882434169279 1.91746929848716 2.9686 0.9955 3176381 PK04_100311 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P16 compound treatment 0.66 1.18 1.05 0.658 1.19 1.13 0.523 0.991434169278997 0.979265383839257 1.824 0.9982 3052789 PK04_100312 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P17 compound treatment -0.25 0.272 0.24 -1.06 -0.527 -0.5 -0.017 0.451434169278997 0.445893301598273 0.1067 0.1495 3052890 PK04_100313 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P18 compound treatment -0.297 0.225 0.2 -0.159 0.374 0.36 0.01 0.478434169278997 0.472561905710322 0.5936 0.9506 3176779 PK04_100314 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P19 compound treatment 1.033 1.56 1.35 0.906 1.44 1.37 -0.266 0.202434169278997 0.199949508120486 1.6885 0.8717 3052876 PK04_100315 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P20 compound treatment -0.1 0.422 0.37 0.394 0.927 0.88 0.043 0.511434169278997 0.505156866291716 1.0172 0.9385 3176264 PK04_100316 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P21 compound treatment -0.124 0.398 0.35 -0.39 0.143 0.14 -0.291 0.177434169278997 0.175256356164885 0.3832 0.9204 3052692 PK04_100317 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P22 compound treatment 0.131 0.653 0.58 0.056 0.589 0.56 0.188 0.656434169278997 0.648377147634202 1.0319 0.998 3176051 PK04_100318 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P23 compound treatment 0.076 0.598 0.53 -0.014 0.519 0.49 -0.481 -0.012565830721003 -0.0124115986976835 0.5838 0.806 3052754 PK04_100319 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2100 P24 compound treatment 0.022 0.544 0.48 -0.043 0.49 0.47 0.159 0.627434169278997 0.619733091365705 0.9052 0.9914 3176127 PK04_100320 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A01 compound treatment -1.94 -1.42 -1.25 -1.457 -0.924 -0.88 -1.524 -1.055565830721 -1.04260989828536 -1.8337 -0.9898 3188092 PK04_102001 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A02 compound treatment -0.37 0.152 0.13 -0.382 0.151 0.14 -0.239 0.229434169278997 0.226618112232535 0.2917 0.9712 3188093 PK04_102002 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A03 compound treatment -1.673 -1.15 -1.02 -0.892 -0.359 -0.34 -1.151 -0.682565830721003 -0.674188071107793 -1.174 -0.9263 3069304 PK04_102003 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccccc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A04 compound treatment -0.769 -0.247 -0.22 -0.833 -0.3 -0.29 -0.548 -0.079565830721003 -0.0785892459386945 -0.3362 -0.9139 3188094 PK04_102004 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A05 compound treatment 0.148 0.67 0.59 0.848 1.38 1.32 -0.029 0.439434169278997 0.434040588659584 1.3524 0.8975 3069305 PK04_102005 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A06 compound treatment -1.565 -1.04 -0.92 -1.101 -0.568 -0.54 -1.653 -1.184565830721 -1.17002656237626 -1.5201 -0.9592 3188095 PK04_102006 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A07 compound treatment -0.605 -0.0826 -0.07 -1.018 -0.485 -0.46 -1.116 -0.647565830721003 -0.639617658369952 -0.6782 -0.8558 3069306 PK04_102007 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A08 compound treatment -0.639 -0.117 -0.1 -0.85 -0.317 -0.3 -0.413 0.055434169278997 0.0547537746215515 -0.2022 -0.6247 3188096 PK04_102008 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A09 compound treatment -0.278 0.244 0.22 -0.417 0.116 0.11 0.023 0.491434169278997 0.485402344727235 0.4688 0.8639 3188097 PK04_102009 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A10 compound treatment -0.875 -0.353 -0.31 -1.047 -0.514 -0.49 -0.818 -0.349565830721003 -0.345275287059186 -0.662 -0.9802 3069307 PK04_102010 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A11 compound treatment -0.875 -0.353 -0.31 -0.458 0.075 0.07 -0.792 -0.323565830721003 -0.319594409025361 -0.3232 -0.7149 3188098 PK04_102011 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A12 compound treatment -1.119 -0.597 -0.53 -1.243 -0.71 -0.68 -1.312 -0.843565830721003 -0.833211969701864 -1.176 -0.9835 3069308 PK04_102012 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A13 mock treatment -1.37 -0.848 -0.75 -1.103 -0.57 -0.54 -1.186 -0.717565830721003 -0.708758483845634 -1.1553 -0.9912 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A14 mock treatment -0.711 -0.189 -0.17 -0.862 -0.329 -0.31 -0.531 -0.062565830721003 -0.0617979026088857 -0.3129 -0.8683 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A15 compound treatment -1.474 -0.952 -0.84 -1.014 -0.481 -0.46 -1.037 -0.568565830721003 -0.561587298190252 -1.0745 -0.9676 3188099 PK04_102013 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A16 compound treatment -1.143 -0.621 -0.55 -1.209 -0.676 -0.64 -1.239 -0.770565830721003 -0.761107965991509 -1.128 -0.9912 3188100 PK04_102014 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A17 compound treatment -1.414 -0.892 -0.79 -1.471 -0.938 -0.89 -1.474 -1.005565830721 -0.993223594374159 -1.5444 -0.9956 3069309 PK04_102015 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@]5(O[C@H](CCO)[C@H]([C@@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A18 compound treatment -0.455 0.0674 0.06 -1.062 -0.529 -0.5 -1.854 -1.385565830721 -1.3685595040993 -1.0466 -0.7171 3188101 PK04_102016 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A19 compound treatment -1.231 -0.709 -0.63 -1.068 -0.535 -0.51 -1.348 -0.879565830721003 -0.86877010851793 -1.1575 -0.9759 3069310 PK04_102017 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A20 compound treatment -0.364 0.158 0.14 -0.597 -0.064 -0.06 -0.383 0.085434169278997 0.0843855569682728 0.0944 0.5411 3188102 PK04_102018 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@@]5(O[C@@H](CCO)[C@@H]([C@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A21 compound treatment -1.179 -0.657 -0.58 -1.311 -0.778 -0.74 -0.962 -0.493565830721003 -0.487507842323449 -1.0445 -0.9852 3188103 PK04_102019 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A22 compound treatment -1.389 -0.867 -0.77 -1.265 -0.732 -0.7 -1.468 -0.999565830721003 -0.987297237904815 -1.4149 -0.9887 3069311 PK04_102020 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A23 compound treatment -0.71 -0.188 -0.17 -0.86 -0.327 -0.31 -0.75 -0.281565830721003 -0.278109913739951 -0.4361 -0.9707 3188104 PK04_102021 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 A24 compound treatment -1.119 -0.597 -0.53 -1.101 -0.568 -0.54 -1.068 -0.599565830721003 -0.592206806615197 -0.9588 -0.9987 3188105 PK04_102022 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B01 compound treatment -0.763 -0.241 -0.21 -0.483 0.05 0.05 0.133 0.601434169278997 0.59405221333188 0.2477 0.3915 3069350 PK04_102023 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B02 compound treatment -1.568 -1.05 -0.92 -1.305 -0.772 -0.74 -1.205 -0.736565830721003 -0.727525279331891 -1.3783 -0.9935 3188106 PK04_102024 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B03 compound treatment -1.045 -0.523 -0.46 -0.69 -0.157 -0.15 -1.013 -0.544565830721003 -0.537881872312875 -0.6636 -0.9158 3069351 PK04_102025 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCCCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B04 compound treatment 0.125 0.647 0.57 0.367 0.9 0.86 0.069 0.537434169278997 0.530837744325541 1.132 0.9762 3188107 PK04_102026 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B05 compound treatment -0.67 -0.148 -0.13 -0.792 -0.259 -0.25 -0.625 -0.156565830721003 -0.154644153961946 -0.307 -0.9623 3188221 PK04_102027 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B06 compound treatment -0.418 0.104 0.09 -0.18 0.353 0.34 -0.211 0.257434169278997 0.254274442422808 0.3943 0.9135 3069352 PK04_102028 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B07 compound treatment 0.396 0.918 0.81 0.053 0.586 0.56 -0.089 0.379434169278997 0.374777023966142 1.0075 0.9557 3188222 PK04_102029 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B08 compound treatment 0.04 0.562 0.5 0.931 1.46 1.39 0.358 0.826434169278997 0.816290580932289 1.5636 0.9248 3069353 PK04_102030 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B09 compound treatment -0.708 -0.186 -0.16 -0.576 -0.043 -0.04 -0.59 -0.121565830721003 -0.120073741224104 -0.1877 -0.9049 3188223 PK04_102031 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B10 compound treatment 0.207 0.729 0.64 0.373 0.906 0.86 0.313 0.781434169278997 0.771842907412208 1.3163 0.9931 3188224 PK04_102032 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B11 compound treatment -0.333 0.189 0.17 -0.43 0.103 0.1 -0.257 0.211434169278997 0.208839042824502 0.274 0.9608 3069354 PK04_102033 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B12 compound treatment 1.9 2.42 1.5 1.208 1.74 1.51 1.5 1.968434169279 1.57057930065832 2.6449 0.9998 3188225 PK04_102034 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B13 mock treatment -0.513 0.00945 0.01 -0.32 0.213 0.2 -0.241 0.227434169278997 0.224642660076087 0.2517 0.8311 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B14 mock treatment -1.208 -0.686 -0.61 -0.904 -0.371 -0.35 -0.869 -0.400565830721003 -0.395649317048613 -0.7824 -0.9713 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B15 compound treatment -0.74 -0.218 -0.19 -0.648 -0.115 -0.11 -0.688 -0.219565830721003 -0.216870896890061 -0.2995 -0.9665 3188226 PK04_102035 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B16 compound treatment -0.541 -0.0186 -0.02 -0.358 0.175 0.17 -0.611 -0.142565830721003 -0.140815988866809 0.0055 0.0252 3069355 PK04_102036 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B17 compound treatment -0.06 0.462 0.41 -0.319 0.214 0.2 -0.706 -0.237565830721003 -0.234649966298093 0.2183 0.425 3188227 PK04_102037 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B18 compound treatment -0.571 -0.0486 -0.04 -0.4 0.133 0.13 -0.674 -0.205565830721003 -0.203042731794924 -0.0688 -0.2831 3069356 PK04_102038 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B19 compound treatment -0.322 0.2 0.18 -0.385 0.148 0.14 -0.342 0.126434169278997 0.124882326175459 0.2558 0.9892 3188228 PK04_102039 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B20 compound treatment -0.242 0.28 0.25 0.217 0.75 0.71 -0.134 0.334434169278997 0.33032935044606 0.7464 0.9044 3188229 PK04_102040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B21 compound treatment -1.227 -0.705 -0.62 -1.182 -0.649 -0.62 -1.113 -0.644565830721003 -0.636654480135279 -1.0841 -0.9999 3069357 PK04_102041 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B22 compound treatment 0.018 0.54 0.48 0.0 0.533 0.51 -0.171 0.297434169278997 0.29378348555177 0.7387 0.9763 3188230 PK04_102042 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(I)c6)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B23 compound treatment -0.227 0.295 0.26 -0.215 0.318 0.3 -0.389 0.079434169278997 0.0784592004989285 0.371 0.9102 3069358 PK04_102043 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 B24 compound treatment 1.705 2.23 1.48 1.138 1.67 1.49 1.532 2.000434169279 1.57686903529074 2.6245 0.9996 3188231 PK04_102044 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C01 compound treatment -0.724 -0.202 -0.18 -0.424 0.109 0.1 -0.639 -0.170565830721003 -0.168472319057082 -0.1402 -0.5263 3188232 PK04_102045 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C02 compound treatment -1.421 -0.899 -0.79 -1.194 -0.661 -0.63 -0.886 -0.417565830721003 -0.412440660378421 -1.0603 -0.9689 3069359 PK04_102046 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C03 compound treatment 0.397 0.919 0.81 0.26 0.793 0.76 0.324 0.792434169278997 0.782707894272672 1.3574 0.9996 3188233 PK04_102047 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C04 compound treatment -0.357 0.165 0.15 -0.529 0.00405 0.0 -0.566 -0.0975658307210029 -0.0963683153467272 0.031 0.1771 3188234 PK04_102048 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C05 compound treatment -0.115 0.407 0.36 -0.018 0.515 0.49 -0.193 0.275434169278997 0.272053511830841 0.6483 0.9724 3069360 PK04_102049 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C06 compound treatment -0.229 0.293 0.26 -0.39 0.143 0.14 -0.186 0.282434169278997 0.27896759437841 0.3895 0.9627 3188235 PK04_102050 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C07 compound treatment -0.58 -0.0576 -0.05 -0.783 -0.25 -0.24 -0.678 -0.209565830721003 -0.20699363610782 -0.2864 -0.896 3069393 PK04_102051 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C08 compound treatment -0.493 0.0294 0.03 -1.156 -0.623 -0.59 -0.48 -0.011565830721003 -0.0114238726194594 -0.3342 -0.5625 3188236 PK04_102052 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C09 compound treatment -0.894 -0.372 -0.33 -1.522 -0.989 -0.94 -1.066 -0.597565830721003 -0.590231354458749 -1.0744 -0.9268 3069394 PK04_102053 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C10 compound treatment -0.108 0.414 0.37 -0.604 -0.071 -0.07 -0.486 -0.017565830721003 -0.0173502290888037 0.1625 0.4357 3188352 PK04_102054 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C11 mock treatment -0.895 -0.373 -0.33 -0.506 0.027 0.03 -0.785 -0.316565830721003 -0.312680326477793 -0.3558 -0.7822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C12 mock treatment 0.798 1.32 1.17 -1.377 -0.844 -0.8 -1.4 -0.931565830721003 -0.92013186458558 -0.3214 -0.1902 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C13 compound treatment -1.022 -0.5 -0.44 -1.284 -0.751 -0.72 -1.079 -0.610565830721003 -0.603071793475662 -1.0162 -0.9822 3188353 PK04_102055 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C14 compound treatment 0.222 0.744 0.66 -1.602 -1.07 -1.02 -1.267 -0.798565830721003 -0.788764296181782 -0.6633 -0.4586 3069395 PK04_102056 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C15 mock treatment -1.287 -0.765 -0.68 -1.115 -0.582 -0.55 -1.0 -0.531565830721003 -0.525041433295962 -1.0135 -0.9938 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C16 mock treatment -0.848 -0.326 -0.29 -0.737 -0.204 -0.19 -0.946 -0.477565830721003 -0.471704225071864 -0.5507 -0.9402 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C17 compound treatment -0.312 0.21 0.19 -0.593 -0.06 -0.06 -0.71 -0.241565830721003 -0.23860087061099 -0.0633 -0.2056 3188354 PK04_102057 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C18 compound treatment -0.382 0.14 0.12 -0.753 -0.22 -0.21 -0.571 -0.102565830721003 -0.101306945737847 -0.1078 -0.4086 3069396 PK04_102058 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C19 compound treatment 0.5 1.02 0.9 0.393 0.926 0.88 -0.032 0.436434169278997 0.431077410424912 1.2801 0.9592 3188355 PK04_102059 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C20 compound treatment -0.5 0.0224 0.02 -0.979 -0.446 -0.42 -0.261 0.207434169278997 0.204888138511606 -0.1155 -0.2447 3188356 PK04_102060 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C21 compound treatment -0.87 -0.348 -0.31 -1.277 -0.744 -0.71 -1.0 -0.531565830721003 -0.525041433295962 -0.8897 -0.9526 3069397 PK04_102061 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C22 compound treatment -0.869 -0.347 -0.31 -1.097 -0.564 -0.54 -0.836 -0.367565830721003 -0.363054356467219 -0.6967 -0.9714 3188357 PK04_102062 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C23 compound treatment -0.478 0.0444 0.04 -0.985 -0.452 -0.43 -1.027 -0.558565830721003 -0.551710037408012 -0.5444 -0.7767 3188358 PK04_102063 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 C24 compound treatment -0.93 -0.408 -0.36 -1.179 -0.646 -0.62 -1.365 -0.896565830721003 -0.885561451847738 -1.0746 -0.9451 3069398 PK04_102064 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D01 compound treatment 1.859 2.38 1.5 0.633 1.17 1.11 1.034 1.502434169279 1.46017930036369 2.3485 0.9919 3188359 PK04_102065 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D02 compound treatment 0.434 0.956 0.85 0.071 0.604 0.58 -0.035 0.433434169278997 0.42811423219024 1.0676 0.9628 3069399 PK04_102066 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(I)cc6)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D03 compound treatment 0.2 0.722 0.64 -0.75 -0.217 -0.21 -0.612 -0.143565830721003 -0.141803714945033 0.1676 0.2442 3188360 PK04_102067 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D04 compound treatment -0.242 0.28 0.25 0.238 0.771 0.73 0.064 0.532434169278997 0.525899113934421 0.8709 0.9296 3188361 PK04_102068 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D05 compound treatment -0.548 -0.0256 -0.02 -0.974 -0.441 -0.42 -0.471 -0.00256583072100297 -0.00253433791544304 -0.257 -0.611 3069400 PK04_102069 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D06 compound treatment -0.333 0.189 0.17 0.074 0.607 0.58 -0.038 0.430434169278997 0.425151053955568 0.676 0.9172 3188362 PK04_102070 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D07 compound treatment -0.2 0.322 0.29 -0.225 0.308 0.29 -0.229 0.239434169278997 0.236495373014776 0.4706 0.9958 3188363 PK04_102071 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D08 compound treatment 0.385 0.907 0.8 0.095 0.628 0.6 0.438 0.906434169278997 0.895308667190213 1.3255 0.9871 3069401 PK04_102072 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D09 compound treatment -0.145 0.377 0.33 -0.294 0.239 0.23 -0.258 0.210434169278997 0.207851316746278 0.4441 0.9776 3188364 PK04_102073 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D10 compound treatment -0.05 0.472 0.42 -0.242 0.291 0.28 -0.1 0.368434169278997 0.363912037105677 0.6113 0.9868 3069402 PK04_102074 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D11 mock treatment -0.322 0.2 0.18 -0.521 0.012 0.01 -0.643 -0.174565830721003 -0.172423223369979 0.0094 0.0379 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D12 mock treatment -0.006 0.516 0.46 -0.099 0.434 0.41 -0.2 0.268434169278997 0.265139429283273 0.6554 0.9773 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D13 compound treatment 0.254 0.776 0.69 -0.616 -0.083 -0.08 -0.164 0.304434169278997 0.300697568099339 0.5243 0.6958 3069403 PK04_102075 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D14 compound treatment -0.603 -0.0806 -0.07 -0.459 0.074 0.07 -0.152 0.316434169278997 0.312550281038027 0.1801 0.5486 3188365 PK04_102076 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D15 mock treatment -0.327 0.195 0.17 -0.628 -0.095 -0.09 0.176 0.644434169278997 0.636524434695513 0.415 0.6234 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D16 mock treatment -0.605 -0.0826 -0.07 -0.353 0.18 0.17 -0.293 0.175434169278997 0.173280904008437 0.1569 0.6166 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D17 compound treatment -0.36 0.162 0.14 -0.419 0.114 0.11 -0.026 0.442434169278997 0.437003766894257 0.398 0.8419 3188366 PK04_102077 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D18 compound treatment -0.881 -0.359 -0.32 -0.759 -0.226 -0.22 -0.155 0.313434169278997 0.309587102803355 -0.1286 -0.261 3069404 PK04_102078 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D19 compound treatment -0.061 0.461 0.41 -0.605 -0.072 -0.07 0.278 0.746434169278997 0.737272494674366 0.6216 0.7353 3188367 PK04_102079 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D20 compound treatment -0.614 -0.0916 -0.08 -0.298 0.235 0.22 -0.341 0.127434169278997 0.125870052253683 0.1552 0.5763 3069405 PK04_102080 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D21 compound treatment 1.127 1.65 1.37 -0.158 0.375 0.36 -0.18 0.288434169278997 0.284893950847754 1.1644 0.8038 3188368 PK04_102081 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D22 compound treatment -0.704 -0.182 -0.16 -1.022 -0.489 -0.47 -0.859 -0.390565830721003 -0.385772056266372 -0.5843 -0.9338 3069440 PK04_102082 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D23 compound treatment -0.089 0.433 0.38 -0.246 0.287 0.27 -0.662 -0.193565830721003 -0.191190018856236 0.2687 0.5289 3188485 PK04_102083 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 D24 compound treatment -0.564 -0.0416 -0.04 -0.705 -0.172 -0.16 -0.579 -0.110565830721003 -0.10920875436364 -0.1788 -0.893 3069441 PK04_102084 O[C@H](CC=C)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E01 mock treatment -1.614 -1.09 -0.97 -1.149 -0.616 -0.59 -1.218 -0.749565830721003 -0.740365718348804 -1.3234 -0.98 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E02 mock treatment 0.073 0.595 0.53 1.154 1.69 1.5 0.223 0.691434169278997 0.682947560372044 1.5624 0.9045 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E03 compound treatment -1.371 -0.849 -0.75 -1.108 -0.575 -0.55 -1.074 -0.605565830721003 -0.598133163084542 -1.0947 -0.9909 3069442 PK04_102085 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E04 compound treatment -0.814 -0.292 -0.26 -0.96 -0.427 -0.41 -0.982 -0.513565830721003 -0.50726236388793 -0.6765 -0.9673 3188486 PK04_102086 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E05 compound treatment -0.61 -0.0876 -0.08 -0.4 0.133 0.13 -0.925 -0.456565830721003 -0.450961977429159 -0.2319 -0.4884 3188487 PK04_102087 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E06 compound treatment -0.502 0.0204 0.02 -1.077 -0.544 -0.52 -1.696 -1.227565830721 -1.2124987837399 -0.9888 -0.7498 3069443 PK04_102088 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E07 compound treatment -0.479 0.0434 0.04 -1.232 -0.699 -0.67 -1.093 -0.624565830721003 -0.616899958570798 -0.7184 -0.7908 3188488 PK04_102089 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E08 compound treatment -0.315 0.207 0.18 -0.902 -0.369 -0.35 -0.681 -0.212565830721003 -0.209956814342492 -0.2183 -0.4865 3188489 PK04_102090 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E09 mock treatment -1.271 -0.749 -0.66 -1.077 -0.544 -0.52 -0.807 -0.338565830721003 -0.334410300198722 -0.8743 -0.9665 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E10 mock treatment -1.196 -0.674 -0.6 -0.75 -0.217 -0.21 -0.804 -0.335565830721003 -0.33144712196405 -0.6545 -0.919 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E11 compound treatment -0.207 0.315 0.28 -0.228 0.305 0.29 -0.143 0.325434169278997 0.321439815742043 0.5144 0.9982 3069444 PK04_102091 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E12 compound treatment -0.981 -0.459 -0.41 -1.417 -0.884 -0.84 -1.348 -0.879565830721003 -0.86877010851793 -1.2218 -0.9575 3188490 PK04_102092 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E13 compound treatment -0.687 -0.165 -0.15 -0.38 0.153 0.15 -0.276 0.192434169278997 0.190072247338246 0.1099 0.3922 3069445 PK04_102093 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E14 compound treatment -0.662 -0.14 -0.12 -0.762 -0.229 -0.22 -0.581 -0.112565830721003 -0.111184206520088 -0.2614 -0.9533 3188491 PK04_102094 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E15 compound treatment -0.955 -0.433 -0.38 -0.519 0.014 0.01 -0.442 0.026434169278997 0.0261097183530542 -0.198 -0.5162 3188492 PK04_102095 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E16 compound treatment -0.984 -0.462 -0.41 -0.675 -0.142 -0.14 -0.796 -0.327565830721003 -0.323545313338257 -0.5005 -0.9302 3069446 PK04_102096 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E17 mock treatment -0.996 -0.474 -0.42 -1.448 -0.915 -0.87 -1.143 -0.674565830721003 -0.666286262482001 -1.1296 -0.962 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E18 mock treatment -0.397 0.125 0.11 -0.756 -0.223 -0.21 -1.182 -0.713565830721003 -0.704807579532738 -0.4655 -0.6253 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E19 compound treatment -0.574 -0.0516 -0.05 -0.985 -0.452 -0.43 -1.136 -0.667565830721003 -0.659372179934432 -0.6556 -0.8311 3188493 PK04_102097 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E20 compound treatment -1.0 -0.478 -0.42 -1.077 -0.544 -0.52 -1.111 -0.642565830721003 -0.634679027978831 -0.9094 -0.9866 3188494 PK04_102098 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E21 compound treatment -1.727 -1.2 -1.06 -1.896 -1.36 -1.3 -1.25 -0.781565830721003 -0.771972952851973 -1.8102 -0.9794 3069448 PK04_102099 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E22 compound treatment -1.66 -1.14 -1.01 -1.353 -0.82 -0.78 -1.522 -1.053565830721 -1.04063444612891 -1.6324 -0.9926 3188495 PK04_102100 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E23 compound treatment -0.884 -0.362 -0.32 -0.895 -0.362 -0.34 -0.732 -0.263565830721003 -0.260330844331919 -0.5339 -0.9935 3069450 PK04_102101 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 E24 compound treatment -1.018 -0.496 -0.44 -0.622 -0.089 -0.08 -1.032 -0.563565830721003 -0.556648667799132 -0.6233 -0.8736 3188496 PK04_102102 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F01 mock treatment -0.773 -0.251 -0.22 0.258 0.791 0.75 -0.823 -0.354565830721003 -0.350213917450307 0.105 0.1221 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F02 mock treatment -1.74 -1.22 -1.08 -1.265 -0.732 -0.7 -1.19 -0.721565830721003 -0.712709388158531 -1.4355 -0.9784 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F03 compound treatment -1.514 -0.992 -0.88 -0.889 -0.356 -0.34 -1.11 -0.641565830721003 -0.633691301900607 -1.0678 -0.9419 3188497 PK04_102103 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F04 compound treatment -1.181 -0.659 -0.58 -0.74 -0.207 -0.2 -0.877 -0.408565830721003 -0.403551125674405 -0.683 -0.9288 3069264 PK04_102104 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F05 compound treatment -0.75 -0.228 -0.2 -0.403 0.13 0.12 -0.421 0.047434169278997 0.0468519659957592 -0.0176 -0.073 3069265 PK04_102105 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F06 compound treatment -0.687 -0.165 -0.15 -0.383 0.15 0.14 -0.021 0.447434169278997 0.441942397285377 0.2537 0.5212 3188498 PK04_102106 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F07 compound treatment -1.119 -0.597 -0.53 -1.095 -0.562 -0.54 -1.087 -0.618565830721003 -0.610973602101454 -0.9663 -0.9977 3188499 PK04_102107 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F08 compound treatment -1.746 -1.22 -1.08 -0.556 -0.023 -0.02 -1.05 -0.581565830721003 -0.574427737207165 -0.9688 -0.7909 3069441 PK04_102108 O[C@H](CC=C)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F09 mock treatment -1.23 -0.708 -0.63 -0.881 -0.348 -0.33 -0.883 -0.414565830721003 -0.409477482143749 -0.789 -0.9647 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F10 mock treatment -0.5 0.0224 0.02 -0.5 0.033 0.03 -0.535 -0.066565830721003 -0.0657488069217819 -0.0083 -0.1102 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F11 compound treatment -0.594 -0.0716 -0.06 -0.656 -0.123 -0.12 -0.6 -0.131565830721003 -0.129951002006345 -0.1792 -0.9631 3188500 PK04_102109 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F12 compound treatment -0.444 0.0784 0.07 -0.324 0.209 0.2 -0.267 0.201434169278997 0.198961782042262 0.2699 0.9309 3069270 PK04_102110 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F13 compound treatment -0.956 -0.434 -0.38 -0.643 -0.11 -0.1 -1.225 -0.756565830721003 -0.747279800896372 -0.7132 -0.8427 3188501 PK04_102111 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F14 compound treatment -1.827 -1.3 -1.15 -1.434 -0.901 -0.86 -1.284 -0.815565830721003 -0.805555639511591 -1.6265 -0.987 3188502 PK04_102112 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F15 compound treatment -1.164 -0.642 -0.57 -0.781 -0.248 -0.24 -0.935 -0.466565830721003 -0.4608392382114 -0.7299 -0.9504 3188623 PK04_102113 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F16 compound treatment -0.92 -0.398 -0.35 -0.636 -0.103 -0.1 -0.71 -0.241565830721003 -0.23860087061099 -0.3973 -0.9113 3069312 PK04_102114 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F17 mock treatment -0.77 -0.248 -0.22 -0.4 0.133 0.13 -0.6 -0.131565830721003 -0.129951002006345 -0.1282 -0.4509 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F18 mock treatment -1.045 -0.523 -0.46 -0.589 -0.056 -0.05 -0.355 0.113434169278997 0.112041887158546 -0.2328 -0.4867 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F19 compound treatment -0.414 0.108 0.1 -0.353 0.18 0.17 -0.147 0.321434169278997 0.317488911429147 0.3377 0.9044 3188624 PK04_102115 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F20 compound treatment -1.4 -0.878 -0.78 -0.46 0.073 0.07 -0.634 -0.165565830721003 -0.163533688665962 -0.5022 -0.6309 3069314 PK04_102116 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F21 compound treatment -1.531 -1.01 -0.89 -1.444 -0.911 -0.87 -1.333 -0.864565830721003 -0.853954217344569 -1.5089 -0.9998 3069316 PK04_102117 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F22 compound treatment 0.154 0.676 0.6 0.463 0.996 0.95 0.286 0.754434169278997 0.745174303300158 1.3233 0.9827 3188625 PK04_102118 O[C@@H](CC=C)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F23 compound treatment -0.533 -0.0106 -0.01 -0.564 -0.031 -0.03 -0.603 -0.134565830721003 -0.132914180241017 -0.0991 -0.7266 3188626 PK04_102119 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 F24 compound treatment 0.019 0.541 0.48 -0.209 0.324 0.31 0.115 0.583434169278997 0.576273143923847 0.7873 0.9717 3069318 PK04_102120 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G01 compound treatment 0.202 0.724 0.64 0.2 0.733 0.7 0.421 0.889434169278997 0.878517323860404 1.2802 0.9907 3069320 PK04_102121 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO)nn2)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G02 compound treatment -1.255 -0.733 -0.65 -1.253 -0.72 -0.69 -1.012 -0.543565830721003 -0.536894146234651 -1.0799 -0.9949 3188627 PK04_102122 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G03 mock treatment -1.568 -1.05 -0.92 -1.256 -0.723 -0.69 -1.338 -0.869565830721003 -0.858892847735689 -1.4272 -0.9928 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G04 mock treatment -1.07 -0.548 -0.48 -1.277 -0.744 -0.71 -1.455 -0.986565830721003 -0.974456798887902 -1.2513 -0.9636 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G05 compound treatment 0.373 0.895 0.79 -0.017 0.516 0.49 -0.227 0.241434169278997 0.238470825171224 0.8786 0.9134 3069321 PK04_102123 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G06 compound treatment -0.226 0.296 0.26 -0.506 0.027 0.03 -0.232 0.236434169278997 0.233532194780103 0.301 0.8552 3188628 PK04_102124 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G07 compound treatment -0.359 0.163 0.14 -0.333 0.2 0.19 -0.118 0.350434169278997 0.346132967697645 0.3933 0.9348 3069362 PK04_102125 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4ccccc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G08 compound treatment -0.226 0.296 0.26 -0.901 -0.368 -0.35 -0.242 0.226434169278997 0.223654933997863 0.0781 0.1588 3188629 PK04_102126 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G09 compound treatment -0.69 -0.168 -0.15 -1.127 -0.594 -0.57 -1.0 -0.531565830721003 -0.525041433295962 -0.7153 -0.9101 3188630 PK04_102127 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G10 compound treatment -0.713 -0.191 -0.17 -1.031 -0.498 -0.47 -0.836 -0.367565830721003 -0.363054356467219 -0.5808 -0.9357 3188631 PK04_102128 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G11 compound treatment -1.109 -0.587 -0.52 -1.367 -0.834 -0.79 -1.087 -0.618565830721003 -0.610973602101454 -1.1108 -0.9844 3069365 PK04_102129 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G12 compound treatment -1.165 -0.643 -0.57 -1.457 -0.924 -0.88 -1.912 -1.443565830721 -1.42584761663629 -1.6594 -0.9379 3188632 PK04_102130 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G13 compound treatment -1.977 -1.45 -1.29 -2.077 -1.54 -1.47 -2.2 -1.731565830721 -1.71031272716482 -2.5791 -0.9933 3069368 PK04_102131 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccccc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G14 compound treatment -1.927 -1.4 -1.24 -1.602 -1.07 -1.02 -1.482 -1.013565830721 -1.00112540299995 -1.8829 -0.995 3069370 PK04_102132 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G15 compound treatment -0.836 -0.314 -0.28 -0.393 0.14 0.13 -0.299 0.169434169278997 0.167354547539093 0.0136 0.0388 3188633 PK04_102133 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G16 compound treatment -1.379 -0.857 -0.76 -1.357 -0.824 -0.78 -1.579 -1.110565830721 -1.09693483258768 -1.5237 -0.985 3188634 PK04_102134 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G17 compound treatment 0.0 0.522 0.46 -0.534 -9.52E-4 0.0 -0.672 -0.203565830721003 -0.201067279638476 0.1501 0.2979 3188635 PK04_102135 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G18 compound treatment -0.275 0.247 0.22 -0.311 0.222 0.21 -0.165 0.303434169278997 0.299709842021114 0.4215 0.9868 3069408 PK04_102136 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G19 mock treatment -0.262 0.26 0.23 -0.349 0.184 0.18 -0.119 0.349434169278997 0.34514524161942 0.4334 0.9623 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G20 mock treatment -0.42 0.102 0.09 -1.145 -0.612 -0.58 -0.216 0.252434169278997 0.249335812031688 -0.1403 -0.2191 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G21 compound treatment -0.812 -0.29 -0.26 -1.344 -0.811 -0.77 -0.956 -0.487565830721003 -0.481581485854104 -0.8719 -0.922 3188636 PK04_102137 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G22 compound treatment -0.882 -0.36 -0.32 -1.167 -0.634 -0.6 -1.282 -0.813565830721003 -0.803580187355143 -0.9962 -0.9449 3188637 PK04_102138 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G23 compound treatment -0.725 -0.203 -0.18 -1.164 -0.631 -0.6 -0.955 -0.486565830721003 -0.48059375977588 -0.7279 -0.9212 3069412 PK04_102139 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 G24 compound treatment -0.218 0.304 0.27 -1.188 -0.655 -0.62 -1.234 -0.765565830721003 -0.756169335600389 -0.6414 -0.6309 3188638 PK04_102140 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H01 compound treatment 2.222 2.74 1.54 -0.558 -0.025 -0.02 0.7 1.168434169279 1.15409289968491 1.5414 0.8011 3188639 PK04_102141 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H02 compound treatment -1.349 -0.827 -0.73 -1.798 -1.26 -1.21 -1.212 -0.743565830721003 -0.73443936187946 -1.5417 -0.9701 3069414 PK04_102142 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H03 mock treatment -1.039 -0.517 -0.46 -1.324 -0.791 -0.75 -1.092 -0.623565830721003 -0.615912232492574 -1.0543 -0.9807 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H04 mock treatment -0.761 -0.239 -0.21 -1.014 -0.481 -0.46 -0.671 -0.202565830721003 -0.200079553560252 -0.5018 -0.9248 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H05 compound treatment -0.352 0.17 0.15 -0.538 -0.00495 0.0 -0.296 0.172434169278997 0.170317725773765 0.1826 0.8028 3188755 PK04_102143 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H06 compound treatment -0.533 -0.0106 -0.01 -0.439 0.094 0.09 0.069 0.537434169278997 0.530837744325541 0.3528 0.6553 3188362 PK04_102144 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H07 compound treatment -0.228 0.294 0.26 -0.533 4.82E-5 0.0 -0.096 0.372434169278997 0.367862941418573 0.3627 0.8048 3188756 PK04_102145 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H08 compound treatment -1.057 -0.535 -0.47 1.446 1.98 1.56 -0.795 -0.326565830721003 -0.322557587260033 0.4387 0.2648 3069452 PK04_102146 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H09 compound treatment -0.07 0.452 0.4 -0.63 -0.097 -0.09 -0.239 0.229434169278997 0.226618112232535 0.3085 0.6578 3188757 PK04_102147 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H10 compound treatment -0.688 -0.166 -0.15 -0.748 -0.215 -0.2 -0.089 0.379434169278997 0.374777023966142 0.0136 0.0302 3069454 PK04_102148 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H11 compound treatment -1.276 -0.754 -0.67 -0.971 -0.438 -0.42 -0.333 0.135434169278997 0.133771860879475 -0.5483 -0.6876 3188758 PK04_102149 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H12 compound treatment -0.765 -0.243 -0.21 -0.667 -0.134 -0.13 -0.064 0.404434169278997 0.399470175921743 0.0332 0.0704 3069456 PK04_102150 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H13 compound treatment 1.418 1.94 1.43 0.574 1.11 1.05 0.333 0.801434169278997 0.791597428976688 1.8919 0.9724 3188759 PK04_102151 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H14 compound treatment -0.071 0.451 0.4 0.234 0.767 0.73 -0.179 0.289434169278997 0.285881676925978 0.8174 0.9285 3069458 PK04_102152 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H15 compound treatment -0.885 -0.363 -0.32 -1.047 -0.514 -0.49 -1.024 -0.555565830721003 -0.548746859173339 -0.7846 -0.978 3188760 PK04_102153 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H16 compound treatment -1.078 -0.556 -0.49 -0.851 -0.318 -0.3 -0.544 -0.075565830721003 -0.0746383416257983 -0.5015 -0.862 3069460 PK04_102154 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H17 compound treatment -1.059 -0.537 -0.47 0.143 0.676 0.64 -0.69 -0.221565830721003 -0.218846349046509 -0.0284 -0.0342 3188761 PK04_102155 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H18 compound treatment 0.104 0.626 0.55 -0.254 0.279 0.27 0.291 0.759434169278997 0.750112933691279 0.9063 0.9348 3069461 PK04_102156 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H19 mock treatment 0.743 1.27 1.12 -0.536 -0.00295 0.0 -0.149 0.319434169278997 0.315513459272699 0.8265 0.711 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H20 mock treatment -0.893 -0.371 -0.33 -0.431 0.102 0.1 -0.342 0.126434169278997 0.124882326175459 -0.0609 -0.1674 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H21 compound treatment -0.516 0.00645 0.01 -1.04 -0.507 -0.48 -0.594 -0.125565830721003 -0.124024645537 -0.3471 -0.6962 3188762 PK04_102157 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H22 compound treatment 0.33 0.852 0.75 -0.052 0.481 0.46 1.045 1.513434169279 1.46327957026318 1.5445 0.904 3069504 PK04_102158 O[C@H](CC=C)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H23 compound treatment -0.283 0.239 0.21 -0.803 -0.27 -0.26 -0.844 -0.375565830721003 -0.370956165093011 -0.2404 -0.4822 3188763 PK04_102159 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 H24 compound treatment -0.711 -0.189 -0.17 -0.337 0.196 0.19 -0.083 0.385434169278997 0.380703380435486 0.2314 0.5078 3069401 PK04_102160 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I01 compound treatment -0.818 -0.296 -0.26 -0.514 0.019 0.02 -0.535 -0.066565830721003 -0.0657488069217819 -0.1783 -0.6604 3069507 PK04_102161 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I02 compound treatment -0.322 0.2 0.18 -0.507 0.026 0.02 -0.342 0.126434169278997 0.124882326175459 0.1887 0.865 3188764 PK04_102162 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I03 compound treatment -1.623 -1.1 -0.97 -1.755 -1.22 -1.16 -0.902 -0.433565830721003 -0.428244277630006 -1.4811 -0.9395 3188765 PK04_102163 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I04 compound treatment -0.771 -0.249 -0.22 -0.727 -0.194 -0.18 -0.71 -0.241565830721003 -0.23860087061099 -0.3713 -0.9946 3069594 PK04_102164 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I05 mock treatment -0.686 -0.164 -0.14 -1.435 -0.902 -0.86 -1.327 -0.858565830721003 -0.848027860875225 -1.0692 -0.8793 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I06 mock treatment -0.517 0.00545 0.0 -1.214 -0.681 -0.65 -1.478 -1.009565830721 -0.997174498687055 -0.9475 -0.7964 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I07 compound treatment -1.429 -0.907 -0.8 -1.212 -0.679 -0.65 -1.043 -0.574565830721003 -0.567513654659596 -1.1638 -0.9897 3188766 PK04_102165 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I08 compound treatment 0.136 0.658 0.58 -0.397 0.136 0.13 -0.34 0.128434169278997 0.126857778331907 0.4842 0.7941 3188767 PK04_102166 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I09 compound treatment -1.508 -0.986 -0.87 -1.216 -0.683 -0.65 -0.849 -0.380565830721003 -0.375894795484132 -1.0957 -0.9523 3069598 PK04_102167 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I10 compound treatment -0.308 0.214 0.19 -0.338 0.195 0.19 -0.405 0.063434169278997 0.0626555832473438 0.2529 0.9272 3188768 PK04_102168 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I11 compound treatment -1.436 -0.914 -0.81 -1.242 -0.709 -0.68 -1.19 -0.721565830721003 -0.712709388158531 -1.2677 -0.9971 3188769 PK04_102169 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I12 compound treatment -0.654 -0.132 -0.12 -0.76 -0.227 -0.22 -0.984 -0.515565830721003 -0.509237816044378 -0.486 -0.8597 3069636 PK04_102170 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I13 compound treatment -0.464 0.0584 0.05 -0.621 -0.088 -0.08 -0.605 -0.136565830721003 -0.134889632397465 -0.0964 -0.5774 3188770 PK04_102171 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I14 compound treatment -0.319 0.203 0.18 -0.377 0.156 0.15 -0.463 0.00543416927899698 0.00536747071034927 0.1928 0.8259 3188771 PK04_102172 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I15 compound treatment -1.6 -1.08 -0.95 -1.704 -1.17 -1.12 -1.019 -0.550565830721003 -0.543808228782219 -1.508 -0.9639 3069640 PK04_102173 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I16 compound treatment -1.108 -0.586 -0.52 -0.877 -0.344 -0.33 -1.24 -0.771565830721003 -0.762095692069733 -0.9281 -0.9491 3188888 PK04_102174 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I17 compound treatment -0.23 0.292 0.26 -1.646 -1.11 -1.06 -1.623 -1.154565830721 -1.14039478002954 -1.1213 -0.7104 3069645 PK04_102175 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I18 compound treatment -2.016 -1.49 -1.32 -1.608 -1.07 -1.02 -1.636 -1.167565830721 -1.15323521904645 -2.0194 -0.9946 3188889 PK04_102176 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I19 compound treatment -0.311 0.211 0.19 -0.703 -0.17 -0.16 -0.918 -0.449565830721003 -0.444047894881591 -0.2419 -0.476 3069647 PK04_102177 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I20 compound treatment -0.937 -0.415 -0.37 -1.167 -0.634 -0.6 0.617 1.085434169279 1.07211163519232 0.0587 0.0457 3188890 PK04_102178 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I21 mock treatment -2.033 -1.51 -1.34 -1.439 -0.906 -0.86 -1.258 -0.789565830721003 -0.779874761477766 -1.7196 -0.9709 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I22 mock treatment -1.192 -0.67 -0.59 -0.81 -0.277 -0.26 -0.95 -0.481565830721003 -0.47565512938476 -0.7687 -0.9562 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I23 compound treatment -0.93 -0.408 -0.36 -0.846 -0.313 -0.3 -1.0 -0.531565830721003 -0.525041433295962 -0.6833 -0.9718 3188891 PK04_102179 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 I24 compound treatment -1.2 -0.678 -0.6 -1.229 -0.696 -0.66 -1.623 -1.154565830721 -1.14039478002954 -1.387 -0.9574 3069706 PK04_102180 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J01 compound treatment -0.414 0.108 0.1 0.164 0.697 0.66 -0.481 -0.012565830721003 -0.0124115986976835 0.4316 0.6431 3188892 PK04_102181 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J02 compound treatment -1.362 -0.84 -0.74 -1.0 -0.467 -0.44 -0.779 -0.310565830721003 -0.306753970008449 -0.8625 -0.9394 3069707 PK04_102182 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J03 compound treatment -1.0 -0.478 -0.42 -0.653 -0.12 -0.11 -0.526 -0.057565830721003 -0.0568592722177655 -0.3426 -0.7767 3188893 PK04_102183 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J04 compound treatment -1.384 -0.862 -0.76 -0.975 -0.442 -0.42 -1.056 -0.587565830721003 -0.580354093676509 -1.0179 -0.9731 3069711 PK04_102184 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J05 mock treatment -0.8 -0.278 -0.25 -0.486 0.047 0.04 -0.541 -0.072565830721003 -0.0716751633911262 -0.1572 -0.6056 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J06 mock treatment -1.061 -0.539 -0.48 -0.789 -0.256 -0.24 -0.482 -0.013565830721003 -0.0133993247759075 -0.4234 -0.7913 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J07 compound treatment -1.071 -0.549 -0.48 -1.032 -0.499 -0.48 -0.768 -0.299565830721003 -0.295888983147984 -0.7253 -0.9791 3188894 PK04_102185 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J08 compound treatment 0.344 0.866 0.77 0.652 1.19 1.13 1.176 1.644434169279 1.49811064350069 1.959 0.9668 3069714 PK04_102186 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J09 compound treatment -0.477 0.0454 0.04 -0.569 -0.036 -0.03 -0.441 0.027434169278997 0.0270974444312783 0.0191 0.3213 3188895 PK04_102187 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J10 compound treatment -1.197 -0.675 -0.6 -0.971 -0.438 -0.42 -0.902 -0.433565830721003 -0.428244277630006 -0.8324 -0.9858 3069716 PK04_102188 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J11 compound treatment -0.231 0.291 0.26 -0.464 0.069 0.07 0.231 0.699434169278997 0.690849368997836 0.5856 0.7911 3188896 PK04_102189 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J12 compound treatment 0.017 0.539 0.48 0.095 0.628 0.6 0.075 0.543434169278997 0.536764100794885 0.9307 0.9958 3069744 PK04_102190 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J13 compound treatment 0.674 1.2 1.06 -0.3 0.233 0.22 0.014 0.482434169278997 0.476512810023218 1.014 0.8584 3188897 PK04_102191 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J14 compound treatment -1.291 -0.769 -0.68 -0.937 -0.404 -0.38 -1.014 -0.545565830721003 -0.538869598391099 -0.9256 -0.9756 3069746 PK04_102192 OCCOc1ccc(cc1)[C@@H](O)CC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J15 compound treatment -1.365 -0.843 -0.74 -0.986 -0.453 -0.43 -1.224 -0.755565830721003 -0.746292074818148 -1.1101 -0.9743 3069749 PK04_102193 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J16 compound treatment -1.463 -0.941 -0.83 -1.065 -0.532 -0.51 -1.104 -0.635565830721003 -0.627764945431263 -1.1351 -0.9797 3188898 PK04_102194 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J17 compound treatment -0.119 0.403 0.36 -0.233 0.3 0.29 -0.114 0.354434169278997 0.350083872010541 0.5731 0.9954 3188899 PK04_102195 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J18 compound treatment 0.604 1.13 1.0 1.046 1.58 1.47 0.165 0.633434169278997 0.625659447835049 1.786 0.948 3069504 PK04_102196 O[C@H](CC=C)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J19 compound treatment -0.322 0.2 0.18 -0.051 0.482 0.46 -0.403 0.065434169278997 0.0646310354037919 0.4048 0.8153 3188900 PK04_102197 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J20 compound treatment -0.463 0.0594 0.05 -0.779 -0.246 -0.23 0.141 0.609434169278997 0.601954021957672 0.2426 0.3743 3069264 PK04_102198 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J21 mock treatment -1.08 -0.558 -0.49 -0.923 -0.39 -0.37 -0.833 -0.364565830721003 -0.360091178232547 -0.707 -0.9893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J22 mock treatment -1.188 -0.666 -0.59 -1.121 -0.588 -0.56 -0.79 -0.321565830721003 -0.317618956868913 -0.8465 -0.9704 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J23 compound treatment -0.855 -0.333 -0.29 -0.873 -0.34 -0.32 -0.757 -0.288565830721003 -0.28502399628752 -0.5213 -0.9985 3069786 PK04_102199 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 J24 compound treatment -0.045 0.477 0.42 -0.148 0.385 0.37 0.431 0.899434169278997 0.888394584642645 0.9684 0.9225 3188901 PK04_102200 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K01 compound treatment -0.518 0.00445 0.0 -0.46 0.073 0.07 -0.437 0.031434169278997 0.0310483487441744 0.0604 0.7912 3069787 PK04_102201 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(CCO)nn2)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K02 compound treatment -1.46 -0.938 -0.83 -1.043 -0.51 -0.49 -0.89 -0.421565830721003 -0.416391564691318 -0.9994 -0.9545 3188902 PK04_102202 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K03 compound treatment -0.255 0.267 0.24 -1.75 -1.22 -1.16 -2.028 -1.559565830721 -1.54042384171028 -1.4222 -0.7322 3188903 PK04_102203 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K04 compound treatment -1.016 -0.494 -0.44 -1.037 -0.504 -0.48 -1.429 -0.960565830721003 -0.948775920854077 -1.0769 -0.9369 3069790 PK04_102204 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K05 compound treatment -0.286 0.236 0.21 -0.185 0.348 0.33 -0.286 0.182434169278997 0.180194986556005 0.4162 0.9647 3188904 PK04_102205 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K06 compound treatment -0.171 0.351 0.31 -0.446 0.087 0.08 -0.196 0.272434169278997 0.269090333596169 0.3826 0.9125 3189012 PK04_102206 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K07 mock treatment 0.279 0.801 0.71 0.47 1.0 0.96 -0.439 0.029434169278997 0.0290728965877263 0.9776 0.8215 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K08 mock treatment -0.143 0.379 0.34 -0.828 -0.295 -0.28 -0.034 0.434434169278997 0.429101958268464 0.2792 0.4555 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K09 compound treatment -0.914 -0.392 -0.35 -1.0 -0.467 -0.44 -0.808 -0.339565830721003 -0.335398026276946 -0.6503 -0.9915 3069821 PK04_102207 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K10 compound treatment -0.691 -0.169 -0.15 -0.967 -0.434 -0.41 -0.803 -0.334565830721003 -0.330459395885826 -0.5155 -0.9376 3189013 PK04_102208 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K11 compound treatment -1.204 -0.682 -0.6 -1.542 -1.01 -0.96 -1.234 -0.765565830721003 -0.756169335600389 -1.3394 -0.9824 3069825 PK04_102209 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K12 compound treatment -0.577 -0.0546 -0.05 -1.057 -0.524 -0.5 -1.014 -0.545565830721003 -0.538869598391099 -0.6271 -0.852 3189014 PK04_102210 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K13 compound treatment -0.807 -0.285 -0.25 -0.875 -0.342 -0.33 -0.587 -0.118565830721003 -0.117110562989432 -0.4009 -0.9369 3189015 PK04_102211 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K14 compound treatment -1.011 -0.489 -0.43 -1.4 -0.867 -0.83 -0.605 -0.136565830721003 -0.134889632397465 -0.8041 -0.8538 3069831 PK04_102212 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K15 mock treatment -0.542 -0.0196 -0.02 -1.15 -0.617 -0.59 -1.405 -0.936565830721003 -0.9250704949767 -0.8834 -0.8059 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K16 mock treatment -0.778 -0.256 -0.23 -0.587 -0.054 -0.05 -0.842 -0.373565830721003 -0.368980712936563 -0.3731 -0.8564 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K17 compound treatment -0.207 0.315 0.28 -0.493 0.04 0.04 -0.536 -0.067565830721003 -0.066736533000006 0.1445 0.4995 3189016 PK04_102213 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K18 compound treatment -0.968 -0.446 -0.39 -1.191 -0.658 -0.63 -0.372 0.096434169278997 0.0952505438287373 -0.5343 -0.7159 3069867 PK04_102214 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K19 compound treatment 0.667 1.19 1.05 -0.27 0.263 0.25 -0.33 0.138434169278997 0.136735039114147 0.8308 0.7624 3189017 PK04_102215 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K20 compound treatment -0.162 0.36 0.32 -0.91 -0.377 -0.36 -0.148 0.320434169278997 0.316501185350923 0.1594 0.2772 3069873 PK04_102216 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K21 compound treatment -0.738 -0.216 -0.19 -0.986 -0.453 -0.43 -0.775 -0.306565830721003 -0.302803065695552 -0.534 -0.9526 3189018 PK04_102217 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K22 compound treatment -0.133 0.389 0.34 -0.516 0.017 0.02 -0.391 0.077434169278997 0.0764837483424805 0.2523 0.7146 3189019 PK04_102218 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K23 mock treatment -1.141 -0.619 -0.55 -1.068 -0.535 -0.51 -0.926 -0.457565830721003 -0.451949703507383 -0.8709 -0.997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 K24 mock treatment -0.862 -0.34 -0.3 -0.934 -0.401 -0.38 -0.808 -0.339565830721003 -0.335398026276946 -0.5875 -0.9952 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L01 compound treatment 1.1 1.62 1.37 0.179 0.712 0.68 0.095 0.563434169278997 0.556518622359366 1.5032 0.9246 3069879 PK04_102219 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L02 compound treatment -1.185 -0.663 -0.59 -1.009 -0.476 -0.45 -1.167 -0.698565830721003 -0.689991688359378 -0.9983 -0.9862 3189020 PK04_102220 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L03 compound treatment -0.172 0.35 0.31 -0.709 -0.176 -0.17 -0.286 0.182434169278997 0.180194986556005 0.1861 0.4704 3189021 PK04_102221 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L04 compound treatment -1.097 -0.575 -0.51 -1.007 -0.474 -0.45 -0.92 -0.451565830721003 -0.446023347038039 -0.8115 -0.9982 3069907 PK04_102222 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L05 compound treatment -0.387 0.135 0.12 -0.574 -0.041 -0.04 -0.071 0.397434169278997 0.392556093374175 0.2733 0.6628 3189022 PK04_102223 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L06 compound treatment -0.417 0.105 0.09 0.288 0.821 0.78 0.154 0.622434169278997 0.614794460974584 0.8604 0.861 3069909 PK04_102224 C[C@@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L07 mock treatment -0.854 -0.332 -0.29 -0.667 -0.134 -0.13 0.007 0.475434169278997 0.46959872747565 0.0282 0.0497 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L08 mock treatment -0.618 -0.0956 -0.08 -0.604 -0.071 -0.07 0.179 0.647434169278997 0.639487612930186 0.2814 0.4339 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L09 compound treatment -0.819 -0.297 -0.26 -0.919 -0.386 -0.37 -0.574 -0.105565830721003 -0.10427012397252 -0.4239 -0.9145 3189023 PK04_102225 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L10 compound treatment -1.262 -0.74 -0.65 -0.771 -0.238 -0.23 -1.083 -0.614565830721003 -0.607022697788558 -0.8588 -0.933 3069912 PK04_102226 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L11 compound treatment -0.061 0.461 0.41 -0.54 -0.00695 -0.01 -0.459 0.00943416927899698 0.00931837502324545 0.2371 0.5809 3189024 PK04_102227 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L12 compound treatment -0.953 -0.431 -0.38 -0.769 -0.236 -0.22 -0.718 -0.249565830721003 -0.246502679236782 -0.4919 -0.9718 3069746 PK04_102228 OCCOc1ccc(cc1)[C@@H](O)CC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L13 compound treatment 0.755 1.28 1.13 0.239 0.772 0.74 0.133 0.601434169278997 0.59405221333188 1.4197 0.9639 3069917 PK04_102229 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L14 compound treatment -0.816 -0.294 -0.26 -0.97 -0.437 -0.42 -0.817 -0.348565830721003 -0.344287560980962 -0.5889 -0.9827 3069920 PK04_102230 O[C@@H](CC=C)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L15 mock treatment -1.059 -0.537 -0.47 -0.563 -0.03 -0.03 -1.0 -0.531565830721003 -0.525041433295962 -0.5935 -0.838 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L16 mock treatment -0.404 0.118 0.1 -0.308 0.225 0.21 -0.047 0.421434169278997 0.416261519251552 0.4246 0.8849 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L17 compound treatment -0.842 -0.32 -0.28 -0.667 -0.134 -0.13 -0.892 -0.423565830721003 -0.418367016847766 -0.4783 -0.9186 3189025 PK04_102231 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L18 compound treatment -0.13 0.392 0.35 -0.784 -0.251 -0.24 -0.638 -0.169565830721003 -0.167484592978858 -0.0344 -0.0759 3069953 PK04_102232 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L19 compound treatment -0.747 -0.225 -0.2 -0.886 -0.353 -0.34 -1.108 -0.639565830721003 -0.631715849744159 -0.6735 -0.9068 3189026 PK04_102233 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L20 compound treatment -0.633 -0.111 -0.1 -1.217 -0.684 -0.65 -0.574 -0.105565830721003 -0.10427012397252 -0.4928 -0.7388 3069956 PK04_102234 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L21 compound treatment -0.11 0.412 0.36 -0.696 -0.163 -0.16 -0.383 0.085434169278997 0.0843855569682728 0.1696 0.4186 3189027 PK04_102235 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L22 compound treatment -0.386 0.136 0.12 -0.695 -0.162 -0.15 -0.216 0.252434169278997 0.249335812031688 0.1245 0.3928 3069961 PK04_102236 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L23 mock treatment -1.651 -1.13 -1.0 -1.288 -0.755 -0.72 -1.055 -0.586565830721003 -0.579366367598285 -1.3258 -0.9751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 L24 mock treatment -0.177 0.345 0.31 -0.754 -0.221 -0.21 -1.338 -0.869565830721003 -0.858892847735689 -0.4411 -0.4715 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M01 compound treatment -0.437 0.0854 0.08 -0.418 0.115 0.11 -0.476 -0.00756583072100298 -0.00747296830656326 0.1026 0.7694 3069962 PK04_102237 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M02 compound treatment -0.737 -0.215 -0.19 -0.56 -0.027 -0.03 -0.407 0.061434169278997 0.0606801310908958 -0.0893 -0.4447 3188628 PK04_102238 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M03 compound treatment -0.448 0.0744 0.07 -0.362 0.171 0.16 -0.294 0.174434169278997 0.172293177930213 0.2316 0.9409 3189028 PK04_102239 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M04 compound treatment -0.957 -0.435 -0.38 -1.045 -0.512 -0.49 -1.449 -0.980565830721003 -0.968530442418558 -1.0626 -0.9236 3189141 PK04_102240 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M05 compound treatment 0.084 0.606 0.54 -0.052 0.481 0.46 0.262 0.730434169278997 0.721468877422781 0.9907 0.9819 3069277 PK04_102241 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M06 compound treatment -1.087 -0.565 -0.5 -1.045 -0.512 -0.49 -1.0 -0.531565830721003 -0.525041433295962 -0.8729 -0.9995 3189142 PK04_102242 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M07 compound treatment -0.655 -0.133 -0.12 -0.71 -0.177 -0.17 -0.894 -0.425565830721003 -0.420342469004214 -0.4077 -0.8715 3189143 PK04_102243 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M08 compound treatment -1.177 -0.655 -0.58 -1.246 -0.713 -0.68 -1.333 -0.864565830721003 -0.853954217344569 -1.2193 -0.9872 3069284 PK04_102244 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M09 mock treatment -1.09 -0.568 -0.5 -1.098 -0.565 -0.54 -0.881 -0.412565830721003 -0.407502029987301 -0.8357 -0.9935 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M10 mock treatment -1.13 -0.608 -0.54 -0.864 -0.331 -0.32 -1.143 -0.674565830721003 -0.666286262482001 -0.8768 -0.9614 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M11 compound treatment -0.569 -0.0466 -0.04 -0.556 -0.023 -0.02 -0.545 -0.076565830721003 -0.0756260677040224 -0.08 -0.9011 3189144 PK04_102245 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M12 compound treatment -0.357 0.165 0.15 -0.768 -0.235 -0.22 -0.952 -0.483565830721003 -0.477630581541208 -0.3205 -0.5856 3189145 PK04_102246 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M13 mock treatment -0.905 -0.383 -0.34 -0.73 -0.197 -0.19 -0.39 0.078434169278997 0.0774714744207045 -0.2589 -0.6563 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M14 mock treatment -0.942 -0.42 -0.37 -0.671 -0.138 -0.13 -0.65 -0.181565830721003 -0.179337305917547 -0.3936 -0.9101 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M15 compound treatment -1.077 -0.555 -0.49 -1.016 -0.483 -0.46 -0.981 -0.512565830721003 -0.506274637809706 -0.841 -0.9992 3189146 PK04_102247 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M16 compound treatment -1.149 -0.627 -0.55 -0.857 -0.324 -0.31 -1.061 -0.592565830721003 -0.585292724067629 -0.8359 -0.9687 3189147 PK04_102248 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M17 compound treatment -1.287 -0.765 -0.68 -1.433 -0.9 -0.86 -1.389 -0.920565830721003 -0.909266877725116 -1.4102 -0.9925 3069327 PK04_102249 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M18 compound treatment -1.385 -0.863 -0.76 -1.281 -0.748 -0.71 -1.211 -0.742565830721003 -0.733451635801236 -1.2751 -0.9996 3189148 PK04_102250 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M19 compound treatment 0.088 0.61 0.54 0.356 0.889 0.85 0.614 1.082434169279 1.06914845695764 1.4179 0.9666 3069330 PK04_102251 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M20 compound treatment -0.39 0.132 0.12 -0.565 -0.032 -0.03 -0.911 -0.442565830721003 -0.437133812334022 -0.2023 -0.4461 3189149 PK04_102252 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M21 compound treatment -1.116 -0.594 -0.52 -1.2 -0.667 -0.64 -1.179 -0.710565830721003 -0.701844401298066 -1.075 -0.9931 3189150 PK04_102253 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M22 compound treatment -1.228 -0.706 -0.62 -1.132 -0.599 -0.57 -1.25 -0.781565830721003 -0.771972952851973 -1.1353 -0.9917 3189151 PK04_102254 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M23 compound treatment -0.537 -0.0146 -0.01 -0.629 -0.096 -0.09 -0.821 -0.352565830721003 -0.348238465293858 -0.2613 -0.7252 3189152 PK04_102255 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 M24 compound treatment -0.931 -0.409 -0.36 -0.836 -0.303 -0.29 -0.952 -0.483565830721003 -0.477630581541208 -0.6509 -0.9792 3069375 PK04_102256 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N01 compound treatment -0.718 -0.196 -0.17 -0.57 -0.037 -0.04 -0.471 -0.00256583072100297 -0.00253433791544304 -0.1216 -0.6892 3189153 PK04_102257 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N02 compound treatment -1.477 -0.955 -0.84 -1.316 -0.783 -0.75 -1.254 -0.785565830721003 -0.77592385716487 -1.3659 -0.9987 3069379 PK04_102258 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N03 compound treatment -1.197 -0.675 -0.6 -0.795 -0.262 -0.25 -0.916 -0.447565830721003 -0.442072442725143 -0.7436 -0.9495 3189154 PK04_102259 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N04 compound treatment -0.806 -0.284 -0.25 -0.48 0.053 0.05 -0.391 0.077434169278997 0.0764837483424805 -0.0714 -0.2675 3069716 PK04_102260 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N05 compound treatment -0.891 -0.369 -0.33 -0.451 0.082 0.08 -0.05 0.418434169278997 0.41329834101688 0.0956 0.1797 3069403 PK04_102261 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N06 compound treatment -1.686 -1.16 -1.03 -1.358 -0.825 -0.79 -1.016 -0.547565830721003 -0.540845050547547 -1.3599 -0.9693 3069417 PK04_102262 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N07 compound treatment -0.649 -0.127 -0.11 -0.652 -0.119 -0.11 -0.358 0.110434169278997 0.109078708923874 -0.067 -0.3473 3189155 PK04_102263 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N08 compound treatment -0.94 -0.418 -0.37 -1.418 -0.885 -0.84 -0.94 -0.471565830721003 -0.46577786860252 -0.9688 -0.9392 3069421 PK04_102264 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N09 mock treatment -0.692 -0.17 -0.15 -0.045 0.488 0.46 0.608 1.076434169279 1.0632221004883 0.7957 0.6801 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N10 mock treatment -0.579 -0.0566 -0.05 -0.839 -0.306 -0.29 -0.481 -0.012565830721003 -0.0124115986976835 -0.2043 -0.6903 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N11 compound treatment -0.174 0.348 0.31 -0.102 0.431 0.41 -0.24 0.228434169278997 0.225630386154311 0.5452 0.9723 3189156 PK04_102265 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N12 compound treatment 0.316 0.838 0.74 -0.181 0.352 0.34 0.35 0.818434169278997 0.808388772306497 1.0883 0.9489 3069424 PK04_102266 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N13 mock treatment -0.256 0.266 0.24 -0.457 0.076 0.07 -0.261 0.207434169278997 0.204888138511606 0.2961 0.9239 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N14 mock treatment -1.135 -0.613 -0.54 -1.058 -0.525 -0.5 -0.907 -0.438565830721003 -0.433182908021126 -0.8515 -0.9959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N15 compound treatment -0.203 0.319 0.28 0.056 0.589 0.56 -0.25 0.218434169278997 0.215753125372071 0.6116 0.9208 3189268 PK04_102267 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N16 compound treatment -1.134 -0.612 -0.54 -0.811 -0.278 -0.26 -1.016 -0.547565830721003 -0.540845050547547 -0.7773 -0.9605 3069404 PK04_102268 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N17 compound treatment -0.364 0.158 0.14 -0.268 0.265 0.25 0.025 0.493434169278997 0.487377796883683 0.508 0.8968 3069428 PK04_102269 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N18 compound treatment -1.375 -0.853 -0.75 -0.754 -0.221 -0.21 -0.709 -0.240565830721003 -0.237613144532766 -0.6939 -0.8484 3189269 PK04_102270 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N19 compound treatment -0.228 0.294 0.26 -0.507 0.026 0.02 -0.129 0.339434169278997 0.33526798083718 0.3582 0.8424 3070277 PK04_102271 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N20 compound treatment -1.039 -0.517 -0.46 -0.377 0.156 0.15 -0.663 -0.194565830721003 -0.19217774493446 -0.2888 -0.5583 3069270 PK04_102272 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N21 compound treatment -0.581 -0.0586 -0.05 -0.722 -0.189 -0.18 -0.605 -0.136565830721003 -0.134889632397465 -0.2117 -0.9171 3070278 PK04_102273 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N22 compound treatment -0.658 -0.136 -0.12 -0.859 -0.326 -0.31 -0.434 0.034434169278997 0.0340115269788466 -0.2288 -0.6839 3070279 PK04_102274 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N23 compound treatment 0.266 0.788 0.7 -0.063 0.47 0.45 -0.118 0.350434169278997 0.346132967697645 0.8608 0.9587 3070280 PK04_102275 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 N24 compound treatment -0.58 -0.0576 -0.05 -0.77 -0.237 -0.23 -0.294 0.174434169278997 0.172293177930213 -0.0602 -0.2088 3189270 PK04_102276 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O01 compound treatment -0.478 0.0444 0.04 -0.379 0.154 0.15 -0.083 0.385434169278997 0.380703380435486 0.3272 0.7983 3189271 PK04_102277 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O02 compound treatment -0.948 -0.426 -0.38 -0.711 -0.178 -0.17 -0.667 -0.198565830721003 -0.196128649247356 -0.4283 -0.9375 3070281 PK04_102278 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O03 compound treatment 0.619 1.14 1.01 0.752 1.29 1.22 0.663 1.131434169279 1.11754703479062 1.9346 0.9969 3189272 PK04_102279 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O04 compound treatment -0.969 -0.447 -0.39 -0.871 -0.338 -0.32 -1.246 -0.777565830721003 -0.768022048539077 -0.8572 -0.9301 3189273 PK04_102280 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O05 compound treatment 0.939 1.46 1.29 0.819 1.35 1.29 0.846 1.314434169279 1.29830090710562 2.2392 1.0 3070282 PK04_102281 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O06 compound treatment -0.714 -0.192 -0.17 -1.016 -0.483 -0.46 -0.359 0.109434169278997 0.10809098284565 -0.301 -0.5996 3189274 PK04_102282 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O07 compound treatment 0.518 1.04 0.92 0.886 1.42 1.35 0.096 0.564434169278997 0.55750634843759 1.6335 0.9455 3070283 PK04_102283 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O08 compound treatment -0.36 0.162 0.14 -0.66 -0.127 -0.12 -0.145 0.323434169278997 0.319464363585595 0.1975 0.5331 3189275 PK04_102284 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O09 compound treatment -0.508 0.0144 0.01 0.138 0.671 0.64 -0.143 0.325434169278997 0.321439815742043 0.562 0.7854 3189276 PK04_102285 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O10 compound treatment -0.651 -0.129 -0.11 -0.823 -0.29 -0.28 -0.803 -0.334565830721003 -0.330459395885826 -0.4159 -0.9336 3070284 PK04_102286 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O11 mock treatment -1.119 -0.597 -0.53 -0.708 -0.175 -0.17 -0.676 -0.207565830721003 -0.205018183951372 -0.5191 -0.88 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O12 mock treatment -0.86 -0.338 -0.3 -0.882 -0.349 -0.33 -0.951 -0.482565830721003 -0.476642855462984 -0.6394 -0.9788 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O13 compound treatment -0.698 -0.176 -0.16 -1.379 -0.846 -0.81 -1.164 -0.695565830721003 -0.687028510124705 -0.9516 -0.889 3189277 PK04_102287 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4ccccc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O14 compound treatment -1.274 -0.752 -0.66 -1.022 -0.489 -0.47 -1.028 -0.559565830721003 -0.552697763486236 -0.9717 -0.9897 3189278 PK04_102288 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O15 compound treatment -1.283 -0.761 -0.67 -1.291 -0.758 -0.72 -1.468 -0.999565830721003 -0.987297237904815 -1.3751 -0.9852 3070285 PK04_102289 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O16 compound treatment -1.062 -0.54 -0.48 -1.129 -0.596 -0.57 -1.559 -1.090565830721 -1.0771803110232 -1.2251 -0.9368 3189279 PK04_102290 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O17 compound treatment -0.524 -0.00155 0.0 -0.518 0.015 0.01 -0.52 -0.051565830721003 -0.0509329157484212 -0.0219 -0.4142 3070286 PK04_102291 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O18 compound treatment -0.847 -0.325 -0.29 -1.306 -0.773 -0.74 -0.432 0.036434169278997 0.0359869791352947 -0.57 -0.7205 3189280 PK04_102292 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O19 compound treatment -0.052 0.47 0.42 -0.322 0.211 0.2 -0.111 0.357434169278997 0.353047050245213 0.56 0.9632 3189281 PK04_102293 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O20 compound treatment -0.516 0.00645 0.01 -0.848 -0.315 -0.3 -0.173 0.295434169278997 0.291808033395322 -0.0015 -0.0035 3070287 PK04_102294 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O21 compound treatment -0.413 0.109 0.1 -0.81 -0.277 -0.26 -0.087 0.381434169278997 0.37675247612259 0.1211 0.2576 3189282 PK04_102295 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O22 compound treatment -0.512 0.0104 0.01 -0.873 -0.34 -0.32 -0.953 -0.484565830721003 -0.478618307619432 -0.458 -0.7924 3070288 PK04_102296 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O23 compound treatment -1.712 -1.19 -1.05 -1.338 -0.805 -0.77 -1.178 -0.709565830721003 -0.700856675219842 -1.4546 -0.984 3189283 PK04_102297 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 O24 compound treatment -0.754 -0.232 -0.2 -1.212 -0.679 -0.65 -1.205 -0.736565830721003 -0.727525279331891 -0.9117 -0.9165 3189284 PK04_102298 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P01 compound treatment -0.178 0.344 0.3 -0.574 -0.041 -0.04 -0.411 0.057434169278997 0.0567292267779996 0.186 0.5959 3070289 PK04_102299 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P02 compound treatment -0.711 -0.189 -0.17 -1.044 -0.511 -0.49 -1.041 -0.572565830721003 -0.565538202503148 -0.7038 -0.9205 3069953 PK04_102300 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P03 compound treatment -0.446 0.0764 0.07 -0.269 0.264 0.25 -0.576 -0.107565830721003 -0.106245576128968 0.1229 0.4369 3189285 PK04_102301 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P04 compound treatment -0.414 0.108 0.1 -0.125 0.408 0.39 -0.473 -0.00456583072100297 -0.00450979007189113 0.2772 0.6923 3070290 PK04_102302 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P05 compound treatment -0.673 -0.151 -0.13 -1.048 -0.515 -0.49 -0.8 -0.331565830721003 -0.327496217651154 -0.5492 -0.9082 3189394 PK04_102303 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P06 compound treatment -1.131 -0.609 -0.54 -1.143 -0.61 -0.58 -0.989 -0.520565830721003 -0.514176446435498 -0.943 -0.9987 3069907 PK04_102304 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P07 compound treatment -0.057 0.465 0.41 -0.662 -0.129 -0.12 -0.016 0.452434169278997 0.446881027676497 0.4247 0.6852 3189395 PK04_102305 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P08 compound treatment -0.209 0.313 0.28 -0.415 0.118 0.11 0.086 0.554434169278997 0.54762908765535 0.5411 0.8672 3069314 PK04_102306 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P09 compound treatment -0.012 0.51 0.45 -0.762 -0.229 -0.22 0.045 0.513434169278997 0.507132318448164 0.4274 0.5994 3070291 PK04_102307 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P10 compound treatment -0.783 -0.261 -0.23 -0.652 -0.119 -0.11 -0.699 -0.230565830721003 -0.227735883750525 -0.3299 -0.9613 3189396 PK04_102308 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P11 mock treatment -0.385 0.137 0.12 -0.8 -0.267 -0.25 -0.509 -0.040565830721003 -0.0400679288879567 -0.0998 -0.3506 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P12 mock treatment -1.048 -0.526 -0.46 -0.829 -0.296 -0.28 -1.457 -0.988565830721003 -0.976432251044351 -0.9948 -0.8902 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P13 compound treatment 1.881 2.4 1.5 1.286 1.82 1.52 0.404 0.872434169278997 0.861725980530595 2.2436 0.9731 3189397 PK04_102309 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P14 compound treatment -0.945 -0.423 -0.37 -1.174 -0.641 -0.61 -1.172 -0.703565830721003 -0.694930318750498 -0.9694 -0.9717 3070292 PK04_102310 OCCOc1ccc(cc1)[C@H](O)CC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P15 compound treatment -0.575 -0.0526 -0.05 -0.559 -0.026 -0.02 -0.687 -0.218565830721003 -0.215883170811837 -0.1657 -0.7459 3070293 PK04_102311 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P16 compound treatment -0.743 -0.221 -0.19 -0.522 0.011 0.01 -0.593 -0.124565830721003 -0.123036919458776 -0.1775 -0.7692 3070292 PK04_102312 OCCOc1ccc(cc1)[C@H](O)CC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P17 compound treatment -0.729 -0.207 -0.18 -0.731 -0.198 -0.19 -0.991 -0.522565830721003 -0.516151898591946 -0.5123 -0.8847 3189398 PK04_102313 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P18 compound treatment -0.479 0.0434 0.04 -0.565 -0.032 -0.03 -0.728 -0.259565830721003 -0.256379940019022 -0.1434 -0.5495 3070294 PK04_102314 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P19 compound treatment 0.552 1.07 0.95 0.254 0.787 0.75 -0.121 0.347434169278997 0.343169789462972 1.1795 0.9376 3189399 PK04_102315 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P20 compound treatment -0.607 -0.0846 -0.07 -0.577 -0.044 -0.04 -0.482 -0.013565830721003 -0.0133993247759075 -0.0751 -0.8656 3070290 PK04_102316 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P21 compound treatment -0.779 -0.257 -0.23 -0.795 -0.262 -0.25 -0.061 0.407434169278997 0.402433354156415 -0.0427 -0.0813 3189400 PK04_102317 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P22 compound treatment -1.011 -0.489 -0.43 -0.964 -0.431 -0.41 -0.162 0.306434169278997 0.302673020255787 -0.3117 -0.4663 3070295 PK04_102318 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P23 compound treatment -0.671 -0.149 -0.13 -0.968 -0.435 -0.41 -1.1 -0.631565830721003 -0.623814041118367 -0.6752 -0.8881 3189401 PK04_102319 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2102 P24 compound treatment -2.379 -1.86 -1.64 -0.6 -0.067 -0.06 -2.953 -2.484565830721 -2.45407046406752 -2.4013 -0.8132 3414053 PK04_102320 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A01 compound treatment -1.951 -1.43 -1.26 -1.767 -1.23 -1.18 -2.0 -1.531565830721 -1.51276751152001 -2.2813 -0.9942 3070297 PK04_103001 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A02 compound treatment -0.987 -0.465 -0.41 -0.835 -0.302 -0.29 -0.973 -0.504565830721003 -0.498372829183913 -0.6909 -0.9773 3189402 PK04_103002 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A03 compound treatment -1.264 -0.742 -0.66 -0.673 -0.14 -0.13 -1.018 -0.549565830721003 -0.542820502703995 -0.7689 -0.8925 3070298 PK04_103003 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A04 compound treatment -1.538 -1.02 -0.9 -1.242 -0.709 -0.68 -1.702 -1.233565830721 -1.21842514020924 -1.6118 -0.9725 3189403 PK04_103004 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A05 compound treatment -1.35 -0.828 -0.73 -1.316 -0.783 -0.75 -0.93 -0.461565830721003 -0.455900607820279 -1.1163 -0.9792 3070299 PK04_103005 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A06 compound treatment -1.677 -1.15 -1.02 -1.694 -1.16 -1.11 -1.579 -1.110565830721 -1.09693483258768 -1.8612 -0.9994 3189404 PK04_103006 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccc(OCCO)cc3)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A07 compound treatment -1.932 -1.41 -1.25 -1.582 -1.05 -1.0 -1.533 -1.064565830721 -1.05149943298938 -1.9035 -0.9954 3070300 PK04_103007 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A08 compound treatment -0.758 -0.236 -0.21 -0.983 -0.45 -0.43 -1.184 -0.715565830721003 -0.706783031689186 -0.7758 -0.9101 3189405 PK04_103008 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A09 compound treatment -1.864 -1.34 -1.19 -1.582 -1.05 -1.0 -1.412 -0.943565830721003 -0.931984577524268 -1.7998 -0.9947 3189406 PK04_103009 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A10 compound treatment -1.298 -0.776 -0.69 -1.281 -0.748 -0.71 -1.349 -0.880565830721003 -0.869757834596154 -1.3094 -0.9943 3070355 PK04_103010 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A11 compound treatment -1.135 -0.613 -0.54 -0.891 -0.358 -0.34 -1.172 -0.703565830721003 -0.694930318750498 -0.9108 -0.9641 3189407 PK04_103011 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A12 compound treatment -1.172 -0.65 -0.57 -1.022 -0.489 -0.47 -1.444 -0.975565830721003 -0.963591812027438 -1.1568 -0.9524 3189408 PK04_103012 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccc(CO)o2)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A13 mock treatment -2.144 -1.62 -1.43 -1.441 -0.908 -0.86 -1.488 -1.019565830721 -1.0070517594693 -1.9085 -0.9768 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A14 mock treatment -2.579 -2.06 -1.82 -2.215 -1.68 -1.6 -1.667 -1.198565830721 -1.1838547274714 -2.6583 -0.9856 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A15 compound treatment -1.623 -1.1 -0.97 -1.309 -0.776 -0.74 -1.154 -0.685565830721003 -0.677151249342465 -1.3795 -0.9875 3070356 PK04_103013 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A16 compound treatment -1.368 -0.846 -0.75 -1.642 -1.11 -1.06 -0.97 -0.501565830721003 -0.495409650949241 -1.3276 -0.958 3189409 PK04_103014 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A17 compound treatment -1.179 -0.657 -0.58 -1.453 -0.92 -0.88 -0.843 -0.374565830721003 -0.369968439014787 -1.0547 -0.9464 3070357 PK04_103015 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A18 compound treatment -1.163 -0.641 -0.57 -0.99 -0.457 -0.44 -1.583 -1.114565830721 -1.10088573690058 -1.2139 -0.925 3189410 PK04_103016 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A19 compound treatment -1.606 -1.08 -0.96 -1.456 -0.923 -0.88 -1.364 -0.895565830721003 -0.884573725769515 -1.5714 -0.9992 3070358 PK04_103017 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A20 compound treatment -0.613 -0.0906 -0.08 -1.129 -0.596 -0.57 -1.389 -0.920565830721003 -0.909266877725116 -0.899 -0.8363 3189411 PK04_103018 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A21 compound treatment -1.6 -1.08 -0.95 -1.582 -1.05 -1.0 -1.639 -1.170565830721 -1.15619839728113 -1.7945 -0.9965 3070359 PK04_103019 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A22 compound treatment -1.119 -0.597 -0.53 -1.339 -0.806 -0.77 -1.095 -0.626565830721003 -0.618875410727247 -1.1051 -0.9882 3189412 PK04_103020 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A23 compound treatment -1.277 -0.755 -0.67 -0.974 -0.441 -0.42 -1.082 -0.613565830721003 -0.606034971710334 -0.9776 -0.9831 3070360 PK04_103021 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 A24 compound treatment -1.091 -0.569 -0.5 -0.899 -0.366 -0.35 -1.079 -0.610565830721003 -0.603071793475662 -0.8397 -0.9775 3189413 PK04_103022 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B01 compound treatment -1.195 -0.673 -0.59 -1.073 -0.54 -0.51 -0.767 -0.298565830721003 -0.29490125706976 -0.8105 -0.9653 3189525 PK04_103023 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B02 compound treatment -1.611 -1.09 -0.96 -1.448 -0.915 -0.87 -1.595 -1.126565830721 -1.11273844983927 -1.7013 -0.9949 3070361 PK04_103024 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B03 compound treatment -1.487 -0.965 -0.85 -1.129 -0.596 -0.57 -1.468 -0.999565830721003 -0.987297237904815 -1.3901 -0.9771 3189526 PK04_103025 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B04 compound treatment -1.562 -1.04 -0.92 -1.329 -0.796 -0.76 -1.729 -1.260565830721 -1.24509374432129 -1.6873 -0.9791 3189527 PK04_103026 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B05 compound treatment -0.843 -0.321 -0.28 -0.662 -0.129 -0.12 -0.475 -0.00656583072100297 -0.00648524222833922 -0.2383 -0.7713 3070362 PK04_103027 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B06 compound treatment -1.204 -0.682 -0.6 -1.131 -0.598 -0.57 -1.131 -0.662565830721003 -0.654433549543312 -1.0546 -0.9984 3189528 PK04_103028 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B07 compound treatment -1.39 -0.868 -0.77 -1.478 -0.945 -0.9 -0.615 -0.146565830721003 -0.144766893179705 -1.0461 -0.878 3070363 PK04_103029 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B08 compound treatment -0.732 -0.21 -0.19 -0.637 -0.104 -0.1 -0.427 0.041434169278997 0.0409256095264149 -0.1405 -0.6565 3189529 PK04_103030 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3c5ccc(CO)cc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B09 compound treatment 0.987 1.51 1.33 -1.183 -0.65 -0.62 -1.055 -0.586565830721003 -0.579366367598285 0.0785 0.0496 3189530 PK04_103031 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B10 compound treatment -0.493 0.0294 0.03 -0.507 0.026 0.02 -0.391 0.077434169278997 0.0764837483424805 0.0735 0.8698 3070364 PK04_103032 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4ccc(CN5CCCC5)cc4)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B11 compound treatment -1.192 -0.67 -0.59 -1.203 -0.67 -0.64 -1.076 -0.607565830721003 -0.60010861524099 -1.0567 -0.9995 3189531 PK04_103033 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B12 compound treatment -0.437 0.0854 0.08 -1.044 -0.511 -0.49 -0.614 -0.145565830721003 -0.143779167101481 -0.3204 -0.6244 3189532 PK04_103034 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B13 mock treatment -1.128 -0.606 -0.54 -0.949 -0.416 -0.4 -0.967 -0.498565830721003 -0.492446472714569 -0.8222 -0.9926 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B14 mock treatment -1.75 -1.23 -1.09 -1.194 -0.661 -0.63 -1.333 -0.864565830721003 -0.853954217344569 -1.4832 -0.9772 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B15 compound treatment -1.047 -0.525 -0.46 -1.121 -0.588 -0.56 -1.2 -0.731565830721003 -0.722586648940771 -1.0083 -0.9836 3070365 PK04_103035 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B16 compound treatment -1.462 -0.94 -0.83 -1.2 -0.667 -0.64 -1.377 -0.908565830721003 -0.897414164786427 -1.3645 -0.9902 3189533 PK04_103036 CC1C=C(CCCO)C/C(=N/P(=O)(Oc2ccccc2)Oc3ccccc3)/N1Cc4cccc(OC(F)(F)F)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B17 compound treatment -0.152 0.37 0.33 -0.394 0.139 0.13 -0.625 -0.156565830721003 -0.154644153961946 0.1763 0.4571 3070366 PK04_103037 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B18 compound treatment -1.224 -0.702 -0.62 -1.333 -0.8 -0.76 -1.297 -0.828565830721003 -0.818396078528503 -1.2706 -0.9936 3189534 PK04_103038 CN1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B19 compound treatment -0.121 0.401 0.35 0.113 0.646 0.62 -0.395 0.073434169278997 0.0725328440295843 0.6021 0.8431 3189535 PK04_103039 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B20 compound treatment -1.377 -0.855 -0.76 -1.105 -0.572 -0.54 -1.18 -0.711565830721003 -0.70283212737629 -1.1566 -0.9911 3070367 PK04_103040 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B21 compound treatment -0.349 0.173 0.15 -0.197 0.336 0.32 -0.231 0.237434169278997 0.234519920858328 0.4088 0.9608 3189536 PK04_103041 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B22 compound treatment -0.827 -0.305 -0.27 -0.88 -0.347 -0.33 -0.754 -0.285565830721003 -0.282060818052848 -0.5091 -0.996 3189537 PK04_103042 CN1C(=O)C2C(C3C(N(C)C2C=C3c4ccc(CO)cc4)c5cccs5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B23 compound treatment -0.477 0.0454 0.04 -0.311 0.222 0.21 -0.574 -0.105565830721003 -0.10427012397252 0.0851 0.3558 3070368 PK04_103043 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 B24 compound treatment -1.198 -0.676 -0.6 -1.189 -0.656 -0.62 -1.391 -0.922565830721003 -0.911242329881564 -1.2317 -0.9807 3189538 PK04_103044 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C01 compound treatment -0.413 0.109 0.1 -1.132 -0.599 -0.57 -1.097 -0.628565830721003 -0.620850862883695 -0.632 -0.7446 3070369 PK04_103045 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C02 compound treatment -0.86 -0.338 -0.3 -1.167 -0.634 -0.6 -1.2 -0.731565830721003 -0.722586648940771 -0.9382 -0.9497 3189539 PK04_103046 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C03 compound treatment -1.411 -0.889 -0.79 -1.271 -0.738 -0.7 -1.864 -1.395565830721 -1.37843676488154 -1.6553 -0.9539 3189540 PK04_103047 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C04 compound treatment -1.123 -0.601 -0.53 -1.212 -0.679 -0.65 -1.407 -0.938565830721003 -0.927045947133148 -1.2152 -0.973 3070370 PK04_103048 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C05 compound treatment -0.823 -0.301 -0.27 -0.872 -0.339 -0.32 -0.952 -0.483565830721003 -0.477630581541208 -0.6156 -0.9697 3189541 PK04_103049 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C06 compound treatment -1.263 -0.741 -0.65 -1.532 -0.999 -0.95 -0.226 0.242434169278997 0.239458551249448 -0.7892 -0.669 3189542 PK04_103050 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C07 compound treatment -0.842 -0.32 -0.28 -0.966 -0.433 -0.41 -0.006 0.462434169278997 0.456758288458737 -0.1375 -0.2031 3070371 PK04_103051 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C08 compound treatment -0.342 0.18 0.16 -1.209 -0.676 -0.64 -0.33 0.138434169278997 0.136735039114147 -0.2007 -0.2963 3189543 PK04_103052 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccc(CO)o3)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C09 compound treatment -0.718 -0.196 -0.17 -1.349 -0.816 -0.78 -1.175 -0.706565830721003 -0.69789349698517 -0.9515 -0.8986 3070372 PK04_103053 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C10 compound treatment -0.575 -0.0526 -0.05 -1.051 -0.518 -0.49 -0.903 -0.434565830721003 -0.42923200370823 -0.5595 -0.8534 3189544 PK04_103054 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C11 mock treatment -2.054 -1.53 -1.35 -1.25 -0.717 -0.68 -1.081 -0.612565830721003 -0.60504724563211 -1.5254 -0.9342 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C12 mock treatment -0.821 -0.299 -0.26 -1.39 -0.857 -0.82 -1.316 -0.847565830721003 -0.83716287401476 -1.1071 -0.9235 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C13 compound treatment -1.454 -0.932 -0.82 -0.304 0.229 0.22 -1.694 -1.225565830721 -1.21052333158345 -1.0484 -0.7082 3189545 PK04_103055 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C14 compound treatment -0.725 -0.203 -0.18 -1.354 -0.821 -0.78 -1.346 -0.877565830721003 -0.866794656361482 -1.0554 -0.8935 3189546 PK04_103056 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C15 mock treatment -1.587 -1.06 -0.94 -1.429 -0.896 -0.85 -1.453 -0.984565830721003 -0.972481346731454 -1.5976 -0.9985 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C16 mock treatment -1.437 -0.915 -0.81 -1.306 -0.773 -0.74 -1.525 -1.056565830721 -1.04359762436359 -1.4945 -0.9886 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C17 compound treatment 0.246 0.768 0.68 0.406 0.939 0.89 -0.077 0.391434169278997 0.38662973690483 1.132 0.9528 3070427 PK04_103057 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C18 compound treatment -1.48 -0.958 -0.85 -1.219 -0.686 -0.65 -1.443 -0.974565830721003 -0.962604085949214 -1.4218 -0.9882 3189660 PK04_103058 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C19 compound treatment -1.015 -0.493 -0.44 -1.014 -0.481 -0.46 -0.195 0.273434169278997 0.270078059674393 -0.36 -0.5237 3070428 PK04_103059 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C20 compound treatment -0.306 0.216 0.19 -0.257 0.276 0.26 -0.28 0.188434169278997 0.186121343025349 0.3698 0.9868 3189661 PK04_103060 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C21 compound treatment -0.537 -0.0146 -0.01 -0.973 -0.44 -0.42 -1.176 -0.707565830721003 -0.698881223063394 -0.6529 -0.8011 3189662 PK04_103061 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C22 compound treatment -0.932 -0.41 -0.36 -1.294 -0.761 -0.72 -1.065 -0.596565830721003 -0.589243628380525 -0.9678 -0.9659 3070429 PK04_103062 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C23 compound treatment -0.882 -0.36 -0.32 -1.15 -0.617 -0.59 -0.867 -0.398565830721003 -0.393673864892165 -0.7501 -0.9673 3189663 PK04_103063 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 C24 compound treatment -1.233 -0.711 -0.63 -1.589 -1.06 -1.01 -0.123 0.345434169278997 0.341194337306524 -0.7465 -0.6049 3189664 PK04_103064 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3cccc(OCCO)c3)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D01 compound treatment 0.071 0.593 0.52 -0.441 0.092 0.09 -0.218 0.250434169278997 0.24736035987524 0.4964 0.8461 3070430 PK04_103065 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D02 compound treatment -0.926 -0.404 -0.36 -1.012 -0.479 -0.46 -0.743 -0.274565830721003 -0.271195831192383 -0.626 -0.9788 3189665 PK04_103066 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5ccc(CN6CCCC6)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D03 compound treatment -0.696 -0.174 -0.15 -0.962 -0.429 -0.41 -1.25 -0.781565830721003 -0.771972952851973 -0.7702 -0.8685 3070431 PK04_103067 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D04 compound treatment -0.613 -0.0906 -0.08 -0.654 -0.121 -0.12 -0.925 -0.456565830721003 -0.450961977429159 -0.3731 -0.79 3189666 PK04_103068 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D05 compound treatment -0.532 -0.00955 -0.01 0.148 0.681 0.65 -0.893 -0.424565830721003 -0.41935474292599 0.1276 0.1652 3189667 PK04_103069 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D06 compound treatment -0.587 -0.0646 -0.06 -0.581 -0.048 -0.05 -1.035 -0.566565830721003 -0.559611846033804 -0.3824 -0.6776 3189668 PK04_103070 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D07 compound treatment -0.526 -0.00355 0.0 -0.753 -0.22 -0.21 -0.972 -0.503565830721003 -0.497385103105689 -0.41 -0.7596 3070432 PK04_103071 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D08 compound treatment -0.612 -0.0896 -0.08 -0.81 -0.277 -0.26 -1.025 -0.556565830721003 -0.549734585251563 -0.5154 -0.8382 3189669 PK04_103072 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D09 compound treatment -0.384 0.138 0.12 0.176 0.709 0.68 -0.105 0.363434169278997 0.358973406714557 0.6679 0.8622 3070433 PK04_103073 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D10 compound treatment 0.723 1.25 1.1 -0.541 -0.00795 -0.01 -0.047 0.421434169278997 0.416261519251552 0.8717 0.7405 3189670 PK04_103074 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D11 mock treatment -1.036 -0.514 -0.45 -0.857 -0.324 -0.31 -1.065 -0.596565830721003 -0.589243628380525 -0.7805 -0.9692 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D12 mock treatment -2.354 -1.83 -1.62 -0.846 -0.313 -0.3 -2.024 -1.555565830721 -1.53647293739738 -1.9941 -0.8855 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D13 compound treatment 0.04 0.562 0.5 -0.243 0.29 0.28 -0.233 0.235434169278997 0.232544468701879 0.5809 0.9452 3189671 PK04_103075 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D14 compound treatment -0.786 -0.264 -0.23 -0.764 -0.231 -0.22 -0.789 -0.320565830721003 -0.316631230790689 -0.4444 -0.9864 3070434 PK04_103076 NC(=O)N1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D15 mock treatment -1.847 -1.32 -1.17 -1.684 -1.15 -1.1 -1.753 -1.284565830721 -1.26879917019867 -2.0417 -0.9982 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D16 mock treatment -1.182 -0.66 -0.58 -1.012 -0.479 -0.46 -0.746 -0.277565830721003 -0.274159009427055 -0.7584 -0.9605 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D17 compound treatment -0.479 0.0434 0.04 -0.395 0.138 0.13 -0.206 0.262434169278997 0.259213072813929 0.2478 0.845 3189672 PK04_103077 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D18 compound treatment -1.19 -0.668 -0.59 -1.338 -0.805 -0.77 -0.301 0.167434169278997 0.165379095382644 -0.688 -0.7008 3189673 PK04_103078 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D19 compound treatment 0.578 1.1 0.97 -0.369 0.164 0.16 0.482 0.950434169278997 0.938768614632071 1.1939 0.8773 3070435 PK04_103079 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D20 compound treatment -1.024 -0.502 -0.44 -0.835 -0.302 -0.29 -0.625 -0.156565830721003 -0.154644153961946 -0.5114 -0.9286 3189674 PK04_103080 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)CC2)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D21 compound treatment -0.668 -0.146 -0.13 0.042 0.575 0.55 -0.257 0.211434169278997 0.208839042824502 0.3626 0.604 3189675 PK04_103081 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D22 compound treatment -0.594 -0.0716 -0.06 -1.049 -0.516 -0.49 -0.844 -0.375565830721003 -0.370956165093011 -0.5345 -0.8634 3070436 PK04_103082 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D23 compound treatment 0.51 1.03 0.91 0.016 0.549 0.52 -0.318 0.150434169278997 0.148587752052836 0.9148 0.861 3189676 PK04_103083 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 D24 compound treatment 0.258 0.78 0.69 0.646 1.18 1.12 0.37 0.838434169278997 0.828143293870978 1.525 0.9796 3070437 PK04_103084 CN1CCC(=CC1C2CC2)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E01 mock treatment -1.985 -1.46 -1.29 -0.98 -0.447 -0.43 -1.017 -0.548565830721003 -0.541832776625771 -1.3052 -0.8908 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E02 mock treatment -1.383 -0.861 -0.76 -1.14 -0.607 -0.58 -0.891 -0.422565830721003 -0.417379290769542 -1.0141 -0.9725 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E03 compound treatment -0.93 -0.408 -0.36 -0.8 -0.267 -0.25 -0.63 -0.161565830721003 -0.159582784353066 -0.447 -0.9531 3189677 PK04_103085 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E04 compound treatment -0.471 0.0514 0.05 -0.889 -0.356 -0.34 0.071 0.539434169278997 0.532813196481989 0.1381 0.2181 3070438 PK04_103086 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E05 compound treatment -1.559 -1.04 -0.92 -1.516 -0.983 -0.94 -1.067 -0.598565830721003 -0.591219080536973 -1.4111 -0.9817 3189678 PK04_103087 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E06 compound treatment -1.104 -0.582 -0.51 -0.659 -0.126 -0.12 -0.931 -0.462565830721003 -0.456888333898503 -0.6299 -0.9022 3189679 PK04_103088 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E07 compound treatment -1.23 -0.708 -0.63 -0.935 -0.402 -0.38 -1.087 -0.618565830721003 -0.610973602101454 -0.935 -0.9795 3189680 PK04_103089 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E08 compound treatment -0.889 -0.367 -0.32 -1.095 -0.562 -0.54 -0.872 -0.403565830721003 -0.398612495283285 -0.7263 -0.9789 3070490 PK04_103090 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E09 mock treatment -1.4 -0.878 -0.78 -0.488 0.045 0.04 -1.15 -0.681565830721003 -0.673200345029569 -0.8118 -0.7896 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E10 mock treatment -1.095 -0.573 -0.51 -0.98 -0.447 -0.43 -0.857 -0.388565830721003 -0.383796604109924 -0.7597 -0.9934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E11 compound treatment -1.174 -0.652 -0.58 -0.956 -0.423 -0.4 -1.047 -0.578565830721003 -0.571464558972492 -0.8951 -0.9881 3187704 PK04_103091 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E12 compound treatment -0.735 -0.213 -0.19 -0.809 -0.276 -0.26 -0.731 -0.262565830721003 -0.259343118253694 -0.41 -0.9895 3070491 PK04_103092 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E13 compound treatment -2.524 -2.0 -1.77 -1.197 -0.664 -0.63 -1.175 -0.706565830721003 -0.69789349698517 -1.7898 -0.8928 3187705 PK04_103093 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E14 compound treatment -0.905 -0.383 -0.34 -0.863 -0.33 -0.31 -0.556 -0.087565830721003 -0.0864910545644869 -0.4267 -0.9083 3187706 PK04_103094 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E15 compound treatment -1.018 -0.496 -0.44 -0.735 -0.202 -0.19 -0.66 -0.191565830721003 -0.189214566699787 -0.4733 -0.9198 3070492 PK04_103095 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E16 compound treatment -0.636 -0.114 -0.1 -1.067 -0.534 -0.51 -0.852 -0.383565830721003 -0.378857973718804 -0.5704 -0.8882 3187707 PK04_103096 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E17 mock treatment -1.432 -0.91 -0.8 -1.328 -0.795 -0.76 -0.774 -0.305565830721003 -0.301815339617328 -1.0758 -0.9394 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E18 mock treatment -1.557 -1.03 -0.91 -0.966 -0.433 -0.41 -1.37 -0.901565830721003 -0.890500082238859 -1.2803 -0.9544 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E19 compound treatment -1.727 -1.2 -1.06 -1.533 -1.0 -0.95 -1.467 -0.998565830721003 -0.986309511826591 -1.7343 -0.9989 3070493 PK04_103097 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E20 compound treatment -0.885 -0.363 -0.32 -1.047 -0.514 -0.49 -0.638 -0.169565830721003 -0.167484592978858 -0.5644 -0.9273 3187708 PK04_103098 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E21 compound treatment -1.949 -1.43 -1.26 -1.429 -0.896 -0.85 -1.789 -1.320565830721 -1.30435730901473 -1.974 -0.9845 3187709 PK04_103099 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E22 compound treatment -1.2 -0.678 -0.6 -1.271 -0.738 -0.7 -1.1 -0.631565830721003 -0.623814041118367 -1.1119 -0.9976 3070494 PK04_103100 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E23 compound treatment -0.615 -0.0926 -0.08 -0.767 -0.234 -0.22 -0.672 -0.203565830721003 -0.201067279638476 -0.292 -0.9386 3187710 PK04_103101 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 E24 compound treatment -0.574 -0.0516 -0.05 -0.534 -9.52E-4 0.0 -0.2 0.268434169278997 0.265139429283273 0.1262 0.4692 3187711 PK04_103102 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F01 mock treatment -1.126 -0.604 -0.53 -0.987 -0.454 -0.43 -0.933 -0.464565830721003 -0.458863786054951 -0.8227 -0.996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F02 mock treatment -1.614 -1.09 -0.97 -1.077 -0.544 -0.52 -1.345 -0.876565830721003 -0.865806930283258 -1.3562 -0.9713 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F03 compound treatment 0.989 1.51 1.34 1.373 1.91 1.54 0.413 0.881434169278997 0.870615515234612 2.1642 0.9757 3070495 PK04_103103 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F04 compound treatment -0.477 0.0454 0.04 -0.286 0.247 0.24 -0.265 0.203434169278997 0.20093723419871 0.2751 0.8815 3187712 PK04_103104 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F05 compound treatment -0.942 -0.42 -0.37 -1.217 -0.684 -0.65 -0.953 -0.484565830721003 -0.478618307619432 -0.8667 -0.9743 3070496 PK04_103105 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F06 compound treatment -1.045 -0.523 -0.46 -1.05 -0.517 -0.49 -0.628 -0.159565830721003 -0.157607332196618 -0.6421 -0.9259 3187713 PK04_103106 CN1C(C2CC2)C3C4C(C1C=C3c5ccc(CO)cc5)C(=O)N(C(=O)N)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F07 compound treatment -1.45 -0.928 -0.82 -1.481 -0.948 -0.9 -1.395 -0.926565830721003 -0.91519323419446 -1.5232 -0.9988 3070497 PK04_103107 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F08 compound treatment -0.954 -0.432 -0.38 -0.619 -0.086 -0.08 -0.5 -0.031565830721003 -0.0311783941839403 -0.2856 -0.7294 3187714 PK04_103108 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F09 mock treatment -0.701 -0.179 -0.16 -0.517 0.016 0.02 -0.667 -0.198565830721003 -0.196128649247356 -0.1955 -0.7753 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F10 mock treatment -1.36 -0.838 -0.74 -1.204 -0.671 -0.64 -1.077 -0.608565830721003 -0.601096341319214 -1.1436 -0.9961 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F11 compound treatment -1.109 -0.587 -0.52 -1.213 -0.68 -0.65 -1.383 -0.914565830721003 -0.903340521255771 -1.1949 -0.9742 3187715 PK04_103109 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F12 compound treatment -0.679 -0.157 -0.14 -0.602 -0.069 -0.07 -0.718 -0.249565830721003 -0.246502679236782 -0.2602 -0.8964 3070498 PK04_103110 CC1C=C(CCCO)CCN1Cc2cccc(OC(F)(F)F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F13 compound treatment -0.447 0.0754 0.07 0.167 0.7 0.67 0.067 0.535434169278997 0.528862292169093 0.7289 0.8537 3187716 PK04_103111 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F14 compound treatment -0.024 0.498 0.44 -0.074 0.459 0.44 -0.189 0.279434169278997 0.276004416143737 0.6663 0.9806 3070499 PK04_103112 CN1CCC(=CC1c2cccs2)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F15 compound treatment -1.626 -1.1 -0.98 -1.636 -1.1 -1.05 -1.746 -1.277565830721 -1.2618850876511 -1.8985 -0.9939 3187717 PK04_103113 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F16 compound treatment -0.5 0.0224 0.02 -0.594 -0.061 -0.06 -0.542 -0.073565830721003 -0.0726628894693502 -0.064 -0.6731 3187718 PK04_103114 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F17 mock treatment -1.294 -0.772 -0.68 -1.095 -0.562 -0.54 -1.156 -0.687565830721003 -0.679126701498913 -1.095 -0.9942 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F18 mock treatment -1.562 -1.04 -0.92 -1.246 -0.713 -0.68 -0.787 -0.318565830721003 -0.314655778634241 -1.1044 -0.9317 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F19 compound treatment -1.297 -0.775 -0.68 -1.0 -0.467 -0.44 -1.396 -0.927565830721003 -0.916180960272684 -1.1811 -0.9624 3070500 PK04_103115 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F20 compound treatment -0.898 -0.376 -0.33 -0.692 -0.159 -0.15 -0.839 -0.370565830721003 -0.366017534701891 -0.4904 -0.9489 3187719 PK04_103116 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)CC1)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F21 compound treatment -0.833 -0.311 -0.27 -0.712 -0.179 -0.17 -0.635 -0.166565830721003 -0.164521414744186 -0.3519 -0.9704 3070501 PK04_103117 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F22 compound treatment -0.466 0.0564 0.05 -0.926 -0.393 -0.37 -0.875 -0.406565830721003 -0.401575673517957 -0.4192 -0.7604 3187720 PK04_103118 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)CC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F23 compound treatment -0.586 -0.0636 -0.06 -0.754 -0.221 -0.21 -0.719 -0.250565830721003 -0.247490405315006 -0.2969 -0.9003 3187721 PK04_103119 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 F24 compound treatment -0.722 -0.2 -0.18 -0.766 -0.233 -0.22 -0.815 -0.346565830721003 -0.342312108824514 -0.4276 -0.9621 3070502 PK04_103120 CN1C(C2C3C(C1C=C2c4ccc(CO)cc4)C(=O)N(C(=O)N)C3=O)c5cccs5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G01 compound treatment -0.234 0.288 0.26 -0.728 -0.195 -0.19 -1.514 -1.045565830721 -1.03273263750312 -0.5562 -0.5151 3187722 PK04_103121 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G02 compound treatment -1.082 -0.56 -0.49 -1.059 -0.526 -0.5 -0.988 -0.519565830721003 -0.513188720357274 -0.8712 -0.9999 3187723 PK04_103122 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G03 mock treatment -1.653 -1.13 -1.0 -1.487 -0.954 -0.91 -1.61 -1.141565830721 -1.12755434101263 -1.7528 -0.9961 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G04 mock treatment -1.435 -0.913 -0.81 -1.284 -0.751 -0.72 -1.672 -1.203565830721 -1.18879335786252 -1.5652 -0.9752 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G05 compound treatment -0.294 0.228 0.2 -0.164 0.369 0.35 -0.392 0.076434169278997 0.0754960222642564 0.3632 0.8806 3070503 PK04_103123 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G06 compound treatment -0.612 -0.0896 -0.08 -0.662 -0.129 -0.12 -0.754 -0.285565830721003 -0.282060818052848 -0.2795 -0.8798 3187724 PK04_103124 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G07 compound treatment -0.567 -0.0446 -0.04 -0.323 0.21 0.2 -0.912 -0.443565830721003 -0.438121538412247 -0.1602 -0.3314 3070504 PK04_103125 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G08 compound treatment -0.013 0.509 0.45 -0.435 0.098 0.09 -0.115 0.353434169278997 0.349096145932317 0.5155 0.8927 3187725 PK04_103126 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G09 compound treatment -0.624 -0.102 -0.09 -0.928 -0.395 -0.38 -0.611 -0.142565830721003 -0.140815988866809 -0.3504 -0.8511 3187726 PK04_103127 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G10 compound treatment -0.471 0.0514 0.05 -0.717 -0.184 -0.18 -0.415 0.053434169278997 0.0527783224651034 -0.0444 -0.2357 3070543 PK04_103128 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G11 compound treatment -0.605 -0.0826 -0.07 -0.983 -0.45 -0.43 -0.791 -0.322565830721003 -0.318606682947137 -0.4736 -0.8785 3187727 PK04_103129 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G12 compound treatment -0.511 0.0114 0.01 -0.625 -0.092 -0.09 -0.096 0.372434169278997 0.367862941418573 0.1677 0.4432 3187844 PK04_103130 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G13 compound treatment -0.101 0.421 0.37 -0.613 -0.08 -0.08 -0.93 -0.461565830721003 -0.455900607820279 -0.0921 -0.1551 3070544 PK04_103131 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G14 compound treatment -1.083 -0.561 -0.5 -1.067 -0.534 -0.51 -0.778 -0.309565830721003 -0.305766243930225 -0.7563 -0.9782 3187845 PK04_103132 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G15 compound treatment -2.367 -1.84 -1.63 -1.915 -1.38 -1.32 -2.278 -1.809565830721 -1.78735536126629 -2.7335 -0.9924 3070545 PK04_103133 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G16 compound treatment -0.635 -0.113 -0.1 -0.915 -0.382 -0.36 -1.344 -0.875565830721003 -0.864819204205034 -0.7668 -0.8127 3187846 PK04_103134 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G17 compound treatment -1.224 -0.702 -0.62 -0.897 -0.364 -0.35 -0.833 -0.364565830721003 -0.360091178232547 -0.7662 -0.9618 3070546 PK04_103135 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G18 compound treatment 0.082 0.604 0.53 0.113 0.646 0.62 0.034 0.502434169278997 0.496267331587699 0.9504 0.9959 3187847 PK04_103136 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G19 mock treatment -0.451 0.0714 0.06 -0.29 0.243 0.23 -0.04 0.428434169278997 0.42317560179912 0.4145 0.8519 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G20 mock treatment -0.205 0.317 0.28 -0.775 -0.242 -0.23 -0.22 0.248434169278997 0.245384907718792 0.1706 0.3893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G21 compound treatment 0.469 0.991 0.88 -1.485 -0.952 -0.91 -1.11 -0.641565830721003 -0.633691301900607 -0.3834 -0.2716 3070547 PK04_103137 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G22 compound treatment 0.079 0.601 0.53 -0.094 0.439 0.42 -0.165 0.303434169278997 0.299709842021114 0.7215 0.9751 3187848 PK04_103138 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G23 compound treatment -1.494 -0.972 -0.86 -1.733 -1.2 -1.14 -1.425 -0.956565830721003 -0.944825016541181 -1.7014 -0.9927 3070548 PK04_103139 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 G24 compound treatment -0.337 0.185 0.16 -0.69 -0.157 -0.15 -0.883 -0.414565830721003 -0.409477482143749 -0.2281 -0.4897 3187849 PK04_103140 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H01 compound treatment -0.667 -0.145 -0.13 -0.927 -0.394 -0.38 -1.0 -0.531565830721003 -0.525041433295962 -0.5936 -0.9022 3070549 PK04_103141 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H02 compound treatment -1.062 -0.54 -0.48 -0.927 -0.394 -0.38 -1.125 -0.656565830721003 -0.648507193073968 -0.8665 -0.9755 3187850 PK04_103142 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H03 mock treatment -1.247 -0.725 -0.64 -1.173 -0.64 -0.61 -1.121 -0.652565830721003 -0.644556288761072 -1.094 -0.9997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H04 mock treatment -1.388 -0.866 -0.77 -1.095 -0.562 -0.54 -0.806 -0.337565830721003 -0.333422574120498 -0.9434 -0.9513 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H05 compound treatment -0.941 -0.419 -0.37 -1.113 -0.58 -0.55 -0.95 -0.481565830721003 -0.47565512938476 -0.8072 -0.9874 3187851 PK04_103143 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H06 compound treatment 0.415 0.937 0.83 -0.359 0.174 0.17 0.443 0.911434169278997 0.900247297581333 1.094 0.8859 3187852 PK04_103144 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H07 compound treatment -0.64 -0.118 -0.1 -1.318 -0.785 -0.75 -0.976 -0.507565830721003 -0.501336007418585 -0.7812 -0.862 3070550 PK04_103145 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H08 compound treatment -1.11 -0.588 -0.52 -1.088 -0.555 -0.53 -0.977 -0.508565830721003 -0.502323733496809 -0.8952 -0.9998 3187853 PK04_103146 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C(=O)N)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H09 compound treatment -0.715 -0.193 -0.17 -0.704 -0.171 -0.16 -1.136 -0.667565830721003 -0.659372179934432 -0.573 -0.8183 3070551 PK04_103147 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H10 compound treatment -0.804 -0.282 -0.25 -1.283 -0.75 -0.71 -1.049 -0.580565830721003 -0.57344001112894 -0.8873 -0.9346 3070552 PK04_103148 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H11 compound treatment 0.121 0.643 0.57 -1.383 -0.85 -0.81 -1.296 -0.827565830721003 -0.817408352450279 -0.611 -0.476 3187854 PK04_103149 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H12 compound treatment -0.474 0.0484 0.04 -0.07 0.463 0.44 -0.303 0.165434169278997 0.163403643226196 0.3738 0.7912 3070553 PK04_103150 CN1CCC(=CC1c2cccs2)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H13 compound treatment -0.261 0.261 0.23 -0.939 -0.406 -0.39 -0.885 -0.416565830721003 -0.411452934300197 -0.3274 -0.5366 3187855 PK04_103151 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H14 compound treatment -1.176 -0.654 -0.58 -1.25 -0.717 -0.68 -1.391 -0.922565830721003 -0.911242329881564 -1.254 -0.982 3187856 PK04_103152 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H15 compound treatment -1.782 -1.26 -1.11 -1.573 -1.04 -0.99 -1.8 -1.331565830721 -1.3152222958752 -1.9743 -0.9932 3070554 PK04_103153 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H16 compound treatment -0.902 -0.38 -0.34 -0.743 -0.21 -0.2 -0.554 -0.085565830721003 -0.0845156024080388 -0.358 -0.8957 3187857 PK04_103154 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H17 compound treatment -0.732 -0.21 -0.19 -1.435 -0.902 -0.86 -1.175 -0.706565830721003 -0.69789349698517 -1.006 -0.8963 3187858 PK04_103155 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H18 compound treatment 0.02 0.542 0.48 -0.403 0.13 0.12 -0.688 -0.219565830721003 -0.216870896890061 0.2232 0.4128 3070555 PK04_103156 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)CC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H19 mock treatment -1.0 -0.478 -0.42 -0.813 -0.28 -0.27 -0.857 -0.388565830721003 -0.383796604109924 -0.6193 -0.9833 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H20 mock treatment -1.012 -0.49 -0.43 -0.929 -0.396 -0.38 -0.948 -0.479565830721003 -0.473679677228312 -0.7411 -0.9958 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H21 compound treatment -0.921 -0.399 -0.35 -1.27 -0.737 -0.7 -1.329 -0.860565830721003 -0.850003313031673 -1.0995 -0.95 3187859 PK04_103157 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H22 compound treatment -0.475 0.0474 0.04 -1.431 -0.898 -0.86 -0.863 -0.394565830721003 -0.389722960579268 -0.6947 -0.7383 3070556 PK04_103158 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H23 compound treatment -0.943 -0.421 -0.37 -1.381 -0.848 -0.81 -1.242 -0.773565830721003 -0.764071144226181 -1.1222 -0.9571 3187860 PK04_103159 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 H24 compound treatment -0.698 -0.176 -0.16 -0.912 -0.379 -0.36 -0.807 -0.338565830721003 -0.334410300198722 -0.4911 -0.9518 3070597 PK04_103160 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I01 compound treatment -2.453 -1.93 -1.71 -1.013 -0.48 -0.46 -1.493 -1.024565830721 -1.01199038986042 -1.8337 -0.9005 3187861 PK04_103161 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I02 compound treatment -0.722 -0.2 -0.18 -0.55 -0.017 -0.02 -0.26 0.208434169278997 0.20587586458983 0.0077 0.0283 3187862 PK04_103162 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I03 compound treatment -1.37 -0.848 -0.75 -0.794 -0.261 -0.25 -0.667 -0.198565830721003 -0.196128649247356 -0.6894 -0.8474 3070598 PK04_103163 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I04 compound treatment -0.369 0.153 0.14 -0.872 -0.339 -0.32 -0.667 -0.198565830721003 -0.196128649247356 -0.2213 -0.5514 3187863 PK04_103164 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I05 mock treatment -1.766 -1.24 -1.1 -1.633 -1.1 -1.05 -1.143 -0.674565830721003 -0.666286262482001 -1.6244 -0.9794 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I06 mock treatment -2.033 -1.51 -1.34 -1.112 -0.579 -0.55 -1.585 -1.116565830721 -1.10286118905703 -1.7262 -0.9497 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I07 compound treatment -2.192 -1.67 -1.48 -1.603 -1.07 -1.02 -1.667 -1.198565830721 -1.1838547274714 -2.1242 -0.9883 3070599 PK04_103165 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I08 compound treatment -0.681 -0.159 -0.14 -0.68 -0.147 -0.14 -0.667 -0.198565830721003 -0.196128649247356 -0.275 -0.9864 3187864 PK04_103166 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I09 compound treatment -2.49 -1.97 -1.74 -2.036 -1.5 -1.43 -1.917 -1.448565830721 -1.43078624702741 -2.657 -0.9955 3187865 PK04_103167 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I10 compound treatment -0.574 -0.0516 -0.05 -0.761 -0.228 -0.22 -0.783 -0.314565830721003 -0.310704874321345 -0.3311 -0.8671 3070600 PK04_103168 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I11 compound treatment -1.085 -0.563 -0.5 -1.58 -1.05 -1.0 -1.145 -0.676565830721003 -0.668261714638449 -1.2488 -0.961 3187866 PK04_103169 COCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I12 compound treatment -0.982 -0.46 -0.41 -0.897 -0.364 -0.35 -0.75 -0.281565830721003 -0.278109913739951 -0.5953 -0.9886 3187978 PK04_103170 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I13 compound treatment -1.761 -1.24 -1.1 -0.545 -0.012 -0.01 -1.096 -0.627565830721003 -0.619863136805471 -0.9967 -0.792 3070601 PK04_103171 CCCCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I14 compound treatment -0.255 0.267 0.24 -0.256 0.277 0.26 0.043 0.511434169278997 0.505156866291716 0.5805 0.9408 3187979 PK04_103172 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I15 compound treatment -0.909 -0.387 -0.34 -0.672 -0.139 -0.13 -0.592 -0.123565830721003 -0.122049193380552 -0.3442 -0.8911 3070602 PK04_103173 CC(C)C(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I16 compound treatment -0.441 0.0814 0.07 -0.646 -0.113 -0.11 -0.625 -0.156565830721003 -0.154644153961946 -0.1098 -0.5446 3187980 PK04_103174 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I17 compound treatment -1.159 -0.637 -0.56 -1.509 -0.976 -0.93 -0.837 -0.368565830721003 -0.364042082545443 -1.0719 -0.9352 3070603 PK04_103175 COCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I18 compound treatment -0.967 -0.445 -0.39 -0.602 -0.069 -0.07 -1.385 -0.916565830721003 -0.905315973412219 -0.7875 -0.7962 3187981 PK04_103176 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I19 compound treatment -2.192 -1.67 -1.48 -1.754 -1.22 -1.16 -1.976 -1.507565830721 -1.48906208564263 -2.3834 -0.9941 3070604 PK04_103177 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I20 compound treatment 0.16 0.682 0.6 -0.393 0.14 0.13 -0.277 0.191434169278997 0.189084521260021 0.5345 0.8272 3187982 PK04_103178 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I21 mock treatment -1.812 -1.29 -1.14 -1.456 -0.923 -0.88 -1.362 -0.893565830721003 -0.882598273613066 -1.6754 -0.9921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I22 mock treatment -1.328 -0.806 -0.71 -1.261 -0.728 -0.69 -1.333 -0.864565830721003 -0.853954217344569 -1.3046 -0.9955 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I23 compound treatment -1.459 -0.937 -0.83 -1.673 -1.14 -1.09 -1.278 -0.809565830721003 -0.799629283042247 -1.5667 -0.99 3187983 PK04_103179 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 I24 compound treatment -0.396 0.126 0.11 -0.875 -0.342 -0.33 -0.894 -0.425565830721003 -0.420342469004214 -0.3662 -0.6739 3070605 PK04_103180 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J01 compound treatment -0.422 0.1 0.09 -0.533 4.82E-5 0.0 0.109 0.577434169278997 0.570346787454503 0.3806 0.6593 3187984 PK04_103181 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J02 compound treatment -1.595 -1.07 -0.95 -1.032 -0.499 -0.48 -1.391 -0.922565830721003 -0.911242329881564 -1.348 -0.964 3187985 PK04_103182 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J03 compound treatment -1.151 -0.629 -0.56 -1.119 -0.586 -0.56 -1.07 -0.601565830721003 -0.594182258771646 -0.9862 -0.9995 3070606 PK04_103183 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J04 compound treatment 1.505 2.03 1.45 1.771 2.3 1.61 1.493 1.961434169279 1.56918507627173 2.6684 0.999 3187986 PK04_103184 CN1CCC(=CC1c2ccc(CN3CCCC3)cc2)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J05 mock treatment -1.102 -0.58 -0.51 -0.968 -0.435 -0.41 -1.2 -0.731565830721003 -0.722586648940771 -0.9522 -0.9737 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J06 mock treatment -1.606 -1.08 -0.96 -1.312 -0.779 -0.74 -0.933 -0.464565830721003 -0.458863786054951 -1.2464 -0.962 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J07 compound treatment -0.816 -0.294 -0.26 -0.203 0.33 0.31 -0.789 -0.320565830721003 -0.316631230790689 -0.1511 -0.2927 3187987 PK04_103185 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J08 compound treatment -0.746 -0.224 -0.2 -0.687 -0.154 -0.15 -0.81 -0.341565830721003 -0.337373478433394 -0.3936 -0.9424 3070607 PK04_103186 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3ccc(CN4CCCC4)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J09 compound treatment -0.806 -0.284 -0.25 -0.868 -0.335 -0.32 -0.946 -0.477565830721003 -0.471704225071864 -0.6013 -0.9664 3187988 PK04_103187 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J10 compound treatment -1.346 -0.824 -0.73 -1.167 -0.634 -0.6 -1.071 -0.602565830721003 -0.595169984849869 -1.1127 -0.9956 3070608 PK04_103188 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J11 compound treatment -0.731 -0.209 -0.18 -0.74 -0.207 -0.2 -0.825 -0.356565830721003 -0.352189369606755 -0.4236 -0.9547 3187989 PK04_103189 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J12 compound treatment 0.259 0.781 0.69 -0.12 0.413 0.39 -0.145 0.323434169278997 0.319464363585595 0.8105 0.9459 3070609 PK04_103190 CN1CCC(=CC1C2CC2)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J13 compound treatment 2.081 2.6 1.52 1.788 2.32 1.61 2.434 2.902434169279 1.7120815771277 2.7978 0.9989 3187990 PK04_103191 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J14 compound treatment -1.423 -0.901 -0.8 -0.89 -0.357 -0.34 -1.098 -0.629565830721003 -0.621838588961919 -1.015 -0.9522 3187991 PK04_103192 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J15 compound treatment -1.338 -0.816 -0.72 -1.215 -0.682 -0.65 -1.192 -0.723565830721003 -0.714684840314979 -1.204 -0.9989 3070610 PK04_103193 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J16 compound treatment -1.437 -0.915 -0.81 -1.304 -0.771 -0.73 -1.403 -0.934565830721003 -0.923095042820252 -1.4238 -0.9956 3187992 PK04_103194 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J17 compound treatment -1.214 -0.692 -0.61 -0.841 -0.308 -0.29 -0.979 -0.510565830721003 -0.504299185653257 -0.8135 -0.9626 3070654 PK04_103195 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J18 compound treatment -0.44 0.0824 0.07 -0.426 0.107 0.1 -0.605 -0.136565830721003 -0.134889632397465 0.0231 0.1254 3187993 PK04_103196 CN1C(C2CC2)C3C4C(C1C=C3CCCO)C(=O)N(C(=O)N)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J19 compound treatment -0.857 -0.335 -0.3 -0.421 0.112 0.11 0.138 0.606434169278997 0.598990843723 0.2367 0.3499 3070655 PK04_103197 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J20 compound treatment -1.338 -0.816 -0.72 -1.0 -0.467 -0.44 -1.231 -0.762565830721003 -0.753206157365717 -1.108 -0.9774 3187994 PK04_103198 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J21 mock treatment -1.226 -0.704 -0.62 -0.731 -0.198 -0.19 -1.018 -0.549565830721003 -0.542820502703995 -0.7814 -0.9227 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J22 mock treatment -1.094 -0.572 -0.51 -0.894 -0.361 -0.34 -0.371 0.097434169278997 0.0962382699069614 -0.4347 -0.7026 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J23 compound treatment -1.158 -0.636 -0.56 -0.974 -0.441 -0.42 -1.259 -0.790565830721003 -0.78086248755599 -1.0178 -0.9696 3187995 PK04_103199 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 J24 compound treatment -0.808 -0.286 -0.25 -0.987 -0.454 -0.43 -1.065 -0.596565830721003 -0.589243628380525 -0.7356 -0.9513 3070656 PK04_103200 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)CCCO)C(=O)OCCS(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K01 compound treatment -0.923 -0.401 -0.35 -1.106 -0.573 -0.55 -1.377 -0.908565830721003 -0.897414164786427 -1.0377 -0.9362 3187996 PK04_103201 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K02 compound treatment -0.908 -0.386 -0.34 -1.549 -1.02 -0.97 -1.319 -0.850565830721003 -0.840126052249432 -1.2406 -0.9355 3187997 PK04_103202 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2cccc(OCCO)c2)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K03 compound treatment -2.012 -1.49 -1.32 -1.75 -1.22 -1.16 -1.785 -1.316565830721 -1.30040640470184 -2.1805 -0.9984 3070657 PK04_103203 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K04 compound treatment -1.726 -1.2 -1.06 -1.507 -0.974 -0.93 -1.949 -1.480565830721 -1.46239348153058 -1.9943 -0.9811 3187998 PK04_103204 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K05 compound treatment -1.234 -0.712 -0.63 -0.839 -0.306 -0.29 -0.396 0.072434169278997 0.0715451179513602 -0.4902 -0.7033 3070658 PK04_103205 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K06 compound treatment -1.128 -0.606 -0.54 -1.153 -0.62 -0.59 -1.0 -0.531565830721003 -0.525041433295962 -0.9532 -0.9986 3187999 PK04_103206 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K07 mock treatment -0.442 0.0804 0.07 -0.41 0.123 0.12 -0.784 -0.315565830721003 -0.311692600399569 -0.0712 -0.2091 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K08 mock treatment -0.365 0.157 0.14 -1.317 -0.784 -0.75 -0.338 0.130434169278997 0.128833230488355 -0.2764 -0.3588 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K09 compound treatment -1.203 -0.681 -0.6 -1.761 -1.23 -1.17 -1.471 -1.002565830721 -0.990260416139487 -1.5945 -0.9684 3188000 PK04_103207 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K10 compound treatment -0.708 -0.186 -0.16 -0.909 -0.376 -0.36 -0.685 -0.216565830721003 -0.213907718655389 -0.425 -0.9481 3070659 PK04_103208 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccc(OCCO)cc2)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K11 compound treatment -1.512 -0.99 -0.87 -1.742 -1.21 -1.15 -1.582 -1.113565830721 -1.09989801082236 -1.8051 -0.9934 3188108 PK04_103209 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K12 compound treatment -0.969 -0.447 -0.39 -0.8 -0.267 -0.25 -1.0 -0.531565830721003 -0.525041433295962 -0.6779 -0.9623 3188109 PK04_103210 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K13 compound treatment -0.939 -0.417 -0.37 -1.542 -1.01 -0.96 -2.162 -1.693565830721 -1.6727791361923 -1.7333 -0.8825 3070660 PK04_103211 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K14 compound treatment -0.42 0.102 0.09 -1.074 -0.541 -0.52 -0.948 -0.479565830721003 -0.473679677228312 -0.5187 -0.7349 3188110 PK04_103212 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K15 mock treatment -1.976 -1.45 -1.29 -1.649 -1.12 -1.06 -1.667 -1.198565830721 -1.1838547274714 -2.0392 -0.997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K16 mock treatment -1.476 -0.954 -0.84 -1.197 -0.664 -0.63 -1.576 -1.107565830721 -1.09397165435301 -1.4835 -0.9766 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K17 compound treatment -1.386 -0.864 -0.76 -1.016 -0.483 -0.46 -0.577 -0.108565830721003 -0.107233302207192 -0.7683 -0.8558 3070661 PK04_103213 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K18 compound treatment -0.878 -0.356 -0.31 -0.984 -0.451 -0.43 -0.788 -0.319565830721003 -0.315643504712465 -0.6118 -0.9885 3188111 PK04_103214 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K19 compound treatment -0.812 -0.29 -0.26 -0.767 -0.234 -0.22 -0.707 -0.238565830721003 -0.235637692376317 -0.4125 -0.9984 3188112 PK04_103215 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K20 compound treatment -0.539 -0.0166 -0.01 -1.086 -0.553 -0.53 0.813 1.281434169279 1.26570594652423 0.4182 0.305 3070662 PK04_103216 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K21 compound treatment -0.777 -0.255 -0.23 -1.224 -0.691 -0.66 -0.912 -0.443565830721003 -0.438121538412247 -0.7629 -0.928 3188113 PK04_103217 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K22 compound treatment -0.676 -0.154 -0.14 -0.828 -0.295 -0.28 -0.583 -0.114565830721003 -0.113159658676536 -0.3059 -0.9217 3188114 PK04_103218 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K23 mock treatment -1.133 -0.611 -0.54 -1.597 -1.06 -1.01 -1.295 -0.826565830721003 -0.816420626372055 -1.3682 -0.971 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 K24 mock treatment -1.125 -0.603 -0.53 -1.324 -0.791 -0.75 -1.01 -0.541565830721003 -0.534918694078203 -1.0514 -0.9858 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L01 compound treatment -0.378 0.144 0.13 -0.716 -0.183 -0.17 2.878 3.346434169279 1.75871103918603 0.9885 0.5579 3070663 PK04_103219 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L02 compound treatment -0.016 0.506 0.45 -1.476 -0.943 -0.9 -1.152 -0.683565830721003 -0.675175797186017 -0.6499 -0.5373 3188115 PK04_103220 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L03 compound treatment -0.916 -0.394 -0.35 -1.628 -1.09 -1.04 -0.974 -0.505565830721003 -0.499360555262137 -1.0914 -0.9037 3070664 PK04_103221 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L04 compound treatment -0.919 -0.397 -0.35 -1.929 -1.4 -1.33 -0.957 -0.488565830721003 -0.482569211932328 -1.2488 -0.8568 3188116 PK04_103222 CC1C=C(CCCO)C=C(C(=O)OCCS(=O)(=O)C)C(=CN1Cc2cccc(OC(F)(F)F)c2)C(=O)OCCS(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L05 compound treatment -0.329 0.193 0.17 -1.446 -0.913 -0.87 -1.101 -0.632565830721003 -0.624801767196591 -0.7641 -0.7046 3070665 PK04_103223 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L06 compound treatment -0.934 -0.412 -0.36 -1.554 -1.02 -0.97 -1.177 -0.708565830721003 -0.699868949141618 -1.1757 -0.9388 3188117 PK04_103224 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L07 mock treatment -0.717 -0.195 -0.17 -1.083 -0.55 -0.52 1.069 1.537434169279 1.46994488006126 0.4469 0.2846 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L08 mock treatment -1.108 -0.586 -0.52 -0.986 -0.453 -0.43 1.43 1.898434169279 1.55632925460703 0.3505 0.2067 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L09 compound treatment -0.589 -0.0666 -0.06 -1.013 -0.48 -0.46 -1.0 -0.531565830721003 -0.525041433295962 -0.6011 -0.8603 3188118 PK04_103225 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L10 compound treatment -0.878 -0.356 -0.31 -1.571 -1.04 -0.99 -1.321 -0.852565830721003 -0.842101504405881 -1.2386 -0.9269 3188119 PK04_103226 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L11 compound treatment -0.865 -0.343 -0.3 -1.114 -0.581 -0.55 -1.027 -0.558565830721003 -0.551710037408012 -0.8129 -0.97 3070666 PK04_103227 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L12 compound treatment -1.008 -0.486 -0.43 -1.174 -0.641 -0.61 -0.864 -0.395565830721003 -0.390710686657492 -0.826 -0.9804 3188120 PK04_103228 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L13 compound treatment -0.036 0.486 0.43 -0.575 -0.042 -0.04 -0.969 -0.500565830721003 -0.494421924871017 -0.0602 -0.0917 3188121 PK04_103229 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L14 compound treatment -0.475 0.0474 0.04 -1.202 -0.669 -0.64 -1.025 -0.556565830721003 -0.549734585251563 -0.6611 -0.7845 3188122 PK04_103230 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CO)cc3)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L15 mock treatment -1.332 -0.81 -0.72 -1.696 -1.16 -1.11 -1.109 -0.640565830721003 -0.632703575822383 -1.4182 -0.9694 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L16 mock treatment -0.723 -0.201 -0.18 -1.178 -0.645 -0.61 -0.14 0.328434169278997 0.324402993976716 -0.2698 -0.3763 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L17 compound treatment -0.606 -0.0836 -0.07 -1.207 -0.674 -0.64 0.322 0.790434169278997 0.780732442116224 0.0374 0.0369 3070709 PK04_103231 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L18 compound treatment -0.517 0.00545 0.0 -0.586 -0.053 -0.05 -0.7 -0.231565830721003 -0.228723609828749 -0.1584 -0.6761 3188123 PK04_103232 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L19 compound treatment -0.542 -0.0196 -0.02 -1.141 -0.608 -0.58 -0.526 -0.057565830721003 -0.0568592722177655 -0.3772 -0.6479 3070710 PK04_103233 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L20 compound treatment -0.824 -0.302 -0.27 -0.567 -0.034 -0.03 1.325 1.793434169279 1.53358639549948 0.7128 0.4578 3188124 PK04_103234 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L21 compound treatment -1.415 -0.893 -0.79 -1.709 -1.18 -1.12 -1.497 -1.028565830721 -1.01594129417331 -1.6889 -0.9901 3070711 PK04_103235 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L22 compound treatment -0.785 -0.263 -0.23 -1.246 -0.713 -0.68 1.286 1.754434169279 1.52468495833697 0.3541 0.2101 3188125 PK04_103236 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L23 mock treatment -0.544 -0.0216 -0.02 -0.879 -0.346 -0.33 -0.857 -0.388565830721003 -0.383796604109924 -0.4229 -0.8353 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 L24 mock treatment -0.686 -0.164 -0.14 -0.899 -0.366 -0.35 -0.581 -0.112565830721003 -0.111184206520088 -0.349 -0.8869 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M01 compound treatment -1.575 -1.05 -0.93 -0.4 0.133 0.13 -1.257 -0.788565830721003 -0.778887035399542 -0.9138 -0.7489 3070712 PK04_103237 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M02 compound treatment 0.054 0.576 0.51 0.023 0.556 0.53 0.063 0.531434169278997 0.524911387856197 0.9031 0.9999 3188126 PK04_103238 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccc(OCCO)cc3)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M03 compound treatment -1.21 -0.688 -0.61 -1.078 -0.545 -0.52 -1.235 -0.766565830721003 -0.757157061678613 -1.0878 -0.988 3070713 PK04_103239 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M04 compound treatment -0.085 0.437 0.39 -0.157 0.376 0.36 -0.579 -0.110565830721003 -0.10920875436364 0.3671 0.6818 3188127 PK04_103240 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M05 compound treatment -1.739 -1.22 -1.08 -1.712 -1.18 -1.12 -1.441 -0.972565830721003 -0.960628633792766 -1.824 -0.9979 3188128 PK04_103241 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M06 compound treatment -1.627 -1.1 -0.98 -0.852 -0.319 -0.3 -1.812 -1.343565830721 -1.32707500881389 -1.5054 -0.8985 3070714 PK04_103242 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M07 compound treatment -1.0 -0.478 -0.42 -0.817 -0.284 -0.27 -1.146 -0.677565830721003 -0.669249440716673 -0.7863 -0.9403 3188237 PK04_103243 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M08 compound treatment -0.759 -0.237 -0.21 -1.071 -0.538 -0.51 -1.023 -0.554565830721003 -0.547759133095115 -0.7329 -0.9411 3070715 PK04_103244 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccc(CO)o2)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M09 mock treatment -2.083 -1.56 -1.38 -1.625 -1.09 -1.04 -1.722 -1.253565830721 -1.23817966177372 -2.112 -0.9935 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M10 mock treatment -1.647 -1.12 -0.99 -1.46 -0.927 -0.88 -1.478 -1.009565830721 -0.997174498687055 -1.6596 -0.9985 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M11 compound treatment -1.625 -1.1 -0.97 -1.936 -1.4 -1.34 -1.759 -1.290565830721 -1.27472552666801 -2.0704 -0.9914 3188238 PK04_103245 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M12 compound treatment -1.449 -0.927 -0.82 -1.397 -0.864 -0.82 -1.663 -1.194565830721 -1.1799038231585 -1.6293 -0.9842 3188239 PK04_103246 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M13 mock treatment -2.215 -1.69 -1.5 -1.6 -1.07 -1.02 -1.6 -1.131565830721 -1.11767708023039 -2.0961 -0.9857 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M14 mock treatment -0.891 -0.369 -0.33 -1.02 -0.487 -0.46 -0.863 -0.394565830721003 -0.389722960579268 -0.681 -0.9899 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M15 compound treatment -1.289 -0.767 -0.68 -1.138 -0.605 -0.58 -1.153 -0.684565830721003 -0.676163523264241 -1.1144 -0.9973 3070716 PK04_103247 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M16 compound treatment -0.82 -0.298 -0.26 -1.04 -0.507 -0.48 -0.512 -0.043565830721003 -0.0430311071226289 -0.4556 -0.8258 3188240 PK04_103248 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M17 compound treatment -1.64 -1.12 -0.99 -1.567 -1.03 -0.98 -1.406 -0.937565830721003 -0.926058221054924 -1.6738 -0.9996 3070717 PK04_103249 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M18 compound treatment -1.949 -1.43 -1.26 -1.118 -0.585 -0.56 -1.937 -1.468565830721 -1.45054076859189 -1.8874 -0.9431 3188241 PK04_103250 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M19 compound treatment -0.44 0.0824 0.07 -1.161 -0.628 -0.6 -1.465 -0.996565830721003 -0.984334059670143 -0.8716 -0.7552 3188242 PK04_103251 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M20 compound treatment -1.207 -0.685 -0.61 -1.288 -0.755 -0.72 -1.047 -0.578565830721003 -0.571464558972492 -1.0946 -0.995 3070718 PK04_103252 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M21 compound treatment -1.942 -1.42 -1.26 -1.647 -1.11 -1.06 -1.824 -1.355565830721 -1.33892772175257 -2.1103 -0.9955 3188243 PK04_103253 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M22 compound treatment -1.647 -1.12 -0.99 -1.533 -1.0 -0.95 -1.698 -1.229565830721 -1.21447423589635 -1.8252 -0.9941 3188244 PK04_103254 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M23 compound treatment -0.964 -0.442 -0.39 -1.187 -0.654 -0.62 -0.907 -0.438565830721003 -0.433182908021126 -0.8352 -0.9787 3188245 PK04_103255 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 M24 compound treatment -1.826 -1.3 -1.15 -1.333 -0.8 -0.76 -1.727 -1.258565830721 -1.24311829216484 -1.8231 -0.9809 3070768 PK04_103256 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N01 compound treatment -1.412 -0.89 -0.79 -1.603 -1.07 -1.02 -1.462 -0.993565830721003 -0.981370881435471 -1.6091 -0.994 3188246 PK04_103257 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N02 compound treatment -1.5 -0.978 -0.86 -1.035 -0.502 -0.48 -1.185 -0.716565830721003 -0.707770757767411 -1.1837 -0.9741 3188247 PK04_103258 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N03 compound treatment -1.608 -1.09 -0.96 -1.358 -0.825 -0.79 -1.373 -0.904565830721003 -0.893463260473531 -1.5237 -0.9967 3070772 PK04_103259 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N04 compound treatment -1.0 -0.478 -0.42 -0.85 -0.317 -0.3 -0.899 -0.430565830721003 -0.425281099395334 -0.6636 -0.989 3188248 PK04_103260 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N05 compound treatment -1.879 -1.36 -1.2 -1.824 -1.29 -1.23 -1.723 -1.254565830721 -1.23916738785195 -2.1179 -0.9999 3188249 PK04_103261 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N06 compound treatment -0.833 -0.311 -0.27 -1.258 -0.725 -0.69 -1.067 -0.598565830721003 -0.591219080536973 -0.8986 -0.9462 3188250 PK04_103262 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N07 compound treatment -1.633 -1.11 -0.98 -0.9 -0.367 -0.35 -0.376 0.092434169278997 0.0912996395158411 -0.716 -0.6844 3070060 PK04_103263 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N08 compound treatment -0.792 -0.27 -0.24 -0.615 -0.082 -0.08 -0.836 -0.367565830721003 -0.363054356467219 -0.3923 -0.889 3188251 PK04_103264 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CN4CCCC4)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N09 mock treatment -1.41 -0.888 -0.78 -1.092 -0.559 -0.53 -1.208 -0.739565830721003 -0.730488457566563 -1.1822 -0.9876 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N10 mock treatment -0.721 -0.199 -0.18 -0.506 0.027 0.03 -0.563 -0.0945658307210029 -0.0934051371120551 -0.1404 -0.7002 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N11 compound treatment -1.293 -0.771 -0.68 -1.173 -0.64 -0.61 -1.258 -0.789565830721003 -0.779874761477766 -1.1956 -0.9949 3070061 PK04_103265 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N12 compound treatment -0.418 0.104 0.09 -0.537 -0.00395 0.0 -0.443 0.025434169278997 0.0251219922748302 0.0656 0.6854 3188252 PK04_103266 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N13 mock treatment -1.442 -0.92 -0.81 -1.318 -0.785 -0.75 -1.077 -0.608565830721003 -0.601096341319214 -1.2482 -0.9925 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N14 mock treatment -1.909 -1.39 -1.23 -1.25 -0.717 -0.68 -1.25 -0.781565830721003 -0.771972952851973 -1.5478 -0.9664 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N15 compound treatment -2.422 -1.9 -1.68 -1.811 -1.28 -1.22 -2.025 -1.556565830721 -1.53746066347561 -2.5601 -0.9916 3070062 PK04_103267 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N16 compound treatment -1.137 -0.615 -0.54 -1.325 -0.792 -0.75 -1.744 -1.275565830721 -1.25990963549465 -1.4767 -0.9431 3188253 PK04_103268 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N17 compound treatment -1.606 -1.08 -0.96 -1.486 -0.953 -0.91 -1.457 -0.988565830721003 -0.976432251044351 -1.641 -0.9995 3070063 PK04_103269 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N18 compound treatment -0.887 -0.365 -0.32 -1.06 -0.527 -0.5 -1.333 -0.864565830721003 -0.853954217344569 -0.9689 -0.9302 3188254 PK04_103270 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2ccc(CN3CCCC3)cc2)CCCO)C(=O)OCCS(=O)(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N19 compound treatment -1.604 -1.08 -0.96 -1.241 -0.708 -0.67 -0.199 0.269434169278997 0.266127155361497 -0.7878 -0.6565 3070064 PK04_103271 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N20 compound treatment -1.365 -0.843 -0.74 -1.141 -0.608 -0.58 -1.275 -0.806565830721003 -0.796666104807574 -1.2244 -0.9915 3188255 PK04_103272 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N21 compound treatment -1.377 -0.855 -0.76 -1.077 -0.544 -0.52 -1.37 -0.901565830721003 -0.890500082238859 -1.2495 -0.978 3070065 PK04_103273 CCCCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N22 compound treatment -0.922 -0.4 -0.35 -1.0 -0.467 -0.44 -1.07 -0.601565830721003 -0.594182258771646 -0.8038 -0.9779 3188256 PK04_103274 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2sc3ccccc3c2Cl)c4ccc(CN5CCCC5)cc4)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N23 compound treatment -0.895 -0.373 -0.33 -0.735 -0.202 -0.19 -0.91 -0.441565830721003 -0.436146086255798 -0.5531 -0.9545 3070066 PK04_103275 CC(C)C(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 N24 compound treatment -0.22 0.302 0.27 -0.846 -0.313 -0.3 -0.659 -0.190565830721003 -0.188226840621563 -0.1264 -0.2857 3188257 PK04_103276 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O01 compound treatment -1.378 -0.856 -0.76 -1.61 -1.08 -1.03 -1.551 -1.082565830721 -1.06927850239741 -1.6464 -0.9896 3188258 PK04_103277 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O02 compound treatment -0.896 -0.374 -0.33 -1.463 -0.93 -0.89 -1.259 -0.790565830721003 -0.78086248755599 -1.153 -0.9403 3070067 PK04_103278 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O03 compound treatment -1.0 -0.478 -0.42 -0.935 -0.402 -0.38 -0.951 -0.482565830721003 -0.476642855462984 -0.74 -0.996 3188259 PK04_103279 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O04 compound treatment -1.258 -0.736 -0.65 -1.338 -0.805 -0.77 -1.695 -1.226565830721 -1.21151105766167 -1.5177 -0.964 3188369 PK04_103280 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O05 compound treatment -0.833 -0.311 -0.27 -0.629 -0.096 -0.09 -0.5 -0.031565830721003 -0.0311783941839403 -0.2293 -0.7878 3070068 PK04_103281 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O06 compound treatment -0.787 -0.265 -0.23 -0.727 -0.194 -0.18 -0.072 0.396434169278997 0.391568367295951 -0.0156 -0.0318 3188370 PK04_103282 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O07 compound treatment -0.373 0.149 0.13 -0.315 0.218 0.21 -0.309 0.159434169278997 0.157477286756852 0.2871 0.9825 3070069 PK04_103283 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O08 compound treatment -0.09 0.432 0.38 -0.82 -0.287 -0.27 -0.267 0.201434169278997 0.198961782042262 0.1778 0.3483 3188371 PK04_103284 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccc(CO)o3)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O09 compound treatment -0.635 -0.113 -0.1 -1.486 -0.953 -0.91 -1.236 -0.767565830721003 -0.758144787756837 -1.0193 -0.8588 3188372 PK04_103285 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O10 compound treatment -0.296 0.226 0.2 -0.907 -0.374 -0.36 -0.704 -0.235565830721003 -0.232674514141645 -0.2244 -0.4773 3070070 PK04_103286 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O11 mock treatment -1.761 -1.24 -1.1 -1.851 -1.32 -1.26 -2.172 -1.703565830721 -1.68265639697454 -2.3286 -0.9834 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O12 mock treatment -1.408 -0.886 -0.78 -1.873 -1.34 -1.28 -1.619 -1.150565830721 -1.13644387571665 -1.8451 -0.9815 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O13 compound treatment -1.526 -1.0 -0.89 -1.517 -0.984 -0.94 -1.514 -1.045565830721 -1.03273263750312 -1.6497 -0.998 3188373 PK04_103287 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O14 compound treatment -0.393 0.129 0.11 -1.607 -1.07 -1.02 -1.169 -0.700565830721003 -0.691967140515826 -0.9241 -0.745 3188374 PK04_103288 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O15 compound treatment -1.0 -0.478 -0.42 -0.976 -0.443 -0.42 -1.099 -0.630565830721003 -0.622826315040143 -0.847 -0.9818 3070071 PK04_103289 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O16 compound treatment -1.25 -0.728 -0.64 -1.426 -0.893 -0.85 -1.719 -1.250565830721 -1.23521648353905 -1.5757 -0.9655 3188375 PK04_103290 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O17 compound treatment -0.69 -0.168 -0.15 -0.828 -0.295 -0.28 -0.723 -0.254565830721003 -0.251441309627902 -0.3929 -0.9699 3070072 PK04_103291 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccc(OCCO)cc2)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O18 compound treatment -0.532 -0.00955 -0.01 -0.697 -0.164 -0.16 0.023 0.491434169278997 0.485402344727235 0.1852 0.3631 3188376 PK04_103292 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O19 compound treatment -0.596 -0.0736 -0.07 -0.18 0.353 0.34 -0.333 0.135434169278997 0.133771860879475 0.2339 0.6359 3188377 PK04_103293 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O20 compound treatment -0.292 0.23 0.2 -1.222 -0.689 -0.66 -0.099 0.369434169278997 0.364899763183901 -0.0506 -0.0651 3070073 PK04_103294 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3cccc(OCCO)c3)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O21 compound treatment -0.996 -0.474 -0.42 -1.944 -1.41 -1.34 -1.553 -1.084565830721 -1.07125395455386 -1.6363 -0.9249 3188378 PK04_103295 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O22 compound treatment -0.612 -0.0896 -0.08 -1.109 -0.576 -0.55 -0.714 -0.245565830721003 -0.242551774923886 -0.5025 -0.8305 3188379 PK04_103296 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O23 compound treatment -1.2 -0.678 -0.6 -1.343 -0.81 -0.77 -1.373 -0.904565830721003 -0.893463260473531 -1.3072 -0.9874 3070074 PK04_103297 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2cccc(OCCO)c2)/C(=C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 O24 compound treatment -0.888 -0.366 -0.32 -1.567 -1.03 -0.98 -1.528 -1.059565830721 -1.04656080259826 -1.3595 -0.9229 3188380 PK04_103298 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P01 compound treatment 0.792 1.31 1.16 -0.421 0.112 0.11 0.605 1.073434169279 1.06025892225363 1.3447 0.8529 3070075 PK04_103299 COCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P02 compound treatment -0.691 -0.169 -0.15 -1.43 -0.897 -0.85 -1.402 -0.933565830721003 -0.922107316742028 -1.1118 -0.8782 3188381 PK04_103300 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)c3ccc(CO)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P03 compound treatment -1.13 -0.608 -0.54 -2.023 -1.49 -1.42 -1.867 -1.398565830721 -1.38139994311621 -1.9272 -0.9391 3188382 PK04_103301 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P04 compound treatment -0.598 -0.0756 -0.07 -1.226 -0.693 -0.66 -1.077 -0.608565830721003 -0.601096341319214 -0.7667 -0.8564 3070118 PK04_103302 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P05 compound treatment -1.63 -1.11 -0.98 -1.851 -1.32 -1.26 -1.56 -1.091565830721 -1.07816803710143 -1.9127 -0.9947 3188383 PK04_103303 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P06 compound treatment -1.109 -0.587 -0.52 -1.321 -0.788 -0.75 -0.44 0.028434169278997 0.0280851705095023 -0.7166 -0.785 3070119 PK04_103304 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cccc(OC(F)(F)F)c3)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P07 compound treatment -1.328 -0.806 -0.71 -1.606 -1.07 -1.02 -0.944 -0.475565830721003 -0.469728772915416 -1.2725 -0.9558 3188384 PK04_103305 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P08 compound treatment -0.372 0.15 0.13 -0.709 -0.176 -0.17 -0.542 -0.073565830721003 -0.0726628894693502 -0.0619 -0.2741 3188385 PK04_103306 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3ccc(CN4CCCC4)cc3)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P09 compound treatment -1.268 -0.746 -0.66 -1.911 -1.38 -1.31 -1.0 -0.531565830721003 -0.525041433295962 -1.4416 -0.9241 3070120 PK04_103307 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P10 compound treatment -0.829 -0.307 -0.27 -1.293 -0.76 -0.72 -0.964 -0.495565830721003 -0.489483294479897 -0.8571 -0.9367 3188386 PK04_103308 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P11 mock treatment -0.922 -0.4 -0.35 -1.197 -0.664 -0.63 -0.925 -0.456565830721003 -0.450961977429159 -0.8295 -0.972 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P12 mock treatment -0.585 -0.0626 -0.06 -0.464 0.069 0.07 -0.448 0.020434169278997 0.0201833618837099 0.0177 0.2005 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P13 compound treatment -1.0 -0.478 -0.42 -1.57 -1.04 -0.99 -1.25 -0.781565830721003 -0.771972952851973 -1.2598 -0.9523 3070121 PK04_103309 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P14 compound treatment -1.143 -0.621 -0.55 -1.441 -0.908 -0.86 -1.195 -0.726565830721003 -0.717648018549651 -1.2305 -0.9839 3188387 PK04_103310 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P15 compound treatment -1.161 -0.639 -0.56 -2.01 -1.48 -1.41 -1.855 -1.386565830721 -1.36954723017752 -1.929 -0.9442 3188388 PK04_103311 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P16 compound treatment -0.203 0.319 0.28 -0.783 -0.25 -0.24 -0.705 -0.236565830721003 -0.233662240219869 -0.1093 -0.2501 3070122 PK04_103312 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2ccc(CN3CCCC3)cc2)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P17 compound treatment -1.12 -0.598 -0.53 -1.899 -1.37 -1.3 -1.444 -0.975565830721003 -0.963591812027438 -1.6126 -0.9468 3188389 PK04_103313 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P18 compound treatment -0.617 -0.0946 -0.08 -0.836 -0.303 -0.29 -0.4 0.068434169278997 0.067594213638464 -0.1759 -0.571 3188390 PK04_103314 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P19 compound treatment -1.078 -0.556 -0.49 -1.391 -0.858 -0.82 -1.106 -0.637565830721003 -0.629740397587711 -1.119 -0.9793 3070123 PK04_103315 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P20 compound treatment -0.614 -0.0916 -0.08 -0.733 -0.2 -0.19 -0.421 0.047434169278997 0.0468519659957592 -0.1297 -0.611 3188503 PK04_103316 COP(=O)(OC)/N=C\1/CC(=CC(C)N1Cc2cccc(OC(F)(F)F)c2)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P21 compound treatment -1.229 -0.707 -0.62 -1.813 -1.28 -1.22 -1.611 -1.142565830721 -1.12854206709085 -1.7162 -0.9669 3188504 PK04_103317 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P22 compound treatment -0.602 -0.0796 -0.07 -0.97 -0.437 -0.42 -0.737 -0.268565830721003 -0.265269474723039 -0.4341 -0.8706 3070124 PK04_103318 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4ccc(CN5CCCC5)cc4)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P23 compound treatment -0.87 -0.348 -0.31 -1.379 -0.846 -0.81 -0.817 -0.348565830721003 -0.344287560980962 -0.8415 -0.9061 3188505 PK04_103319 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2103 P24 compound treatment -0.822 -0.3 -0.26 -0.958 -0.425 -0.4 -0.865 -0.396565830721003 -0.391698412735716 -0.6128 -0.9845 3188506 PK04_103320 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)c5ccc(CO)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A01 compound treatment -0.917 -0.395 -0.35 -0.909 -0.376 -0.36 -0.9 -0.431565830721003 -0.426268825473558 -0.6543 -0.9959 3220649 PK04_107001 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A02 compound treatment -1.168 -0.646 -0.57 -1.292 -0.759 -0.72 -1.015 -0.546565830721003 -0.539857324469323 -1.0586 -0.9915 3188507 PK04_107002 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(o3)c4ccc(Cl)c(Cl)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A03 compound treatment -1.0 -0.478 -0.42 -1.0 -0.467 -0.44 -0.93 -0.461565830721003 -0.455900607820279 -0.7638 -0.9995 3220651 PK04_107003 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4cncn4C)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A04 compound treatment -0.721 -0.199 -0.18 -0.865 -0.332 -0.32 -0.682 -0.213565830721003 -0.210944540420716 -0.4057 -0.969 3070126 PK04_107004 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A05 compound treatment -0.628 -0.106 -0.09 -0.875 -0.342 -0.33 -0.788 -0.319565830721003 -0.315643504712465 -0.4242 -0.916 3220653 PK04_107005 CCCCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A06 compound treatment -1.215 -0.693 -0.61 -0.64 -0.107 -0.1 -1.167 -0.698565830721003 -0.689991688359378 -0.8107 -0.8735 3070127 PK04_107006 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A07 compound treatment -0.182 0.34 0.3 -0.328 0.205 0.2 -0.311 0.157434169278997 0.155501834600404 0.3763 0.9623 3220655 PK04_107007 CCOC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A08 compound treatment -0.672 -0.15 -0.13 -0.738 -0.205 -0.2 -0.489 -0.020565830721003 -0.0203134073234758 -0.2008 -0.8484 3070128 PK04_107008 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3CO[Si](C(C)C)(C(C)C)c31 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A09 compound treatment -0.853 -0.331 -0.29 -0.766 -0.233 -0.22 -0.735 -0.266565830721003 -0.263294022566591 -0.4489 -0.9939 3220657 PK04_107009 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)c3ccccn3)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A10 compound treatment -1.018 -0.496 -0.44 -0.941 -0.408 -0.39 -0.889 -0.420565830721003 -0.415403838613093 -0.7172 -0.9988 3070129 PK04_107010 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A11 compound treatment -0.155 0.367 0.32 -0.259 0.274 0.26 -0.358 0.110434169278997 0.109078708923874 0.4013 0.9314 3220659 PK04_107011 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCCC3)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A12 compound treatment -1.255 -0.733 -0.65 -0.861 -0.328 -0.31 -1.016 -0.547565830721003 -0.540845050547547 -0.8666 -0.9631 3188513 PK04_107012 CCCCCCc1nc(CCCc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)cc4CO[Si](C(C)C)(C(C)C)c41 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A13 mock treatment -0.682 -0.16 -0.14 -0.582 -0.049 -0.05 -0.427 0.041434169278997 0.0409256095264149 -0.0847 -0.5499 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A14 mock treatment -1.209 -0.687 -0.61 -1.025 -0.492 -0.47 -0.782 -0.313565830721003 -0.309717148243121 -0.7998 -0.9671 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A15 compound treatment -0.859 -0.337 -0.3 -0.26 0.273 0.26 -0.618 -0.149565830721003 -0.147730071414378 -0.1069 -0.2534 3220661 PK04_107013 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A16 compound treatment -1.906 -1.38 -1.22 -1.641 -1.11 -1.06 -1.396 -0.927565830721003 -0.916180960272684 -1.8446 -0.9931 3188514 PK04_107014 CCCCCCc1nc(c2ccc(o2)c3ccc(Cl)c(Cl)c3)c(C)c4CO[Si](C(C)C)(C(C)C)c41 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A17 compound treatment -1.011 -0.489 -0.43 -1.173 -0.64 -0.61 -0.904 -0.435565830721003 -0.430219729786454 -0.8497 -0.9856 3220663 PK04_107015 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3ccccc3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A18 compound treatment -1.115 -0.593 -0.52 -0.57 -0.037 -0.04 -0.917 -0.448565830721003 -0.443060168803367 -0.5786 -0.8422 3070178 PK04_107016 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A19 compound treatment -0.582 -0.0596 -0.05 -0.746 -0.213 -0.2 -0.727 -0.258565830721003 -0.255392213940798 -0.295 -0.8928 3220665 PK04_107017 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(Cc3ccccc3)nn2)C(C)C)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A20 compound treatment -0.702 -0.18 -0.16 -0.639 -0.106 -0.1 -0.568 -0.0995658307210029 -0.0983437675031753 -0.2067 -0.9738 3070179 PK04_107018 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A21 compound treatment -0.563 -0.0406 -0.04 -1.213 -0.68 -0.65 -1.102 -0.633565830721003 -0.625789493274815 -0.756 -0.8387 3220667 PK04_107019 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)C3(O)CCCCC3)C(C)C)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A22 compound treatment -1.308 -0.786 -0.69 -1.047 -0.514 -0.49 -0.891 -0.422565830721003 -0.417379290769542 -0.9246 -0.9767 3070180 PK04_107020 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A23 compound treatment -0.548 -0.0256 -0.02 -0.473 0.06 0.06 -0.451 0.017434169278997 0.0172201836490378 0.0299 0.4685 3220669 PK04_107021 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3cncn3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 A24 compound treatment 0.5 1.02 0.9 -0.11 0.423 0.4 0.138 0.606434169278997 0.598990843723 1.1004 0.9512 3070181 PK04_107022 CCCCCCc1nc(C2CC2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B01 compound treatment -1.702 -1.18 -1.04 -1.761 -1.23 -1.17 -1.633 -1.164565830721 -1.15027204081178 -1.9416 -0.9988 3188518 PK04_107023 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B02 compound treatment -2.346 -1.82 -1.61 -1.67 -1.14 -1.08 -1.523 -1.054565830721 -1.04162217220714 -2.1575 -0.9789 3188519 PK04_107024 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B03 compound treatment -2.145 -1.62 -1.43 -1.743 -1.21 -1.15 -1.718 -1.249565830721 -1.23422875746083 -2.2063 -0.9957 3070182 PK04_107025 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B04 compound treatment -1.353 -0.831 -0.73 -0.978 -0.445 -0.42 -1.244 -0.775565830721003 -0.766046596382629 -1.111 -0.9722 3188520 PK04_107026 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B05 compound treatment -1.847 -1.32 -1.17 -1.5 -0.967 -0.92 -1.561 -1.092565830721 -1.07915576317965 -1.831 -0.9953 3188521 PK04_107027 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B06 compound treatment -2.333 -1.81 -1.6 -2.0 -1.47 -1.4 -1.271 -0.802565830721003 -0.792715200494678 -2.1887 -0.965 3070183 PK04_107028 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B07 compound treatment -1.6 -1.08 -0.95 -1.015 -0.482 -0.46 -0.849 -0.380565830721003 -0.375894795484132 -1.0321 -0.9196 3188640 PK04_107029 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B08 compound treatment -1.292 -0.77 -0.68 -0.842 -0.309 -0.29 -0.817 -0.348565830721003 -0.344287560980962 -0.7615 -0.9317 3188641 PK04_107030 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B09 compound treatment -1.902 -1.38 -1.22 -1.456 -0.923 -0.88 -1.5 -1.031565830721 -1.01890447240798 -1.8001 -0.9911 3070184 PK04_107031 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B10 compound treatment -1.066 -0.544 -0.48 -0.798 -0.265 -0.25 -0.845 -0.376565830721003 -0.371943891171236 -0.6379 -0.9695 3188642 PK04_107032 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B11 compound treatment -0.877 -0.355 -0.31 -1.0 -0.467 -0.44 -1.0 -0.531565830721003 -0.525041433295962 -0.7409 -0.9798 3070185 PK04_107033 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B12 compound treatment -0.2 0.322 0.29 -0.671 -0.138 -0.13 -0.42 0.048434169278997 0.0478396920739832 0.1163 0.3664 3188643 PK04_107034 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B13 mock treatment -0.558 -0.0356 -0.03 -0.522 0.011 0.01 -0.522 -0.053565830721003 -0.0529083679048693 -0.0426 -0.6826 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B14 mock treatment -0.79 -0.268 -0.24 -0.635 -0.102 -0.1 -0.646 -0.177565830721003 -0.175386401604651 -0.2939 -0.9478 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B15 compound treatment -1.633 -1.11 -0.98 -1.284 -0.751 -0.72 -1.326 -0.857565830721003 -0.847040134797001 -1.4689 -0.9919 3188644 PK04_107035 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B16 compound treatment -0.813 -0.291 -0.26 -0.844 -0.311 -0.3 -1.056 -0.587565830721003 -0.580354093676509 -0.6544 -0.9343 3070186 PK04_107036 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B17 compound treatment -1.0 -0.478 -0.42 -0.965 -0.432 -0.41 -0.787 -0.318565830721003 -0.314655778634241 -0.663 -0.9921 3188645 PK04_107037 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B18 compound treatment -1.356 -0.834 -0.74 -1.661 -1.13 -1.07 -0.878 -0.409565830721003 -0.404538851752629 -1.2794 -0.9378 3188646 PK04_107038 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B19 compound treatment -0.966 -0.444 -0.39 -0.847 -0.314 -0.3 -0.971 -0.502565830721003 -0.496397377027465 -0.6857 -0.9799 3070187 PK04_107039 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B20 compound treatment -1.397 -0.875 -0.77 -1.0 -0.467 -0.44 -0.854 -0.385565830721003 -0.380833425875252 -0.9231 -0.9517 3188647 PK04_107040 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B21 compound treatment -1.226 -0.704 -0.62 -1.169 -0.636 -0.61 -1.322 -0.853565830721003 -0.843089230484105 -1.1957 -0.9879 3188648 PK04_107041 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B22 compound treatment -1.067 -0.545 -0.48 -1.138 -0.605 -0.58 -1.13 -0.661565830721003 -0.653445823465088 -0.988 -0.9925 3070188 PK04_107042 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B23 compound treatment -0.87 -0.348 -0.31 -0.811 -0.278 -0.26 -0.921 -0.452565830721003 -0.447011073116263 -0.5884 -0.9747 3188649 PK04_107043 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 B24 compound treatment -0.415 0.107 0.09 -0.579 -0.046 -0.04 -0.457 0.011434169278997 0.0112938271796935 0.0361 0.3431 3188650 PK04_107044 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C01 compound treatment -0.909 -0.387 -0.34 -0.02 0.513 0.49 -0.919 -0.450565830721003 -0.445035620959815 -0.1721 -0.2312 3414054 PK04_107045 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C02 compound treatment -1.661 -1.14 -1.01 -1.685 -1.15 -1.1 -1.583 -1.114565830721 -1.10088573690058 -1.8503 -0.9992 3188651 PK04_107046 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C03 compound treatment -0.606 -0.0836 -0.07 -0.604 -0.071 -0.07 -0.711 -0.242565830721003 -0.239588596689214 -0.22 -0.8472 3414055 PK04_107047 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(Cc4ccccc4)nn3)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C04 compound treatment -1.478 -0.956 -0.84 -1.519 -0.986 -0.94 -1.776 -1.307565830721 -1.29151686999782 -1.7757 -0.9829 3070235 PK04_107048 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4cc(C)c(OC)c(C)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C05 compound treatment -0.213 0.309 0.27 -0.089 0.444 0.42 0.073 0.541434169278997 0.534788648638437 0.7109 0.9677 3414056 PK04_107049 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C06 compound treatment -0.351 0.171 0.15 -0.474 0.059 0.06 -0.084 0.384434169278997 0.379715654357262 0.3392 0.8219 3070236 PK04_107050 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(OC)nc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C07 compound treatment 0.578 1.1 0.97 -0.2 0.333 0.32 -0.069 0.399434169278997 0.394531545530623 0.9727 0.8869 3414057 PK04_107051 CCCCc1cn(C[C@@H]2CCCN2C(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C08 compound treatment 0.013 0.535 0.47 -0.833 -0.3 -0.29 0.063 0.531434169278997 0.524911387856197 0.4114 0.5396 3188655 PK04_107052 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3[C@@H](O[Si](C(C)C)(C(C)C)c31)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C09 compound treatment -0.695 -0.173 -0.15 -0.615 -0.082 -0.08 -0.564 -0.0955658307210029 -0.0943928631902791 -0.1877 -0.9591 3220705 PK04_107053 CCc1oc(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCCC3)c(C(=O)OC)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C10 compound treatment -0.12 0.402 0.36 -0.333 0.2 0.19 -0.203 0.265434169278997 0.262176251048601 0.4668 0.9699 3188656 PK04_107054 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C11 mock treatment -0.289 0.233 0.21 -0.569 -0.036 -0.03 -0.279 0.189434169278997 0.187109069103573 0.2074 0.739 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C12 mock treatment -0.384 0.138 0.12 -0.544 -0.011 -0.01 -0.533 -0.064565830721003 -0.0637733547653338 0.0278 0.201 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C13 compound treatment -1.059 -0.537 -0.47 -0.693 -0.16 -0.15 -0.851 -0.382565830721003 -0.37787024764058 -0.58 -0.9275 3220708 PK04_107055 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C14 compound treatment -0.396 0.126 0.11 -1.02 -0.487 -0.46 -0.962 -0.493565830721003 -0.487507842323449 -0.4848 -0.7106 3188772 PK04_107056 CCCCCCc1nc(CCCc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)c4ccccc4)cc5[C@@H](O[Si](C(C)C)(C(C)C)c51)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C15 mock treatment -0.582 -0.0596 -0.05 -0.538 -0.00495 0.0 -0.493 -0.024565830721003 -0.024264311636372 -0.0471 -0.8103 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C16 mock treatment -0.571 -0.0486 -0.04 -0.56 -0.027 -0.03 -0.719 -0.250565830721003 -0.247490405315006 -0.1825 -0.7228 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C17 compound treatment -0.109 0.413 0.37 -0.241 0.292 0.28 0.018 0.486434169278997 0.480463714336115 0.6491 0.9764 3220711 PK04_107057 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C18 compound treatment -0.651 -0.129 -0.11 -0.614 -0.081 -0.08 -0.359 0.109434169278997 0.10809098284565 -0.0477 -0.2731 3070242 PK04_107058 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C19 compound treatment -0.66 -0.138 -0.12 -0.698 -0.165 -0.16 -0.454 0.014434169278997 0.0142570054143657 -0.1527 -0.7665 3220713 PK04_107059 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4N)oc(C(=O)C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C20 compound treatment 0.143 0.665 0.59 1.81 2.34 1.61 0.065 0.533434169278997 0.526886840012645 1.5752 0.877 3070245 PK04_107060 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C21 compound treatment -0.32 0.202 0.18 -0.61 -0.077 -0.07 -0.554 -0.085565830721003 -0.0845156024080388 0.0122 0.0579 3220715 PK04_107061 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C22 compound treatment -0.536 -0.0136 -0.01 -0.71 -0.177 -0.17 -0.681 -0.212565830721003 -0.209956814342492 -0.2255 -0.8365 3070527 PK04_107062 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C23 compound treatment -0.388 0.134 0.12 -0.27 0.263 0.25 -0.355 0.113434169278997 0.112041887158546 0.278 0.9293 3220717 PK04_107063 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 C24 compound treatment -0.326 0.196 0.17 -0.986 -0.453 -0.43 -1.164 -0.695565830721003 -0.687028510124705 -0.5455 -0.6575 3070530 PK04_107064 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)C4CC4)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D01 compound treatment -0.519 0.00345 0.0 -0.651 -0.118 -0.11 -0.125 0.343434169278997 0.339218885150076 0.1327 0.3714 3188777 PK04_107065 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D02 compound treatment -0.529 -0.00655 -0.01 -0.768 -0.235 -0.22 -0.272 0.196434169278997 0.194023151651142 -0.0206 -0.0694 3188778 PK04_107066 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D03 compound treatment -1.158 -0.636 -0.56 -1.706 -1.17 -1.12 -1.613 -1.144565830721 -1.1305175192473 -1.6223 -0.9622 3070575 PK04_107067 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D04 compound treatment -0.496 0.0264 0.02 -0.449 0.084 0.08 -0.56 -0.0915658307210031 -0.090441958877383 0.0075 0.061 3188779 PK04_107068 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D05 compound treatment -0.854 -0.332 -0.29 -1.118 -0.585 -0.56 -0.954 -0.485565830721003 -0.479606033697656 -0.7679 -0.9701 3188780 PK04_107069 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D06 compound treatment -0.329 0.193 0.17 -0.481 0.052 0.05 -0.364 0.104434169278997 0.10315235245453 0.1869 0.9083 3070579 PK04_107070 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D07 compound treatment -0.725 -0.203 -0.18 -1.294 -0.761 -0.72 -0.144 0.324434169278997 0.320452089663819 -0.3369 -0.4146 3188781 PK04_107071 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D08 compound treatment -0.709 -0.187 -0.16 -0.375 0.158 0.15 -0.701 -0.232565830721003 -0.229711335906973 -0.1409 -0.4399 3188782 PK04_107072 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D09 compound treatment 0.506 1.03 0.91 -0.837 -0.304 -0.29 -0.766 -0.297565830721003 -0.293913530991536 0.1881 0.1884 3188783 PK04_107073 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D10 compound treatment -0.437 0.0854 0.08 -0.623 -0.09 -0.09 -0.387 0.081434169278997 0.0804346526553766 0.0406 0.2904 3070632 PK04_107074 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D11 mock treatment -0.203 0.319 0.28 -0.507 0.026 0.02 -0.258 0.210434169278997 0.207851316746278 0.2974 0.846 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D12 mock treatment -0.193 0.329 0.29 -0.444 0.089 0.08 -0.576 -0.107565830721003 -0.106245576128968 0.1558 0.4847 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D13 compound treatment -0.545 -0.0226 -0.02 -0.816 -0.283 -0.27 -0.254 0.214434169278997 0.211802221059175 -0.0449 -0.1306 3188784 PK04_107075 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D14 compound treatment -0.704 -0.182 -0.16 -0.942 -0.409 -0.39 -0.711 -0.242565830721003 -0.239588596689214 -0.4559 -0.9406 3188785 PK04_107076 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D15 mock treatment -0.466 0.0564 0.05 -0.654 -0.121 -0.12 -0.408 0.060434169278997 0.0596924050126717 -0.0033 -0.0234 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D16 mock treatment -0.464 0.0584 0.05 -0.5 0.033 0.03 -0.069 0.399434169278997 0.394531545530623 0.2758 0.691 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D17 compound treatment -0.562 -0.0396 -0.03 -1.082 -0.549 -0.52 -0.945 -0.476565830721003 -0.47071649899364 -0.5939 -0.843 3070637 PK04_107077 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D18 compound treatment 0.457 0.979 0.87 -0.716 -0.183 -0.17 -0.618 -0.149565830721003 -0.147730071414378 0.314 0.3506 3188786 PK04_107078 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D19 compound treatment -1.0 -0.478 -0.42 -1.236 -0.703 -0.67 -0.193 0.275434169278997 0.272053511830841 -0.4733 -0.5654 3188787 PK04_107079 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D20 compound treatment -0.94 -0.418 -0.37 2.352 2.89 1.68 -0.88 -0.411565830721003 -0.406514303909077 0.5218 0.2953 3070641 PK04_107080 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D21 compound treatment -0.975 -0.453 -0.4 -1.324 -0.791 -0.75 -0.879 -0.410565830721003 -0.405526577830853 -0.9002 -0.9529 3188905 PK04_107081 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D22 compound treatment -0.66 -0.138 -0.12 -0.73 -0.197 -0.19 -0.94 -0.471565830721003 -0.46577786860252 -0.4475 -0.866 3188906 PK04_107082 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D23 compound treatment -1.684 -1.16 -1.03 -1.24 -0.707 -0.67 -0.137 0.331434169278997 0.327366172211388 -0.7927 -0.6237 3070684 PK04_107083 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 D24 compound treatment -1.269 -0.747 -0.66 -1.272 -0.739 -0.7 -0.137 0.331434169278997 0.327366172211388 -0.5985 -0.5873 3188907 PK04_107084 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E01 mock treatment -0.75 -0.228 -0.2 -0.704 -0.171 -0.16 -0.628 -0.159565830721003 -0.157607332196618 -0.3012 -0.9938 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E02 mock treatment -1.321 -0.799 -0.71 -1.211 -0.678 -0.65 -0.976 -0.507565830721003 -0.501336007418585 -1.0699 -0.9905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E03 compound treatment -0.843 -0.321 -0.28 -0.606 -0.073 -0.07 -0.5 -0.031565830721003 -0.0311783941839403 -0.2217 -0.7556 3220739 PK04_107085 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E04 compound treatment -1.657 -1.13 -1.0 -1.173 -0.64 -0.61 -1.0 -0.531565830721003 -0.525041433295962 -1.2342 -0.9598 3070690 PK04_107086 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C(=C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E05 compound treatment -0.477 0.0454 0.04 -0.833 -0.3 -0.29 -0.804 -0.335565830721003 -0.33144712196405 -0.3331 -0.7581 3220741 PK04_107087 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCC4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E06 compound treatment -0.546 -0.0236 -0.02 -1.111 -0.578 -0.55 -1.717 -1.248565830721 -1.2332410313826 -1.0419 -0.7714 3070694 PK04_107088 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E07 compound treatment -0.629 -0.107 -0.09 -0.303 0.23 0.22 -0.468 4.34169278996976E-4 4.28840319229044E-4 0.0724 0.3035 3220743 PK04_107089 COCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)N4CCOCC4)c(C(=O)OC)c3C(=O)OC)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E08 compound treatment -2.052 -1.53 -1.35 -1.738 -1.2 -1.15 -1.651 -1.182565830721 -1.16805111021982 -2.1179 -0.9972 3188910 PK04_107090 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)c5ccc(o5)c6ccc(Cl)c(Cl)c6)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E09 mock treatment -1.667 -1.14 -1.01 -0.437 0.096 0.09 -0.365 0.103434169278997 0.102164626376306 -0.4724 -0.4626 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E10 mock treatment -0.482 0.0404 0.04 -0.424 0.109 0.1 -0.511 -0.042565830721003 -0.0420433810444048 0.0563 0.479 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E11 compound treatment -0.706 -0.184 -0.16 -0.638 -0.105 -0.1 -0.636 -0.167565830721003 -0.16550914082241 -0.247 -0.9784 3188911 PK04_107091 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E12 compound treatment -1.0 -0.478 -0.42 -1.12 -0.587 -0.56 -1.103 -0.634565830721003 -0.626777219353039 -0.9285 -0.9876 3070742 PK04_107092 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E13 compound treatment -0.563 -0.0406 -0.04 -0.565 -0.032 -0.03 -0.402 0.066434169278997 0.065618761482016 -4.0E-4 -0.0048 3188912 PK04_107093 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](C)Cn3cc(CN(C)C2=O)nn3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E14 compound treatment -0.667 -0.145 -0.13 -0.849 -0.316 -0.3 -0.541 -0.072565830721003 -0.0716751633911262 -0.2889 -0.8631 3070746 PK04_107094 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E15 compound treatment -0.733 -0.211 -0.19 -0.887 -0.354 -0.34 -0.673 -0.204565830721003 -0.2020550057167 -0.4188 -0.9629 3188913 PK04_107095 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E16 compound treatment -1.179 -0.657 -0.58 -0.947 -0.414 -0.39 -1.02 -0.551565830721003 -0.544795954860443 -0.8773 -0.9876 3070750 PK04_107096 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E17 mock treatment -0.589 -0.0666 -0.06 -0.782 -0.249 -0.24 -0.472 -0.00356583072100297 -0.00352206399366708 -0.1729 -0.7076 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E18 mock treatment -0.26 0.262 0.23 -0.39 0.143 0.14 -0.698 -0.229565830721003 -0.226748157672301 0.0817 0.2323 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E19 compound treatment -0.552 -0.0296 -0.03 -0.429 0.104 0.1 -0.652 -0.183565830721003 -0.181312758073995 -0.0625 -0.3003 3220747 PK04_107097 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCCC2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E20 compound treatment -1.306 -0.784 -0.69 -1.119 -0.586 -0.56 -1.146 -0.677565830721003 -0.669249440716673 -1.1086 -0.9958 3188915 PK04_107098 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E21 compound treatment -1.444 -0.922 -0.81 -1.418 -0.885 -0.84 -1.385 -0.916565830721003 -0.905315973412219 -1.4798 -0.999 3220749 PK04_107099 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCC(C)C)oc(C(=O)Cc2ccccc2)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E22 compound treatment -1.216 -0.694 -0.61 -1.0 -0.467 -0.44 -1.081 -0.612565830721003 -0.60504724563211 -0.9602 -0.9904 3070803 PK04_107100 CC(C)[Si](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)(C#Cc3ccc(Oc4ccccc4)cc3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E23 compound treatment -0.86 -0.338 -0.3 -0.769 -0.236 -0.22 -0.833 -0.364565830721003 -0.360091178232547 -0.51 -0.9828 3220751 PK04_107101 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2ccc(OC)cc2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 E24 compound treatment -1.176 -0.654 -0.58 -1.081 -0.548 -0.52 -1.106 -0.637565830721003 -0.629740397587711 -0.9986 -0.9971 3070808 PK04_107102 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)c6ccccc6)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F01 mock treatment -0.458 0.0644 0.06 -0.623 -0.09 -0.09 -0.406 0.062434169278997 0.0616678571691198 0.019 0.1586 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F02 mock treatment -0.086 0.436 0.39 -0.49 0.043 0.04 -0.253 0.215434169278997 0.212789947137399 0.3693 0.8345 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F03 compound treatment -2.432 -1.91 -1.69 -1.815 -1.28 -1.22 -2.195 -1.726565830721 -1.7053740967737 -2.6644 -0.9895 3188918 PK04_107103 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F04 compound treatment -1.317 -0.795 -0.7 -1.291 -0.758 -0.72 -1.644 -1.175565830721 -1.16113702767225 -1.4928 -0.9711 3188919 PK04_107104 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F05 compound treatment -1.176 -0.654 -0.58 -1.205 -0.672 -0.64 -1.311 -0.842565830721003 -0.83222424362364 -1.1837 -0.9877 3188920 PK04_107105 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F06 compound treatment -1.146 -0.624 -0.55 -1.037 -0.504 -0.48 -0.92 -0.451565830721003 -0.446023347038039 -0.853 -0.9961 3188921 PK04_107106 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F07 compound treatment -1.982 -1.46 -1.29 -1.258 -0.725 -0.69 -1.348 -0.879565830721003 -0.86877010851793 -1.6453 -0.9667 3070852 PK04_107107 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F08 compound treatment -1.525 -1.0 -0.89 -1.339 -0.806 -0.77 -1.272 -0.803565830721003 -0.793702926572902 -1.4133 -0.9981 3188922 PK04_107108 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F09 mock treatment -0.418 0.104 0.09 -0.707 -0.174 -0.17 -0.565 -0.0965658307210029 -0.0953805892685032 -0.0974 -0.4589 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F10 mock treatment -0.5 0.0224 0.02 -0.859 -0.326 -0.31 -0.056 0.412434169278997 0.407371984547535 0.0674 0.1314 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F11 compound treatment -1.667 -1.14 -1.01 -1.545 -1.01 -0.96 -1.6 -1.131565830721 -1.11767708023039 -1.7861 -0.9981 3189029 PK04_107109 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F12 compound treatment -0.538 -0.0156 -0.01 -0.869 -0.336 -0.32 -0.979 -0.510565830721003 -0.504299185653257 -0.4839 -0.8099 3070859 PK04_107110 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F13 compound treatment -1.112 -0.59 -0.52 -0.577 -0.044 -0.04 -1.06 -0.591565830721003 -0.584304997989405 -0.6625 -0.8448 3189030 PK04_107111 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F14 compound treatment -1.219 -0.697 -0.62 -1.032 -0.499 -0.48 -1.024 -0.555565830721003 -0.548746859173339 -0.9468 -0.9945 3189031 PK04_107112 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F15 compound treatment -1.253 -0.731 -0.65 -1.114 -0.581 -0.55 -1.468 -0.999565830721003 -0.987297237904815 -1.2624 -0.9688 3070862 PK04_107113 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F16 compound treatment -1.108 -0.586 -0.52 -1.136 -0.603 -0.57 -1.441 -0.972565830721003 -0.960628633792766 -1.1851 -0.961 3189032 PK04_107114 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F17 mock treatment -0.476 0.0464 0.04 -0.437 0.096 0.09 -0.459 0.00943416927899698 0.00931837502324545 0.0819 0.8133 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F18 mock treatment -0.583 -0.0606 -0.05 -0.815 -0.282 -0.27 -0.253 0.215434169278997 0.212789947137399 -0.0631 -0.182 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F19 compound treatment -1.464 -0.942 -0.83 -1.206 -0.673 -0.64 -1.151 -0.682565830721003 -0.674188071107793 -1.24 -0.9933 3189033 PK04_107115 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F20 compound treatment -1.8 -1.28 -1.13 -1.655 -1.12 -1.07 -1.41 -0.941565830721003 -0.93000912536782 -1.8061 -0.9968 3070022 PK04_107116 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F21 compound treatment -1.329 -0.807 -0.71 -1.237 -0.704 -0.67 -1.182 -0.713565830721003 -0.704807579532738 -1.2058 -0.9997 3189034 PK04_107117 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F22 compound treatment -1.524 -1.0 -0.89 -1.703 -1.17 -1.11 -1.221 -0.752565830721003 -0.743328896583476 -1.5839 -0.9863 3189035 PK04_107118 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F23 compound treatment -0.904 -0.382 -0.34 -1.121 -0.588 -0.56 -1.072 -0.603565830721003 -0.596157710928094 -0.8623 -0.9746 3070031 PK04_107119 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 F24 compound treatment -0.891 -0.369 -0.33 -1.099 -0.566 -0.54 -1.18 -0.711565830721003 -0.70283212737629 -0.9052 -0.959 3189036 PK04_107120 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G01 compound treatment -1.106 -0.584 -0.52 -1.222 -0.689 -0.66 -1.147 -0.678565830721003 -0.670237166794897 -1.0638 -0.9936 3220772 PK04_107121 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCc2c[nH]c3ccccc23)oc(C(=O)Cc4ccccc4)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G02 compound treatment -0.293 0.229 0.2 -1.106 -0.573 -0.55 -1.0 -0.531565830721003 -0.525041433295962 -0.5011 -0.6392 3070078 PK04_107122 CC[C@@H]1O[Si](C(C)C)(C(C)C)c2c1cc(nc2c3ccc(Oc4ccccc4)cc3)c5cc(C)c(OC)c(C)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G03 mock treatment -0.506 0.0164 0.01 -0.404 0.129 0.12 -0.543 -0.074565830721003 -0.0736506155475743 0.0369 0.2558 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G04 mock treatment -0.314 0.208 0.18 -0.373 0.16 0.15 -0.603 -0.134565830721003 -0.132914180241017 0.1177 0.4301 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G05 compound treatment -0.296 0.226 0.2 -0.295 0.238 0.23 -0.458 0.010434169278997 0.0103061011014695 0.2525 0.8341 3220775 PK04_107123 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2nc[nH]n2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G06 compound treatment -0.838 -0.316 -0.28 -0.83 -0.297 -0.28 -0.308 0.160434169278997 0.158465012835076 -0.2329 -0.5445 3070081 PK04_107124 CC(C)[Si]1(OCc2c1c(nc(c3ccc(o3)c4ccc(Cl)c(Cl)c4)c2C)c5ccccc5)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G07 compound treatment -0.123 0.399 0.35 -0.595 -0.062 -0.06 -0.305 0.163434169278997 0.161428191069748 0.263 0.6697 3189039 PK04_107125 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G08 compound treatment -0.15 0.372 0.33 -1.0 -0.467 -0.44 -0.023 0.445434169278997 0.439966945128929 0.1873 0.2649 3189040 PK04_107126 COc1c(C)cc(cc1C)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G09 compound treatment -0.476 0.0464 0.04 -0.949 -0.416 -0.4 -0.892 -0.423565830721003 -0.418367016847766 -0.4466 -0.7731 3070086 PK04_107127 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(CCCNC(=N)N)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G10 compound treatment -0.885 -0.363 -0.32 -0.866 -0.333 -0.32 -1.0 -0.531565830721003 -0.525041433295962 -0.6713 -0.97 3189041 PK04_107128 COc1ccc(cn1)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G11 compound treatment -0.389 0.133 0.12 -0.875 -0.342 -0.33 -0.73 -0.261565830721003 -0.25835539217547 -0.2691 -0.6227 3070089 PK04_107129 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G12 compound treatment -0.345 0.177 0.16 -0.712 -0.179 -0.17 -0.562 -0.0935658307210031 -0.0924174110338311 -0.0612 -0.2454 3189042 PK04_107130 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G13 compound treatment -0.881 -0.359 -0.32 -0.906 -0.373 -0.36 -1.027 -0.558565830721003 -0.551710037408012 -0.7067 -0.9697 3070134 PK04_107131 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)C3(O)CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G14 compound treatment -1.176 -0.654 -0.58 -0.97 -0.437 -0.42 -0.904 -0.435565830721003 -0.430219729786454 -0.8223 -0.9884 3070137 PK04_107132 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G15 compound treatment -0.421 0.101 0.09 -1.763 -1.23 -1.17 -2.0 -1.531565830721 -1.51276751152001 -1.4981 -0.7821 3189043 PK04_107133 N[C@@H](Cc1ccccc1)Cn2cc(nn2)C3(O)CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G16 compound treatment -1.212 -0.69 -0.61 -1.157 -0.624 -0.59 -1.062 -0.593565830721003 -0.586280450145853 -1.0336 -0.9999 3189044 PK04_107134 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G17 compound treatment -1.5 -0.978 -0.86 -1.162 -0.629 -0.6 -1.103 -0.634565830721003 -0.626777219353039 -1.2068 -0.9857 3070143 PK04_107135 N[C@@H](Cc1ccccc1)Cn2cc(nn2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G18 compound treatment -0.921 -0.399 -0.35 -1.291 -0.758 -0.72 -0.073 0.395434169278997 0.390580641217727 -0.3948 -0.4419 3189045 PK04_107136 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)C4CC4)c5ccccc5)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G19 mock treatment -0.302 0.22 0.19 -0.657 -0.124 -0.12 -0.444 0.024434169278997 0.0241342661966061 0.0583 0.2543 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G20 mock treatment 0.0 0.522 0.46 0.689 1.22 1.16 0.286 0.754434169278997 0.745174303300158 1.369 0.9394 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G21 compound treatment -0.924 -0.402 -0.36 -1.016 -0.483 -0.46 -0.844 -0.375565830721003 -0.370956165093011 -0.6848 -0.9932 3070191 PK04_107137 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(Cc3ccccc3)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G22 compound treatment -1.031 -0.509 -0.45 -1.549 -1.02 -0.97 -1.254 -0.785565830721003 -0.77592385716487 -1.2664 -0.9598 3189046 PK04_107138 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G23 compound treatment -0.694 -0.172 -0.15 -0.983 -0.45 -0.43 -0.848 -0.379565830721003 -0.374907069405908 -0.5515 -0.9358 3070196 PK04_107139 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 G24 compound treatment -0.719 -0.197 -0.17 -0.786 -0.253 -0.24 -0.909 -0.440565830721003 -0.435158360177574 -0.4907 -0.9313 3189047 PK04_107140 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H01 compound treatment 0.382 0.904 0.8 -0.629 -0.096 -0.09 -0.632 -0.163565830721003 -0.161558236509514 0.3156 0.3845 3189157 PK04_107141 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H02 compound treatment -0.807 -0.285 -0.25 -0.235 0.298 0.28 -1.038 -0.569565830721003 -0.562575024268476 -0.3061 -0.4512 3189158 PK04_107142 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H03 mock treatment -0.465 0.0574 0.05 -0.618 -0.085 -0.08 -0.517 -0.048565830721003 -0.0479697375137491 -0.0451 -0.4218 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H04 mock treatment -0.392 0.13 0.12 -0.452 0.081 0.08 0.177 0.645434169278997 0.637512160773738 0.4792 0.7345 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H05 compound treatment -0.824 -0.302 -0.27 0.294 0.827 0.79 -0.75 -0.281565830721003 -0.278109913739951 0.1404 0.1601 3070201 PK04_107143 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H06 compound treatment -0.846 -0.324 -0.29 -1.076 -0.543 -0.52 -0.871 -0.402565830721003 -0.397624769205061 -0.6934 -0.9733 3189159 PK04_107144 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H07 compound treatment -0.905 -0.383 -0.34 -0.81 -0.277 -0.26 -0.859 -0.390565830721003 -0.385772056266372 -0.5703 -0.9886 3071172 PK04_107145 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H08 compound treatment -1.412 -0.89 -0.79 -0.619 -0.086 -0.08 -0.513 -0.044565830721003 -0.0440188332008529 -0.5267 -0.6651 3071173 PK04_107146 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H09 compound treatment -0.77 -0.248 -0.22 -1.184 -0.651 -0.62 -0.753 -0.284565830721003 -0.281073091974623 -0.6467 -0.9042 3071174 PK04_107147 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H10 compound treatment -1.103 -0.581 -0.51 -1.419 -0.886 -0.84 -1.153 -0.684565830721003 -0.676163523264241 -1.174 -0.9807 3189160 PK04_107148 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H11 compound treatment -1.0 -0.478 -0.42 -1.125 -0.592 -0.56 -0.099 0.369434169278997 0.364899763183901 -0.3587 -0.4521 3189161 PK04_107149 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H12 compound treatment -1.224 -0.702 -0.62 -0.835 -0.302 -0.29 -0.101 0.367434169278997 0.362924311027453 -0.3146 -0.4065 3071175 PK04_107150 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H13 compound treatment -0.5 0.0224 0.02 -0.667 -0.134 -0.13 -0.683 -0.214565830721003 -0.21193226649894 -0.1846 -0.7437 3189162 PK04_107151 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H14 compound treatment -0.694 -0.172 -0.15 -0.788 -0.255 -0.24 -0.844 -0.375565830721003 -0.370956165093011 -0.442 -0.9431 3189163 PK04_107152 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H15 compound treatment -0.58 -0.0576 -0.05 -0.938 -0.405 -0.39 -0.789 -0.320565830721003 -0.316631230790689 -0.4349 -0.8669 3071176 PK04_107153 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H16 compound treatment -0.571 -0.0486 -0.04 -0.675 -0.142 -0.14 -0.635 -0.166565830721003 -0.164521414744186 -0.1978 -0.9107 3189164 PK04_107154 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H17 compound treatment -0.756 -0.234 -0.21 -0.987 -0.454 -0.43 -0.977 -0.508565830721003 -0.502323733496809 -0.6589 -0.9491 3189165 PK04_107155 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H18 compound treatment -0.486 0.0364 0.03 -0.64 -0.107 -0.1 -0.326 0.142434169278997 0.140685943427043 0.041 0.2321 3071177 PK04_107156 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H19 mock treatment -0.397 0.125 0.11 -0.397 0.136 0.13 -0.336 0.132434169278997 0.130808682644803 0.2144 0.9973 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H20 mock treatment -0.573 -0.0506 -0.04 -0.674 -0.141 -0.13 -0.387 0.081434169278997 0.0804346526553766 -0.0569 -0.3495 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H21 compound treatment -0.676 -0.154 -0.14 -0.975 -0.442 -0.42 -0.891 -0.422565830721003 -0.417379290769542 -0.5624 -0.9248 3189166 PK04_107157 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H22 compound treatment -0.809 -0.287 -0.25 0.717 1.25 1.19 -0.898 -0.429565830721003 -0.42429337331711 0.2963 0.2298 3189167 PK04_107158 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H23 compound treatment -1.458 -0.936 -0.83 -1.45 -0.917 -0.87 -1.34 -0.871565830721003 -0.860868299892137 -1.4789 -0.9997 3071178 PK04_107159 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 H24 compound treatment -0.489 0.0334 0.03 -0.757 -0.224 -0.21 -1.213 -0.744565830721003 -0.735427087957684 -0.5307 -0.6925 3189168 PK04_107160 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I01 compound treatment -0.667 -0.145 -0.13 -0.19 0.343 0.33 -0.931 -0.462565830721003 -0.456888333898503 -0.1489 -0.2584 3071179 PK04_107161 CC(C)[C@@H](C(=O)O)n1cc(nn1)C2(O)CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I02 compound treatment -1.157 -0.635 -0.56 -1.014 -0.481 -0.46 -1.055 -0.586565830721003 -0.579366367598285 -0.9229 -0.995 3189169 PK04_107162 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I03 compound treatment -0.855 -0.333 -0.29 -0.896 -0.363 -0.35 -0.375 0.093434169278997 0.0922873655940652 -0.3161 -0.6825 3071180 PK04_107163 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccn3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I04 compound treatment -1.631 -1.11 -0.98 -1.182 -0.649 -0.62 -0.943 -0.474565830721003 -0.468741046837192 -1.1934 -0.9547 3189170 PK04_107164 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I05 mock treatment -0.411 0.111 0.1 -0.718 -0.185 -0.18 -0.536 -0.067565830721003 -0.066736533000006 -0.0834 -0.3921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I06 mock treatment -0.738 -0.216 -0.19 -0.329 0.204 0.19 -0.455 0.013434169278997 0.0132692793361416 0.0099 0.0362 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I07 compound treatment -0.254 0.268 0.24 -0.641 -0.108 -0.1 -0.679 -0.210565830721003 -0.207981362186044 -0.0424 -0.1278 3071181 PK04_107165 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@]4(O[C@@]23[C@H]5[C@@H]4C(=O)N(C)C5=O)C(=O)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I08 compound treatment -0.279 0.243 0.22 -0.507 0.026 0.02 -0.622 -0.153565830721003 -0.151680975727274 0.051 0.1929 3189171 PK04_107166 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I09 compound treatment -1.0 -0.478 -0.42 -0.866 -0.333 -0.32 -0.98 -0.511565830721003 -0.505286911731481 -0.7186 -0.9832 3189172 PK04_107167 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@@]4(O[C@]23[C@@H]5[C@H]4C(=O)N(C)C5=O)C(=O)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I10 compound treatment -0.5 0.0224 0.02 -0.439 0.094 0.09 -0.317 0.151434169278997 0.14957547813106 0.1495 0.8522 3071182 PK04_107168 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I11 compound treatment -0.25 0.272 0.24 -0.403 0.13 0.12 -0.18 0.288434169278997 0.284893950847754 0.3751 0.9541 3189173 PK04_107169 NC(=N)NCc1cn(CCc2c[nH]c3ccccc23)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I12 compound treatment -1.906 -1.38 -1.22 -1.403 -0.87 -0.83 -1.652 -1.183565830721 -1.16903883629804 -1.8596 -0.987 3189286 PK04_107170 CC(C)[Si]1(O[C@H](c2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I13 compound treatment -1.222 -0.7 -0.62 -0.566 -0.033 -0.03 -0.756 -0.287565830721003 -0.284036270209296 -0.5392 -0.7914 3071183 PK04_107171 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@H](Cc4ccccc4)C(=O)N23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I14 compound treatment -0.932 -0.41 -0.36 -0.708 -0.175 -0.17 -0.944 -0.475565830721003 -0.469728772915416 -0.5765 -0.9357 3189287 PK04_107172 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I15 compound treatment -0.222 0.3 0.27 -0.1 0.433 0.41 -0.189 0.279434169278997 0.276004416143737 0.5509 0.9786 3071184 PK04_107173 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@@H](Cc4ccccc4)C(=O)N23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I16 compound treatment -1.176 -0.654 -0.58 -1.169 -0.636 -0.61 -1.019 -0.550565830721003 -0.543808228782219 -0.9973 -0.999 3189288 PK04_107174 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I17 compound treatment 0.679 1.2 1.06 0.519 1.05 1.0 -0.279 0.189434169278997 0.187109069103573 1.2999 0.8829 3071185 PK04_107175 COc1ccc(cc1)[C@H]2OC[C@@H]3CC4(CC=CC4)C(=O)N23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I18 compound treatment -1.197 -0.675 -0.6 -1.152 -0.619 -0.59 -1.122 -0.653565830721003 -0.645544014839296 -1.0575 -0.9992 3189289 PK04_107176 COc1cc(Cc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I19 compound treatment -0.5 0.0224 0.02 -0.286 0.247 0.24 -0.527 -0.058565830721003 -0.0578469982959896 0.1139 0.4686 3071186 PK04_107177 COc1ccc(cc1)[C@H]2OC[C@@H]3CCC(=O)N23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I20 compound treatment -1.079 -0.557 -0.49 -1.077 -0.544 -0.52 -0.833 -0.364565830721003 -0.360091178232547 -0.7912 -0.9887 3189171 PK04_107178 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I21 mock treatment -0.667 -0.145 -0.13 -0.623 -0.09 -0.09 -0.481 -0.012565830721003 -0.0124115986976835 -0.1304 -0.8449 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I22 mock treatment -0.491 0.0314 0.03 -0.333 0.2 0.19 -0.152 0.316434169278997 0.312550281038027 0.3065 0.835 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I23 compound treatment -0.273 0.249 0.22 -0.194 0.339 0.32 0.145 0.613434169278997 0.605904926270568 0.6636 0.9202 3189290 PK04_107179 COc1ccc(cc1)[C@H]2OC[C@@H]3CC(CC=C)(CC=C)C(=O)N23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 I24 compound treatment -1.2 -0.678 -0.6 -0.822 -0.289 -0.28 -1.03 -0.561565830721003 -0.554673215642684 -0.825 -0.9576 3071182 PK04_107180 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J01 compound treatment -2.539 -2.02 -1.78 -0.251 0.282 0.27 -1.897 -1.428565830721 -1.41103172546293 -1.6888 -0.7377 3189291 PK04_107181 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J02 compound treatment -1.126 -0.604 -0.53 -0.956 -0.423 -0.4 -1.024 -0.555565830721003 -0.548746859173339 -0.8575 -0.9914 3071187 PK04_107182 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J03 compound treatment -2.244 -1.72 -1.52 -1.807 -1.27 -1.21 -2.321 -1.852565830721 -1.82982758262992 -2.6359 -0.9866 3189292 PK04_107183 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J04 compound treatment -0.959 -0.437 -0.39 -0.407 0.126 0.12 -1.0 -0.531565830721003 -0.525041433295962 -0.4566 -0.6892 3189293 PK04_107184 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J05 mock treatment -0.417 0.105 0.09 -0.32 0.213 0.2 -0.65 -0.181565830721003 -0.179337305917547 0.0675 0.2355 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J06 mock treatment -0.792 -0.27 -0.24 -0.769 -0.236 -0.22 -0.345 0.123434169278997 0.121919147940787 -0.197 -0.5635 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J07 compound treatment -2.322 -1.8 -1.59 -1.754 -1.22 -1.16 -0.992 -0.523565830721003 -0.51713962467017 -1.8887 -0.9269 3071188 PK04_107185 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J08 compound treatment -1.459 -0.937 -0.83 -1.69 -1.16 -1.1 -1.169 -0.700565830721003 -0.691967140515826 -1.5139 -0.9815 3189294 PK04_107186 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J09 compound treatment -2.014 -1.49 -1.32 -1.416 -0.883 -0.84 -1.553 -1.084565830721 -1.07125395455386 -1.8655 -0.984 3189295 PK04_107187 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J10 compound treatment -1.185 -0.663 -0.59 -1.141 -0.608 -0.58 -0.833 -0.364565830721003 -0.360091178232547 -0.8805 -0.9794 3071189 PK04_107188 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J11 compound treatment -1.654 -1.13 -1.0 -1.541 -1.01 -0.96 -1.549 -1.080565830721 -1.06730305024096 -1.7482 -0.999 3189296 PK04_107189 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J12 compound treatment -0.478 0.0444 0.04 -0.714 -0.181 -0.17 -0.571 -0.102565830721003 -0.101306945737847 -0.1353 -0.6641 3189297 PK04_107190 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J13 compound treatment -1.547 -1.02 -0.91 -1.4 -0.867 -0.83 -1.297 -0.828565830721003 -0.818396078528503 -1.4723 -0.9989 3071190 PK04_107191 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J14 compound treatment -0.957 -0.435 -0.38 -0.935 -0.402 -0.38 -0.728 -0.259565830721003 -0.256379940019022 -0.5909 -0.9849 3189298 PK04_107192 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J15 compound treatment -1.487 -0.965 -0.85 -0.929 -0.396 -0.38 -1.432 -0.963565830721003 -0.951739099088749 -1.2596 -0.9454 3071191 PK04_107193 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J16 compound treatment -1.012 -0.49 -0.43 -0.728 -0.195 -0.19 -1.03 -0.561565830721003 -0.554673215642684 -0.6774 -0.9309 3189299 PK04_107194 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J17 compound treatment -1.207 -0.685 -0.61 -0.818 -0.285 -0.27 -0.976 -0.507565830721003 -0.501336007418585 -0.7956 -0.9569 3189300 PK04_107195 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J18 compound treatment -0.98 -0.458 -0.4 -0.815 -0.282 -0.27 -1.0 -0.531565830721003 -0.525041433295962 -0.6918 -0.9673 3071192 PK04_107196 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J19 compound treatment -1.102 -0.58 -0.51 -1.0 -0.467 -0.44 -0.563 -0.0945658307210029 -0.0934051371120551 -0.6066 -0.8856 3189301 PK04_107197 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J20 compound treatment -1.075 -0.553 -0.49 -1.294 -0.761 -0.72 -1.0 -0.531565830721003 -0.525041433295962 -1.0037 -0.9843 3189302 PK04_107198 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J21 mock treatment -0.653 -0.131 -0.12 -0.635 -0.102 -0.1 -0.506 -0.037565830721003 -0.0371047506532846 -0.1441 -0.9278 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J22 mock treatment -0.411 0.111 0.1 -0.762 -0.229 -0.22 -0.579 -0.110565830721003 -0.10920875436364 -0.1321 -0.5021 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J23 compound treatment -0.812 -0.29 -0.26 -1.048 -0.515 -0.49 -0.926 -0.457565830721003 -0.451949703507383 -0.692 -0.9685 3071251 PK04_107199 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 J24 compound treatment -0.882 -0.36 -0.32 -1.24 -0.707 -0.67 -1.273 -0.804565830721003 -0.794690652651126 -1.0312 -0.9468 3189414 PK04_107200 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K01 compound treatment -1.107 -0.585 -0.52 -0.973 -0.44 -0.42 -0.829 -0.360565830721003 -0.356140273919651 -0.746 -0.9884 3071252 PK04_107201 COc1cccc(C[C@H]2C[C@@H](CO)NC2=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K02 compound treatment -0.657 -0.135 -0.12 -0.392 0.141 0.13 -0.341 0.127434169278997 0.125870052253683 0.0816 0.3721 3189415 PK04_107202 CCCCCCC#C[Si](O[C@@H](C#C)c1ccccc1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K03 compound treatment -0.18 0.342 0.3 -1.356 -0.823 -0.78 -1.613 -1.144565830721 -1.1305175192473 -0.9305 -0.6606 3071253 PK04_107203 COC(=O)c1c(CC[C@@H](CO)NC(=O)N(C)Cc2ccccc2)oc(C(=O)OCC=C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K04 compound treatment -2.105 -1.58 -1.4 -2.247 -1.71 -1.63 -2.516 -2.047565830721 -2.02243416788361 -2.9181 -0.9886 3189416 PK04_107204 CCCCCCC#C[Si](OCC#CC)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K05 compound treatment -0.31 0.212 0.19 -0.104 0.429 0.41 -0.082 0.386434169278997 0.38169110651371 0.5648 0.9574 3189417 PK04_107205 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(COC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K06 compound treatment -1.224 -0.702 -0.62 -1.386 -0.853 -0.81 -0.063 0.405434169278997 0.400457901999967 -0.596 -0.5429 3071254 PK04_107206 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccccc2)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K07 mock treatment -0.42 0.102 0.09 0.901 1.43 1.37 0.017 0.485434169278997 0.479475988257891 1.1179 0.7706 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K08 mock treatment 0.238 0.76 0.67 0.272 0.805 0.77 0.256 0.724434169278997 0.715542520953437 1.2441 0.9986 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K09 compound treatment -0.514 0.00845 0.01 -0.766 -0.233 -0.22 -0.679 -0.210565830721003 -0.207981362186044 -0.2439 -0.8017 3071255 PK04_107207 NC(=N)NCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K10 compound treatment -1.103 -0.581 -0.51 -1.567 -1.03 -0.98 -1.389 -0.920565830721003 -0.909266877725116 -1.39 -0.9684 3189418 PK04_107208 CC#CCO[Si](C#Cc1ccccc1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K11 compound treatment -0.779 -0.257 -0.23 -0.742 -0.209 -0.2 -0.71 -0.241565830721003 -0.23860087061099 -0.3836 -0.9972 3189419 PK04_107209 OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K12 compound treatment -0.259 0.263 0.23 -0.6 -0.067 -0.06 -0.776 -0.307565830721003 -0.303790791773777 -0.0777 -0.2003 3071256 PK04_107210 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccc(Oc3ccccc3)cc2)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K13 compound treatment -0.232 0.29 0.26 -1.13 -0.597 -0.57 -1.04 -0.571565830721003 -0.564550476424924 -0.506 -0.6014 3189420 PK04_107211 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@](Cc4ccccc4)(C(=O)OCC=C)C(=O)N23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K14 compound treatment -0.831 -0.309 -0.27 -0.587 -0.054 -0.05 -0.697 -0.228565830721003 -0.225760431594077 -0.3175 -0.8874 3071257 PK04_107212 CC[C@@H](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)C#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K15 mock treatment -0.5 0.0224 0.02 -0.555 -0.022 -0.02 -0.714 -0.245565830721003 -0.242551774923886 -0.1407 -0.5758 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K16 mock treatment -0.091 0.431 0.38 -0.16 0.373 0.36 -0.424 0.044434169278997 0.043888787761087 0.4507 0.8615 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K17 compound treatment -0.419 0.103 0.09 -0.133 0.4 0.38 -0.225 0.243434169278997 0.240446277327672 0.4117 0.8953 1035256 PK04_107213 C#CCNCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K18 compound treatment -0.492 0.0304 0.03 -0.556 -0.023 -0.02 -0.071 0.397434169278997 0.392556093374175 0.2296 0.5825 3189421 PK04_107214 CC(C)[Si](Oc1ccccc1Br)(C#CCCCC#N)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K19 compound treatment 0.141 0.663 0.59 -0.246 0.287 0.27 -0.298 0.170434169278997 0.168342273617317 0.5937 0.8879 3071258 PK04_107215 CC(C)[C@H](N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K20 compound treatment -0.544 -0.0216 -0.02 -0.914 -0.381 -0.36 -0.296 0.172434169278997 0.170317725773765 -0.1222 -0.3045 3189422 PK04_107216 CC[C@@H](O[Si](C#CCCCC#N)(C(C)C)C(C)C)C#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K21 compound treatment 0.145 0.667 0.59 -1.05 -0.517 -0.49 -0.609 -0.140565830721003 -0.138840536710361 -0.0238 -0.0305 3189423 PK04_107217 [N-]=[N+]=NC[C@H](Cc1ccccc1)NC(=O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K22 compound treatment -0.137 0.385 0.34 -0.207 0.326 0.31 -0.259 0.209434169278997 0.206863590668054 0.4955 0.9805 3071259 PK04_107218 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#Cc4ccccc4)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K23 mock treatment 0.0 0.522 0.46 -0.29 0.243 0.23 -0.357 0.111434169278997 0.110066435002098 0.4639 0.8781 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 K24 mock treatment -0.267 0.255 0.23 -0.434 0.099 0.09 -0.356 0.112434169278997 0.111054161080322 0.249 0.9264 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L01 compound treatment -0.491 0.0314 0.03 -0.03 0.503 0.48 -0.167 0.301434169278997 0.297734389864666 0.4646 0.8225 3189424 PK04_107219 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L02 compound treatment -0.184 0.338 0.3 -0.544 -0.011 -0.01 -0.323 0.145434169278997 0.143649121661715 0.2497 0.7518 3189425 PK04_107220 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L03 compound treatment -0.878 -0.356 -0.31 -0.606 -0.073 -0.07 -1.0 -0.531565830721003 -0.525041433295962 -0.5247 -0.852 3071260 PK04_107221 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L04 compound treatment -0.734 -0.212 -0.19 -0.312 0.221 0.21 -0.562 -0.0935658307210031 -0.0924174110338311 -0.0398 -0.1341 3189426 PK04_107222 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L05 compound treatment -0.778 -0.256 -0.23 -0.792 -0.259 -0.25 -1.0 -0.531565830721003 -0.525041433295962 -0.576 -0.9252 3189427 PK04_107223 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L06 compound treatment -0.164 0.358 0.32 -0.946 -0.413 -0.39 -0.549 -0.080565830721003 -0.0795769720169185 -0.0901 -0.1762 3071261 PK04_107224 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L07 mock treatment 0.0 0.522 0.46 -0.424 0.109 0.1 0.189 0.657434169278997 0.649364873712426 0.7016 0.873 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L08 mock treatment -0.163 0.359 0.32 -0.404 0.129 0.12 -0.371 0.097434169278997 0.0962382699069614 0.31 0.8756 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L09 compound treatment -0.588 -0.0656 -0.06 -1.191 -0.658 -0.63 -0.606 -0.137565830721003 -0.135877358475689 -0.4738 -0.7357 3189428 PK04_107225 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L10 compound treatment -0.974 -0.452 -0.4 -0.593 -0.06 -0.06 -1.028 -0.559565830721003 -0.552697763486236 -0.5826 -0.8515 3189429 PK04_107226 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L11 compound treatment -1.419 -0.897 -0.79 -1.328 -0.795 -0.76 1.207 1.675434169279 1.5058299091415 -0.0255 -0.0137 3071262 PK04_107227 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L12 compound treatment -1.092 -0.57 -0.5 -0.721 -0.188 -0.18 -2.091 -1.622565830721 -1.60265058463839 -1.3194 -0.781 3189430 PK04_107228 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L13 compound treatment -0.481 0.0414 0.04 -0.283 0.25 0.24 -0.623 -0.154565830721003 -0.152668701805498 0.0705 0.2473 3189431 PK04_107229 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L14 compound treatment -0.579 -0.0566 -0.05 -0.712 -0.179 -0.17 -0.671 -0.202565830721003 -0.200079553560252 -0.2428 -0.9075 3071263 PK04_107230 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L15 mock treatment -0.456 0.0664 0.06 -0.542 -0.00895 -0.01 -0.12 0.348434169278997 0.344157515541196 0.2277 0.652 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L16 mock treatment -0.392 0.13 0.12 -0.292 0.241 0.23 -0.041 0.427434169278997 0.422187875720896 0.4429 0.8961 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L17 compound treatment -0.336 0.186 0.16 -1.073 -0.54 -0.51 -0.75 -0.281565830721003 -0.278109913739951 -0.3624 -0.5965 3189432 PK04_107231 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L18 compound treatment -0.593 -0.0706 -0.06 -0.778 -0.245 -0.23 -0.591 -0.122565830721003 -0.121061467302328 -0.2406 -0.8906 3189547 PK04_107232 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L19 compound treatment -1.118 -0.596 -0.53 -1.526 -0.993 -0.95 -0.774 -0.305565830721003 -0.301815339617328 -1.0244 -0.9115 3071264 PK04_107233 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L20 compound treatment -0.584 -0.0616 -0.05 -0.761 -0.228 -0.22 -0.68 -0.211565830721003 -0.208969088264268 -0.2774 -0.9059 3189548 PK04_107234 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L21 compound treatment -0.373 0.149 0.13 -0.803 -0.27 -0.26 -0.277 0.191434169278997 0.189084521260021 0.037 0.107 3189549 PK04_107235 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L22 compound treatment -0.382 0.14 0.12 -0.778 -0.245 -0.23 -0.612 -0.143565830721003 -0.141803714945033 -0.1449 -0.4831 3071265 PK04_107236 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L23 mock treatment -0.636 -0.114 -0.1 -0.661 -0.128 -0.12 -0.441 0.027434169278997 0.0270974444312783 -0.1127 -0.7034 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 L24 mock treatment 0.386 0.908 0.8 -0.608 -0.075 -0.07 -0.841 -0.372565830721003 -0.367992986858339 0.21 0.237 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M01 compound treatment -0.824 -0.302 -0.27 -0.88 -0.347 -0.33 -0.964 -0.495565830721003 -0.489483294479897 -0.6274 -0.9681 3189550 PK04_107237 COc1cccc(C[C@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M02 compound treatment -0.103 0.419 0.37 -0.09 0.443 0.42 -0.338 0.130434169278997 0.128833230488355 0.5322 0.9232 3071266 PK04_107238 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCc4ccccc4)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M03 compound treatment -0.873 -0.351 -0.31 -0.683 -0.15 -0.14 -0.564 -0.0955658307210029 -0.0943928631902791 -0.3159 -0.8922 3189551 PK04_107239 COc1cccc(C[C@@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M04 compound treatment -0.25 0.272 0.24 -0.486 0.047 0.04 -0.26 0.208434169278997 0.20587586458983 0.2838 0.8868 3189552 PK04_107240 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M05 compound treatment -0.617 -0.0946 -0.08 -0.786 -0.253 -0.24 -0.328 0.140434169278997 0.138710491270595 -0.1073 -0.3696 3071267 PK04_107241 CN(C)S(=O)(=O)NCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M06 compound treatment -1.078 -0.556 -0.49 -0.887 -0.354 -0.34 -1.075 -0.606565830721003 -0.599120889162766 -0.8242 -0.9754 3189553 PK04_107242 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M07 compound treatment 0.673 1.2 1.06 -1.017 -0.484 -0.46 -1.116 -0.647565830721003 -0.639617658369952 -0.0253 -0.0192 3414058 PK04_107243 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M08 compound treatment -0.318 0.204 0.18 -0.344 0.189 0.18 -0.16 0.308434169278997 0.304648472412235 0.3842 0.9669 3189554 PK04_107244 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(Cc2cccc(Cl)c2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M09 mock treatment -0.2 0.322 0.29 -0.319 0.214 0.2 -0.246 0.222434169278997 0.219704029684967 0.4092 0.9891 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M10 mock treatment -0.293 0.229 0.2 -0.258 0.275 0.26 -0.404 0.064434169278997 0.0636433093255679 0.3051 0.9043 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M11 compound treatment -0.224 0.298 0.26 -1.042 -0.509 -0.48 -1.032 -0.563565830721003 -0.556648667799132 -0.449 -0.5727 3189555 PK04_107245 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M12 compound treatment -0.431 0.0914 0.08 -0.452 0.081 0.08 -0.571 -0.102565830721003 -0.101306945737847 0.0328 0.2172 3071269 PK04_107246 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M13 mock treatment -0.3 0.222 0.2 -0.2 0.333 0.32 -0.368 0.100434169278997 0.0992014481416335 0.354 0.9165 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M14 mock treatment -0.722 -0.2 -0.18 -0.422 0.111 0.11 -0.247 0.221434169278997 0.218716303606743 0.0855 0.2847 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M15 compound treatment -0.325 0.197 0.17 -0.468 0.065 0.06 -1.071 -0.602565830721003 -0.595169984849869 -0.2071 -0.3322 3189556 PK04_107247 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M16 compound treatment -0.634 -0.112 -0.1 -0.647 -0.114 -0.11 -0.735 -0.266565830721003 -0.263294022566591 -0.2716 -0.9013 3189557 PK04_107248 CCCC#C[Si](O[C@H](CC)c1cn(Cc2ccccc2)nn1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M17 compound treatment -0.81 -0.288 -0.25 -1.014 -0.481 -0.46 -1.067 -0.598565830721003 -0.591219080536973 -0.7526 -0.9527 3189558 PK04_107249 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M18 compound treatment -0.823 -0.301 -0.27 -0.79 -0.257 -0.24 -0.875 -0.406565830721003 -0.401575673517957 -0.5266 -0.9748 3071329 PK04_107250 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M19 compound treatment -0.534 -0.0116 -0.01 -1.127 -0.594 -0.57 -0.889 -0.420565830721003 -0.415403838613093 -0.5724 -0.8154 3189559 PK04_107251 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H]5CCCN5C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M20 compound treatment -0.409 0.113 0.1 -0.603 -0.07 -0.07 -0.46 0.00843416927899698 0.0083306489450214 0.0242 0.2008 3071330 PK04_107252 CCCC#C[Si](O[C@H](CC)c1cn(Cc2cccc(Cl)c2)nn1)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M21 compound treatment -1.214 -0.692 -0.61 -0.986 -0.453 -0.43 -1.019 -0.550565830721003 -0.543808228782219 -0.9161 -0.9903 3189560 PK04_107253 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H]5CCCN5C2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M22 compound treatment -0.68 -0.158 -0.14 -0.75 -0.217 -0.21 -0.623 -0.154565830721003 -0.152668701805498 -0.2879 -0.985 3071331 PK04_107254 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](C)c2ccccc2)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M23 compound treatment -0.775 -0.253 -0.22 -1.0 -0.467 -0.44 -1.233 -0.764565830721003 -0.755181609522165 -0.8217 -0.9086 3189561 PK04_107255 CN1Cc2cn(C[C@H](Cc3ccccc3)NC(=O)c4cc(c(CC[C@@H](CO)NC1=O)o4)S(=O)(=O)c5ccc(C)cc5)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 M24 compound treatment -0.462 0.0604 0.05 -0.441 0.092 0.09 -0.547 -0.078565830721003 -0.0776015198604705 0.0367 0.285 3071332 PK04_107256 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N01 compound treatment -1.407 -0.885 -0.78 -1.352 -0.819 -0.78 -1.315 -0.846565830721003 -0.836175147936536 -1.3847 -0.9995 3189562 PK04_107257 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N02 compound treatment -0.739 -0.217 -0.19 -0.376 0.157 0.15 -0.852 -0.383565830721003 -0.378857973718804 -0.2429 -0.5397 3189563 PK04_107258 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N03 compound treatment -1.929 -1.41 -1.24 -1.593 -1.06 -1.01 -2.06 -1.591565830721 -1.57203107621345 -2.2086 -0.984 3071333 PK04_107259 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N04 compound treatment -0.779 -0.257 -0.23 -0.624 -0.091 -0.09 -0.757 -0.288565830721003 -0.28502399628752 -0.3455 -0.9229 3189564 PK04_107260 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N05 compound treatment -1.852 -1.33 -1.18 -1.101 -0.568 -0.54 -0.927 -0.458565830721003 -0.452937429585607 -1.2525 -0.9136 3189681 PK04_107261 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N06 compound treatment -0.86 -0.338 -0.3 -1.0 -0.467 -0.44 -0.982 -0.513565830721003 -0.50726236388793 -0.722 -0.9787 3071334 PK04_107262 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N07 compound treatment -2.017 -1.49 -1.32 -1.556 -1.02 -0.97 -0.263 0.205434169278997 0.202912686355158 -1.2084 -0.7304 3189682 PK04_107263 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N08 compound treatment -0.549 -0.0266 -0.02 0.566 1.1 1.05 -0.143 0.325434169278997 0.321439815742043 0.7765 0.7088 3071335 PK04_107264 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N09 mock treatment -0.233 0.289 0.26 -0.506 0.027 0.03 -0.385 0.083434169278997 0.0824101048118247 0.2102 0.7783 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N10 mock treatment -0.773 -0.251 -0.22 -0.656 -0.123 -0.12 -0.357 0.111434169278997 0.110066435002098 -0.132 -0.4822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N11 compound treatment -1.265 -0.743 -0.66 -0.984 -0.451 -0.43 -1.101 -0.632565830721003 -0.624801767196591 -0.9878 -0.9849 3189683 PK04_107265 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N12 compound treatment -0.44 0.0824 0.07 -0.817 -0.284 -0.27 -0.769 -0.300565830721003 -0.296876709226208 -0.2855 -0.6994 3189684 PK04_107266 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N13 mock treatment -0.045 0.477 0.42 -0.639 -0.106 -0.1 -0.387 0.081434169278997 0.0804346526553766 0.2319 0.5253 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N14 mock treatment -0.379 0.143 0.13 -0.453 0.08 0.08 -0.416 0.052434169278997 0.0517905963868794 0.1471 0.9385 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N15 compound treatment -1.702 -1.18 -1.04 -1.547 -1.01 -0.97 -1.973 -1.504565830721 -1.48609890740796 -2.0178 -0.9812 3071336 PK04_107267 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N16 compound treatment -0.729 -0.207 -0.18 -0.551 -0.018 -0.02 -0.642 -0.173565830721003 -0.171435497291755 -0.2143 -0.8535 3189685 PK04_107268 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N17 compound treatment -0.656 -0.134 -0.12 -0.295 0.238 0.23 -0.367 0.101434169278997 0.100189174219858 0.1206 0.4392 3189686 PK04_107269 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N18 compound treatment -0.98 -0.458 -0.4 -0.911 -0.378 -0.36 -0.914 -0.445565830721003 -0.440096990568695 -0.6955 -0.9967 3071337 PK04_107270 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N19 compound treatment -0.806 -0.284 -0.25 -0.757 -0.224 -0.21 -1.081 -0.612565830721003 -0.60504724563211 -0.6172 -0.8961 3189687 PK04_107271 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N20 compound treatment -0.229 0.293 0.26 -0.81 -0.277 -0.26 -0.437 0.031434169278997 0.0310483487441744 0.0154 0.0414 3189688 PK04_107272 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N21 compound treatment 0.104 0.626 0.55 -0.648 -0.115 -0.11 -0.805 -0.336565830721003 -0.332434848042274 0.0646 0.0986 3071339 PK04_107273 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N22 compound treatment -0.789 -0.267 -0.24 -0.955 -0.422 -0.4 -1.05 -0.581565830721003 -0.574427737207165 -0.6998 -0.9461 3189689 PK04_107274 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N23 compound treatment -0.885 -0.363 -0.32 -0.95 -0.417 -0.4 -0.959 -0.490565830721003 -0.484544664088777 -0.6941 -0.9863 3189690 PK04_107275 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 N24 compound treatment -0.435 0.0874 0.08 -1.095 -0.562 -0.54 -0.821 -0.352565830721003 -0.348238465293858 -0.4655 -0.7236 3071341 PK04_107276 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O01 compound treatment 0.483 1.01 0.89 -1.115 -0.582 -0.55 -0.838 -0.369565830721003 -0.365029808623667 -0.0176 -0.0159 3414059 PK04_107277 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(Cc5ccccc5)C2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O02 compound treatment -1.519 -0.997 -0.88 -0.866 -0.333 -0.32 -0.987 -0.518565830721003 -0.51220099427905 -0.9875 -0.9252 3189692 PK04_107278 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O03 compound treatment -1.101 -0.579 -0.51 -1.009 -0.476 -0.45 -1.261 -0.792565830721003 -0.782837939712438 -1.0091 -0.971 3414060 PK04_107279 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(nn4)C5(CCCCC5)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O04 compound treatment -0.549 -0.0266 -0.02 -0.533 4.82E-5 0.0 -0.912 -0.443565830721003 -0.438121538412247 -0.2665 -0.6074 3189693 PK04_107280 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O05 compound treatment -1.076 -0.554 -0.49 -0.587 -0.054 -0.05 -0.671 -0.202565830721003 -0.200079553560252 -0.4277 -0.8052 3071393 PK04_107281 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cnnn3C[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O06 compound treatment -0.243 0.279 0.25 -0.282 0.251 0.24 0.167 0.635434169278997 0.627634899991497 0.6431 0.8986 3189694 PK04_107282 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O07 compound treatment -1.075 -0.553 -0.49 -1.088 -0.555 -0.53 0.28 0.748434169278997 0.739247946830814 -0.1605 -0.1555 3189695 PK04_107283 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O08 compound treatment 1.068 1.59 1.36 -0.431 0.102 0.1 0.031 0.499434169278997 0.493304153353027 1.1271 0.7765 3071395 PK04_107284 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O09 compound treatment -0.683 -0.161 -0.14 -0.818 -0.285 -0.27 -0.632 -0.163565830721003 -0.161558236509514 -0.332 -0.9585 3189696 PK04_107285 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O10 compound treatment -0.396 0.126 0.11 -0.604 -0.071 -0.07 -0.733 -0.264565830721003 -0.261318570410143 -0.1254 -0.4291 3189697 PK04_107286 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O11 mock treatment -0.118 0.404 0.36 -0.127 0.406 0.39 -0.246 0.222434169278997 0.219704029684967 0.5566 0.9752 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O12 mock treatment -0.075 0.447 0.4 -0.036 0.497 0.47 -0.192 0.276434169278997 0.273041237909065 0.6594 0.9773 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O13 compound treatment -0.93 -0.408 -0.36 -1.009 -0.476 -0.45 -1.014 -0.545565830721003 -0.538869598391099 -0.7809 -0.9872 3071396 PK04_107287 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](C)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O14 compound treatment -0.61 -0.0876 -0.08 -0.527 0.00605 0.01 -0.377 0.091434169278997 0.0903119134376171 0.0108 0.0905 3187592 PK04_107288 CC(C)[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O15 compound treatment -1.0 -0.478 -0.42 -0.854 -0.321 -0.31 -0.987 -0.518565830721003 -0.51220099427905 -0.716 -0.9797 3187593 PK04_107289 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O16 compound treatment -0.45 0.0724 0.06 -0.554 -0.021 -0.02 -0.742 -0.273565830721003 -0.270208105114159 -0.1305 -0.4689 3071397 PK04_107290 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O17 compound treatment -0.279 0.243 0.22 -0.036 0.497 0.47 -0.167 0.301434169278997 0.297734389864666 0.5695 0.9503 3187594 PK04_107291 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O18 compound treatment -0.286 0.236 0.21 -0.209 0.324 0.31 0.218 0.686434169278997 0.678008929980923 0.6904 0.8922 3071398 PK04_107292 CC(C)[Si](O[C@H](C)c1cn(Cc2ccccc2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O19 compound treatment -0.032 0.49 0.43 -0.243 0.29 0.28 -0.269 0.199434169278997 0.196986329885814 0.5236 0.951 3187595 PK04_107293 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](NC2=O)C(C)C)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O20 compound treatment 0.465 0.987 0.87 -0.899 -0.366 -0.35 -0.324 0.144434169278997 0.142661395583491 0.3851 0.405 3071399 PK04_107294 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O21 compound treatment -0.033 0.489 0.43 -0.708 -0.175 -0.17 -0.354 0.114434169278997 0.11302961323677 0.2189 0.4586 3187594 PK04_107295 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O22 compound treatment -0.494 0.0284 0.03 -0.214 0.319 0.3 -0.213 0.255434169278997 0.25229899026636 0.3357 0.848 3187596 PK04_107296 CC(C)[Si](O[C@H](C)c1cn(Cc2cccc(Cl)c2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O23 compound treatment -1.548 -1.03 -0.91 -1.041 -0.508 -0.48 -1.03 -0.561565830721003 -0.554673215642684 -1.1231 -0.9617 3187597 PK04_107297 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](NC2=O)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 O24 compound treatment -0.305 0.217 0.19 -0.654 -0.121 -0.12 -0.631 -0.162565830721003 -0.16057051043129 -0.0482 -0.175 3071400 PK04_107298 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](C)c2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P01 compound treatment -0.167 0.355 0.31 -0.267 0.266 0.25 -0.333 0.135434169278997 0.133771860879475 0.405 0.9522 3187598 PK04_107299 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P02 compound treatment -0.414 0.108 0.1 -0.702 -0.169 -0.16 -0.354 0.114434169278997 0.11302961323677 0.0277 0.1265 3071401 PK04_107300 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P03 compound treatment -0.639 -0.117 -0.1 -0.606 -0.073 -0.07 -0.69 -0.221565830721003 -0.218846349046509 -0.226 -0.8978 3187599 PK04_107301 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P04 compound treatment -0.447 0.0754 0.07 -0.566 -0.033 -0.03 -0.619 -0.150565830721003 -0.148717797492602 -0.0655 -0.3945 3187600 PK04_107302 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P05 compound treatment -0.836 -0.314 -0.28 -0.567 -0.034 -0.03 -0.827 -0.358565830721003 -0.354164821763203 -0.3832 -0.8498 3071402 PK04_107303 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P06 compound treatment -0.437 0.0854 0.08 -0.837 -0.304 -0.29 -0.469 -5.65830721002969E-4 -5.58885758994946E-4 -0.1239 -0.414 3187601 PK04_107304 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P07 compound treatment -0.812 -0.29 -0.26 -1.027 -0.494 -0.47 -1.025 -0.556565830721003 -0.549734585251563 -0.7369 -0.96 3187602 PK04_107305 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P08 compound treatment -0.621 -0.0986 -0.09 -0.71 -0.177 -0.17 -0.657 -0.188565830721003 -0.186251388465115 -0.2552 -0.9597 3071403 PK04_107306 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P09 compound treatment -0.271 0.251 0.22 -0.712 -0.179 -0.17 -0.123 0.345434169278997 0.341194337306524 0.2269 0.514 3187603 PK04_107307 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P10 compound treatment -0.455 0.0674 0.06 0.0 0.533 0.51 -0.634 -0.165565830721003 -0.163533688665962 0.2332 0.4344 3187604 PK04_107308 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P11 mock treatment 0.485 1.01 0.89 -0.592 -0.059 -0.06 -0.219 0.249434169278997 0.246372633797016 0.6241 0.674 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P12 mock treatment -0.191 0.331 0.29 -0.327 0.206 0.2 -0.791 -0.322565830721003 -0.318606682947137 0.0986 0.2074 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P13 compound treatment -0.614 -0.0916 -0.08 -0.823 -0.29 -0.28 -0.704 -0.235565830721003 -0.232674514141645 -0.3405 -0.9201 3071404 PK04_107309 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P14 compound treatment -0.932 -0.41 -0.36 -1.069 -0.536 -0.51 -0.75 -0.281565830721003 -0.278109913739951 -0.6644 -0.97 3187605 PK04_107310 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P15 compound treatment -0.227 0.295 0.26 -0.776 -0.243 -0.23 -0.716 -0.247565830721003 -0.244527227080334 -0.124 -0.291 3187606 PK04_107311 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P16 compound treatment -0.5 0.0224 0.02 -0.46 0.073 0.07 -0.804 -0.335565830721003 -0.33144712196405 -0.1397 -0.4119 3071405 PK04_107312 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P17 compound treatment -0.707 -0.185 -0.16 -0.172 0.361 0.34 -0.904 -0.435565830721003 -0.430219729786454 -0.144 -0.2507 3187607 PK04_107313 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P18 compound treatment -0.149 0.373 0.33 -0.333 0.2 0.19 -0.553 -0.084565830721003 -0.0835278763298147 0.2524 0.6468 3187608 PK04_107314 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P19 compound treatment -0.36 0.162 0.14 -0.593 -0.06 -0.06 -0.293 0.175434169278997 0.173280904008437 0.15 0.646 3187728 PK04_107315 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P20 compound treatment -0.398 0.124 0.11 -0.158 0.375 0.36 -0.632 -0.163565830721003 -0.161558236509514 0.1765 0.4334 3071452 PK04_107316 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P21 compound treatment -0.08 0.442 0.39 0.963 1.5 1.43 -0.414 0.054434169278997 0.0537660485433275 1.0797 0.7301 3187729 PK04_107317 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P22 compound treatment -0.217 0.305 0.27 -0.619 -0.086 -0.08 -0.578 -0.109565830721003 -0.108221028285416 0.0462 0.1527 3187730 PK04_107318 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P23 compound treatment -1.008 -0.486 -0.43 -0.746 -0.213 -0.2 -0.55 -0.081565830721003 -0.0805646980951426 -0.4115 -0.8544 3071453 PK04_107319 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2107 P24 compound treatment -0.779 -0.257 -0.23 -0.06 0.473 0.45 -1.045 -0.576565830721003 -0.569489106816044 -0.1996 -0.2623 3187731 PK04_107320 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A01 compound treatment -1.181 -0.659 -0.58 -0.819 -0.286 -0.27 -0.85 -0.381565830721003 -0.376882521562356 -0.711 -0.9542 3187732 PK04_108001 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A02 compound treatment -1.254 -0.732 -0.65 -1.54 -1.01 -0.96 -0.985 -0.516565830721003 -0.510225542122602 -1.2218 -0.9663 3071454 PK04_108002 CCC1=C2CN(Cc3ccccc3Br)[C@@H]([C@@H](O)Cc4ccccc4)C2C=CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A03 compound treatment -0.591 -0.0686 -0.06 -0.754 -0.221 -0.21 -0.765 -0.296565830721003 -0.292925804913312 -0.3256 -0.8903 3187733 PK04_108003 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A04 compound treatment -1.284 -0.762 -0.67 -1.067 -0.534 -0.51 -0.649 -0.180565830721003 -0.178349579839323 -0.7854 -0.9106 3071455 PK04_108004 CCC1=C2CN(Cc3ccccc3)[C@H](C2C=CCC1)C(=O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A05 compound treatment -1.407 -0.885 -0.78 -1.086 -0.553 -0.53 -1.0 -0.531565830721003 -0.525041433295962 -1.0588 -0.981 3187734 PK04_108005 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A06 compound treatment -0.938 -0.416 -0.37 -0.959 -0.426 -0.41 -1.357 -0.888565830721003 -0.877659643221946 -0.9531 -0.9214 3071456 PK04_108006 C/C=C\[C@@H](NCc1ccccc1Br)[C@@H](O)Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A07 compound treatment -0.516 0.00645 0.01 -0.857 -0.324 -0.31 -0.754 -0.285565830721003 -0.282060818052848 -0.3377 -0.8077 3187735 PK04_108007 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A08 compound treatment -0.477 0.0454 0.04 -0.593 -0.06 -0.06 -0.231 0.237434169278997 0.234519920858328 0.1256 0.5134 3071457 PK04_108008 CC(=CCN[C@H](CO)c1ccccc1)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A09 compound treatment -1.169 -0.647 -0.57 -0.744 -0.211 -0.2 -0.968 -0.499565830721003 -0.493434198792793 -0.7309 -0.9354 3187736 PK04_108009 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A10 compound treatment -0.687 -0.165 -0.15 -0.3 0.233 0.22 -0.377 0.091434169278997 0.0903119134376171 0.0963 0.3436 3071458 PK04_108010 CC(=CCN(CC#C)[C@H](CO)c1ccccc1)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A11 compound treatment -0.523 -5.55E-4 0.0 -0.714 -0.181 -0.17 -0.667 -0.198565830721003 -0.196128649247356 -0.213 -0.8159 3071459 PK04_108011 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A12 compound treatment -1.107 -0.585 -0.52 -1.26 -0.727 -0.69 -1.224 -0.755565830721003 -0.746292074818148 -1.1291 -0.9889 3187737 PK04_108012 CC(=CCN(CC#Cc1ccccc1)[C@H](CO)c2ccccc2)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A13 mock treatment -0.462 0.0604 0.05 -0.423 0.11 0.1 -0.203 0.265434169278997 0.262176251048601 0.2427 0.8447 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A14 mock treatment -0.476 0.0464 0.04 -0.418 0.115 0.11 -0.471 -0.00256583072100297 -0.00253433791544304 0.0855 0.7305 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A15 compound treatment -0.643 -0.121 -0.11 -0.477 0.056 0.05 -0.449 0.019434169278997 0.0191956358054859 -0.0196 -0.1625 3187738 PK04_108013 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A16 compound treatment -0.692 -0.17 -0.15 -0.493 0.04 0.04 -0.333 0.135434169278997 0.133771860879475 0.0127 0.0622 3071460 PK04_108014 O=C1OC[C@@H](c2ccccc2)n3cc(/C=C/c4ccccc4)cc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A17 compound treatment -0.5 0.0224 0.02 -0.603 -0.07 -0.07 -0.214 0.254434169278997 0.251311264188136 0.1181 0.4528 3187739 PK04_108015 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A18 compound treatment -0.56 -0.0376 -0.03 -0.419 0.114 0.11 -0.554 -0.085565830721003 -0.0845156024080388 -0.0052 -0.037 3071461 PK04_108016 CC(=C)C/1CN([C@H](CO)c2ccccc2)C(=O)\C1=C/c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A19 compound treatment -0.825 -0.303 -0.27 -0.7 -0.167 -0.16 -0.694 -0.225565830721003 -0.222797253359405 -0.3749 -0.9795 3187740 PK04_108017 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A20 compound treatment -0.386 0.136 0.12 -0.51 0.023 0.02 -0.312 0.156434169278997 0.15451410852218 0.1715 0.8696 3071462 PK04_108018 OCC(/C=C/c1ccccc1)N(CC#C)C(C(=O)O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A21 compound treatment -0.551 -0.0286 -0.03 -0.378 0.155 0.15 -1.069 -0.600565830721003 -0.593194532693421 -0.2718 -0.4442 3187741 PK04_108019 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A22 compound treatment -0.64 -0.118 -0.1 -0.56 -0.027 -0.03 -0.468 4.34169278996976E-4 4.28840319229044E-4 -0.0746 -0.6967 3071463 PK04_108020 C/C=C/CN([C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A23 compound treatment -0.089 0.433 0.38 -0.287 0.246 0.23 -0.016 0.452434169278997 0.446881027676497 0.6146 0.9699 3187742 PK04_108021 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 A24 compound treatment 0.261 0.783 0.69 0.136 0.669 0.64 0.151 0.619434169278997 0.611831282739912 1.1211 0.9986 3071464 PK04_108022 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B01 compound treatment -1.293 -0.771 -0.68 -1.233 -0.7 -0.67 -1.076 -0.607565830721003 -0.60010861524099 -1.1248 -0.9985 2133065 PK04_108023 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B02 compound treatment -0.488 0.0344 0.03 -0.363 0.17 0.16 0.138 0.606434169278997 0.598990843723 0.4569 0.7355 3071465 PK04_108024 CCCCNC(=O)c1ccc(C#CC(C)(C)C)c(OC(=O)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B03 compound treatment -0.298 0.224 0.2 -0.459 0.074 0.07 -0.656 -0.187565830721003 -0.185263662386891 0.0483 0.1723 2133224 PK04_108025 CCCCC(=O)N(Cc1ccccc1F)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B04 compound treatment -0.787 -0.265 -0.23 -0.721 -0.188 -0.18 -0.641 -0.172565830721003 -0.170447771213531 -0.3368 -0.9897 1952196 PK04_108026 CCCCNC(=O)c1ccc(C#C[Si](C)(C)C)c(OC(=O)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B05 compound treatment -0.118 0.404 0.36 -0.384 0.149 0.14 1.037 1.505434169279 1.46102769583418 1.1319 0.7492 2133510 PK04_108027 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCc3cccc(F)c3)C(=O)CCC4CCCC4)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B06 compound treatment -0.259 0.263 0.23 -0.65 -0.117 -0.11 -0.622 -0.153565830721003 -0.151680975727274 -0.0174 -0.0582 3071510 PK04_108028 CCCCNC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC(=O)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B07 compound treatment -1.155 -0.633 -0.56 -0.897 -0.364 -0.35 -1.023 -0.554565830721003 -0.547759133095115 -0.8393 -0.9803 2128988 PK04_108029 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H]3O[C@@H]32)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B08 compound treatment -1.053 -0.531 -0.47 -1.0 -0.467 -0.44 -1.0 -0.531565830721003 -0.525041433295962 -0.8308 -0.9976 3187870 PK04_108030 COC(=O)C[C@H]1O[C@@H](CCc2ccccc2)[C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B09 compound treatment -0.301 0.221 0.2 -0.477 0.056 0.05 -0.537 -0.068565830721003 -0.06772425907823 0.1048 0.4897 3187871 PK04_108031 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)N(Cc3ccco3)C(=O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B10 compound treatment -1.123 -0.601 -0.53 -1.519 -0.986 -0.94 -1.055 -0.586565830721003 -0.579366367598285 -1.1833 -0.9662 3071511 PK04_108032 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(I)cc52 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B11 compound treatment 0.123 0.645 0.57 0.183 0.716 0.68 0.339 0.807434169278997 0.797523785446033 1.1837 0.9909 2129008 PK04_108033 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)NCc3ccc(F)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B12 compound treatment -0.412 0.11 0.1 -0.614 -0.081 -0.08 -0.697 -0.228565830721003 -0.225760431594077 -0.1185 -0.4597 3187872 PK04_108034 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc52 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B13 mock treatment -0.415 0.107 0.09 -0.467 0.066 0.06 -0.101 0.367434169278997 0.362924311027453 0.3007 0.7905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B14 mock treatment -0.482 0.0404 0.04 -0.287 0.246 0.23 -0.437 0.031434169278997 0.0310483487441744 0.1739 0.7272 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B15 compound treatment -0.398 0.124 0.11 -0.152 0.381 0.36 -0.368 0.100434169278997 0.0992014481416335 0.3304 0.8426 3187873 PK04_108035 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CCC\C=C\CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B16 compound treatment -0.552 -0.0296 -0.03 -0.5 0.033 0.03 -0.5 -0.031565830721003 -0.0311783941839403 -0.0149 -0.2898 3414061 PK04_108036 COC(=O)C[C@@H]1C[C@H](C)[C@]2(O1)C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B17 compound treatment -0.086 0.436 0.39 -0.429 0.104 0.1 -0.298 0.170434169278997 0.168342273617317 0.3772 0.8721 3187874 PK04_108037 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CCC\C=C\CNC(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B18 compound treatment -0.872 -0.35 -0.31 -1.361 -0.828 -0.79 -1.051 -0.582565830721003 -0.575415463285389 -0.966 -0.9433 3071513 PK04_108038 CC(C)[Si](OCC[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)O)C(=O)N(Cc3ccccc3)c4ccccc42)(C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B19 compound treatment -0.71 -0.188 -0.17 -0.467 0.066 0.06 -0.614 -0.145565830721003 -0.143779167101481 -0.1424 -0.6238 3187875 PK04_108039 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CCC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B20 compound treatment -0.775 -0.253 -0.22 -0.643 -0.11 -0.1 -0.717 -0.248565830721003 -0.245514953158558 -0.3311 -0.9515 3071514 PK04_108040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccccc53 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B21 compound treatment -0.615 -0.0926 -0.08 -0.388 0.145 0.14 -0.684 -0.215565830721003 -0.212919992577165 -0.0904 -0.3389 3187876 PK04_108041 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B22 compound treatment -0.852 -0.33 -0.29 -0.857 -0.324 -0.31 -0.702 -0.233565830721003 -0.230699061985197 -0.4796 -0.9928 3071515 PK04_108042 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(C)cc3)C(=O)N(C)c4ccccc42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B23 compound treatment -0.177 0.345 0.31 -0.273 0.26 0.25 0.27 0.738434169278997 0.729370686048574 0.7405 0.8936 3187877 PK04_108043 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 B24 compound treatment -0.217 0.305 0.27 -0.41 0.123 0.12 -0.38 0.088434169278997 0.0873487352029449 0.274 0.8924 3071516 PK04_108044 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(C)c4ccccc42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C01 compound treatment -0.766 -0.244 -0.22 -0.713 -0.18 -0.17 -0.959 -0.490565830721003 -0.484544664088777 -0.503 -0.9027 3187878 PK04_108045 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C02 compound treatment 0.081 0.603 0.53 -1.018 -0.485 -0.46 -1.031 -0.562565830721003 -0.555660941720908 -0.2795 -0.3112 3071464 PK04_108046 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C03 compound treatment -0.658 -0.136 -0.12 -0.368 0.165 0.16 -0.462 0.00643416927899698 0.00635519678857331 0.0253 0.1277 3187879 PK04_108047 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C04 compound treatment -0.547 -0.0246 -0.02 -1.316 -0.783 -0.75 -1.254 -0.785565830721003 -0.77592385716487 -0.8911 -0.8278 3071517 PK04_108048 CC(=C)C1C(=C)CN([C@H](CO)c2ccccc2)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C05 compound treatment -0.542 -0.0196 -0.02 0.068 0.601 0.57 -0.29 0.178434169278997 0.176244082243109 0.4224 0.7047 3071518 PK04_108049 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C06 compound treatment -0.4 0.122 0.11 -0.397 0.136 0.13 -0.125 0.343434169278997 0.339218885150076 0.3332 0.8793 3187880 PK04_108050 CC(C)(C)OC(=O)N(CC#C)[C@H](CO)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C07 compound treatment -0.127 0.395 0.35 -0.581 -0.048 -0.05 -0.265 0.203434169278997 0.20093723419871 0.2915 0.7183 3187881 PK04_108051 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C08 compound treatment 0.043 0.565 0.5 -0.436 0.097 0.09 -0.046 0.422434169278997 0.417249245329776 0.5829 0.8863 3071519 PK04_108052 CC(=CCN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C09 compound treatment 1.568 2.09 1.46 -0.688 -0.155 -0.15 -0.842 -0.373565830721003 -0.368980712936563 0.5419 0.3592 3187882 PK04_108053 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C10 compound treatment -0.408 0.114 0.1 -0.701 -0.168 -0.16 -0.478 -0.00956583072100298 -0.00944842046301135 -0.0394 -0.2079 3071520 PK04_108054 OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C11 mock treatment 0.067 0.589 0.52 1.295 1.83 1.53 1.846 2.314434169279 1.63212739707658 2.1245 0.9258 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C12 mock treatment -0.372 0.15 0.13 -0.475 0.058 0.06 -0.322 0.146434169278997 0.14463684773994 0.1922 0.9417 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C13 compound treatment -0.687 -0.165 -0.15 -0.722 -0.189 -0.18 -0.726 -0.257565830721003 -0.254404487862574 -0.3348 -0.9735 3187883 PK04_108055 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C14 compound treatment -0.77 -0.248 -0.22 -0.222 0.311 0.3 0.078 0.546434169278997 0.539727279029557 0.3563 0.5453 3071521 PK04_108056 CC(C)(C)[Si](C)(C)OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C15 mock treatment -0.321 0.201 0.18 -0.298 0.235 0.22 -0.316 0.152434169278997 0.150563204209284 0.319 0.9868 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C16 mock treatment -0.312 0.21 0.19 -0.321 0.212 0.2 -0.53 -0.061565830721003 -0.0608101765306617 0.1889 0.6717 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C17 compound treatment -0.363 0.159 0.14 0.333 0.866 0.83 0.274 0.742434169278997 0.73332159036147 0.9811 0.8817 3188001 PK04_108057 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C18 compound treatment -0.377 0.145 0.13 -0.522 0.011 0.01 -0.492 -0.023565830721003 -0.023276585558148 0.0669 0.5101 3071522 PK04_108058 O=C1OC[C@H](N2CC(=CC21)/C=C/c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C19 compound treatment 0.089 0.611 0.54 -0.149 0.384 0.37 -0.476 -0.00756583072100298 -0.00747296830656326 0.519 0.7951 3188002 PK04_108059 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C20 compound treatment -0.219 0.303 0.27 -0.74 -0.207 -0.2 -0.118 0.350434169278997 0.346132967697645 0.2409 0.5016 3071523 PK04_108060 OCC(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C21 compound treatment -0.594 -0.0716 -0.06 -0.653 -0.12 -0.11 -0.382 0.086434169278997 0.0853732830464969 -0.0532 -0.341 3188003 PK04_108061 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C22 compound treatment 0.5 1.02 0.9 0.635 1.17 1.11 0.5 0.968434169278997 0.956547684040104 1.7166 0.996 3071524 PK04_108062 OCC1C=C(CN1Cc2ccccc2Br)/C=C/c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C23 compound treatment -0.184 0.338 0.3 -0.587 -0.054 -0.05 -0.519 -0.050565830721003 -0.0499451896701972 0.1142 0.3713 3188004 PK04_108063 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 C24 compound treatment -0.113 0.409 0.36 -0.22 0.313 0.3 -0.13 0.338434169278997 0.334280254758956 0.5742 0.9969 3071525 PK04_108064 CCOC(=O)C1OC[C@H](N1CC#C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D01 compound treatment -0.156 0.366 0.32 -0.306 0.227 0.22 -0.215 0.253434169278997 0.250323538109912 0.4565 0.9858 3188005 PK04_108065 CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D02 compound treatment -0.479 0.0434 0.04 -0.293 0.24 0.23 -0.506 -0.037565830721003 -0.0371047506532846 0.1328 0.5654 3414062 PK04_108066 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccccc3)C(=O)N(C)c4ccccc42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D03 compound treatment -0.88 -0.358 -0.32 -0.6 -0.067 -0.06 0.11 0.578434169278997 0.571334513532727 0.1105 0.1685 3188006 PK04_108067 CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D04 compound treatment -0.606 -0.0836 -0.07 -0.311 0.222 0.21 -0.044 0.424434169278997 0.419224697486224 0.3215 0.6764 3071527 PK04_108068 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D05 compound treatment -0.442 0.0804 0.07 -0.28 0.253 0.24 -0.238 0.230434169278997 0.227605838310759 0.3117 0.9191 3188007 PK04_108069 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D06 compound treatment -0.839 -0.317 -0.28 -0.971 -0.438 -0.42 -0.081 0.387434169278997 0.382678832591934 -0.1815 -0.2874 3071528 PK04_108070 CCOC(=O)[C@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@@H]2O[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D07 compound treatment -0.524 -0.00155 0.0 -0.667 -0.134 -0.13 0.079 0.547434169278997 0.540715005107781 0.2377 0.4279 3188008 PK04_108071 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D08 compound treatment -0.785 -0.263 -0.23 -0.99 -0.457 -0.44 -0.564 -0.0955658307210029 -0.0943928631902791 -0.4398 -0.8757 3071529 PK04_108072 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D09 compound treatment -0.776 -0.254 -0.22 -0.938 -0.405 -0.39 -0.958 -0.489565830721003 -0.483556938010553 -0.6313 -0.9595 3188009 PK04_108073 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)CNC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D10 compound treatment -1.283 -0.761 -0.67 -1.103 -0.57 -0.54 -1.044 -0.575565830721003 -0.56850138073782 -1.0299 -0.9956 3071530 PK04_108074 CCOC(=O)[C@H]1C[C@H]2O[C@]32C[C@H]1C(=O)N4CCCC4[C@@H]3O[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D11 mock treatment -0.204 0.318 0.28 -0.268 0.265 0.25 -0.299 0.169434169278997 0.167354547539093 0.4049 0.9792 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D12 mock treatment -0.337 0.185 0.16 -0.159 0.374 0.36 -0.364 0.104434169278997 0.10315235245453 0.3599 0.8875 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D13 compound treatment -0.111 0.411 0.36 -0.009 0.524 0.5 -0.025 0.443434169278997 0.437991492972481 0.7511 0.9919 3188010 PK04_108075 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D14 compound treatment -0.47 0.0524 0.05 -0.554 -0.021 -0.02 -0.822 -0.353565830721003 -0.349226191372083 -0.1864 -0.5282 3071531 PK04_108076 CCOC(=O)[C@@H]1[C@@H]2CN(CCC2=C[C@@H]3[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]4CCCN4C(=O)[C@@H]13)S(=O)(=O)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D15 mock treatment -0.338 0.184 0.16 -0.207 0.326 0.31 -0.412 0.056434169278997 0.0557415006997756 0.3057 0.8605 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D16 mock treatment -0.388 0.134 0.12 -0.414 0.119 0.11 -0.297 0.171434169278997 0.169329999695541 0.2319 0.9828 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D17 compound treatment -0.419 0.103 0.09 -0.375 0.158 0.15 -0.138 0.330434169278997 0.326378446133164 0.3282 0.8848 3071578 PK04_108077 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D18 compound treatment -1.253 -0.731 -0.65 -1.123 -0.59 -0.56 -0.132 0.336434169278997 0.332304802602508 -0.5055 -0.5504 3071579 PK04_108078 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D19 compound treatment -0.827 -0.305 -0.27 -0.435 0.098 0.09 -0.612 -0.143565830721003 -0.141803714945033 -0.1834 -0.5761 3071580 PK04_108079 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc6ccccc6)NC2=O)[C@@H]7O[C@]7(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D20 compound treatment -0.46 0.0624 0.06 0.157 0.69 0.66 -0.152 0.316434169278997 0.312550281038027 0.5919 0.8108 3188011 PK04_108080 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D21 compound treatment 0.223 0.745 0.66 -0.849 -0.316 -0.3 -1.076 -0.607565830721003 -0.60010861524099 -0.1397 -0.1485 3188012 PK04_108081 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D22 compound treatment -0.612 -0.0896 -0.08 -1.364 -0.831 -0.79 -1.155 -0.686565830721003 -0.678138975420689 -0.8943 -0.8555 3071581 PK04_108082 O=C1C2CC=C(CC2C(=O)c3ccccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D23 compound treatment -0.549 -0.0266 -0.02 -0.288 0.245 0.23 -0.43 0.038434169278997 0.0379624312917428 0.1431 0.6023 3188013 PK04_108083 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 D24 compound treatment -1.122 -0.6 -0.53 -1.562 -1.03 -0.98 -1.418 -0.949565830721003 -0.937910933993613 -1.4135 -0.9704 3071582 PK04_108084 O=C1c2ccccc2C(=O)c3cc(ccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E01 mock treatment -0.369 0.153 0.14 -0.337 0.196 0.19 -0.075 0.393434169278997 0.388605189061278 0.4105 0.9082 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E02 mock treatment -0.302 0.22 0.19 -0.45 0.083 0.08 -0.196 0.272434169278997 0.269090333596169 0.3136 0.9181 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E03 compound treatment -0.44 0.0824 0.07 -0.442 0.091 0.09 -0.446 0.022434169278997 0.022158814040158 0.105 0.9091 3188014 PK04_108085 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E04 compound treatment -0.3 0.222 0.2 -0.087 0.446 0.42 -0.433 0.035434169278997 0.0349992530570706 0.3791 0.8074 3071583 PK04_108086 C/C=C/CN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E05 compound treatment -0.787 -0.265 -0.23 -0.653 -0.12 -0.11 -0.292 0.176434169278997 0.174268630086661 -0.1004 -0.3205 3188015 PK04_108087 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E06 compound treatment -0.437 0.0854 0.08 -0.286 0.247 0.24 -0.439 0.029434169278997 0.0290728965877263 0.1963 0.7886 3071584 PK04_108088 OCC(NCC#C)/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E07 compound treatment -0.235 0.287 0.25 -0.588 -0.055 -0.05 -0.787 -0.318565830721003 -0.314655778634241 -0.0652 -0.1598 3188129 PK04_108089 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E08 compound treatment -0.575 -0.0526 -0.05 -1.065 -0.532 -0.51 -0.812 -0.343565830721003 -0.339348930589842 -0.5153 -0.8425 3071585 PK04_108090 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E09 mock treatment -0.4 0.122 0.11 -0.678 -0.145 -0.14 -0.397 0.071434169278997 0.0705573918731362 0.0235 0.1243 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E10 mock treatment -0.087 0.435 0.38 -0.22 0.313 0.3 -0.372 0.096434169278997 0.0952505438287373 0.4494 0.9058 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E11 compound treatment -0.255 0.267 0.24 -0.329 0.204 0.19 -0.096 0.372434169278997 0.367862941418573 0.4611 0.9636 3071586 PK04_108091 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E12 compound treatment -0.805 -0.283 -0.25 -0.716 -0.183 -0.17 -0.872 -0.403565830721003 -0.398612495283285 -0.475 -0.9468 3188130 PK04_108092 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E13 compound treatment -1.986 -1.46 -1.29 -0.785 -0.252 -0.24 -1.25 -0.781565830721003 -0.771972952851973 -1.3313 -0.8726 3188131 PK04_108093 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E14 compound treatment -0.5 0.0224 0.02 -0.593 -0.06 -0.06 -0.245 0.223434169278997 0.220691755763191 0.1059 0.4628 3071587 PK04_108094 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E15 compound treatment -0.556 -0.0336 -0.03 -0.573 -0.04 -0.04 -0.439 0.029434169278997 0.0290728965877263 -0.0223 -0.3961 3188132 PK04_108095 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E16 compound treatment -0.032 0.49 0.43 0.224 0.757 0.72 0.394 0.862434169278997 0.851848719748355 1.1585 0.9675 3071588 PK04_108096 BrC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E17 mock treatment 0.16 0.682 0.6 -0.561 -0.028 -0.03 -0.311 0.157434169278997 0.155501834600404 0.4227 0.6779 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E18 mock treatment -0.831 -0.309 -0.27 -0.284 0.249 0.24 -0.603 -0.134565830721003 -0.132914180241017 -0.0973 -0.2525 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E19 compound treatment -0.807 -0.285 -0.25 -0.683 -0.15 -0.14 -0.444 0.024434169278997 0.0241342661966061 -0.2138 -0.7364 3188133 PK04_108097 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E20 compound treatment -0.088 0.434 0.38 0.057 0.59 0.56 0.208 0.676434169278997 0.668131669198683 0.932 0.9771 3071589 PK04_108098 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E21 compound treatment -1.315 -0.793 -0.7 -0.931 -0.398 -0.38 -1.068 -0.599565830721003 -0.592206806615197 -0.9653 -0.9725 3188134 PK04_108099 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E22 compound treatment -0.64 -0.118 -0.1 -0.51 0.023 0.02 -0.45 0.018434169278997 0.0182079097272619 -0.0368 -0.3416 3071590 PK04_108100 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E23 compound treatment 0.102 0.624 0.55 -0.267 0.266 0.25 0.087 0.555434169278997 0.548616813733574 0.7818 0.9551 3188135 PK04_108101 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 E24 compound treatment -0.197 0.325 0.29 -0.241 0.292 0.28 -0.098 0.370434169278997 0.365887489262125 0.538 0.9921 3071591 PK04_108102 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F01 mock treatment -0.146 0.376 0.33 -0.229 0.304 0.29 -0.084 0.384434169278997 0.379715654357262 0.5786 0.994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F02 mock treatment -0.301 0.221 0.2 -0.276 0.257 0.24 -0.25 0.218434169278997 0.215753125372071 0.379 0.9958 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F03 compound treatment 0.536 1.06 0.94 0.155 0.688 0.66 -0.014 0.454434169278997 0.448856479832945 1.1779 0.9595 3188136 PK04_108103 CC(C)C[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F04 compound treatment -1.386 -0.864 -0.76 -0.942 -0.409 -0.39 -1.071 -0.602565830721003 -0.595169984849869 -1.0093 -0.9673 3071592 PK04_108104 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F05 compound treatment -0.191 0.331 0.29 -0.457 0.076 0.07 -0.4 0.068434169278997 0.067594213638464 0.25 0.8083 3188137 PK04_108105 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](C)NC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F06 compound treatment -1.417 -0.895 -0.79 -0.393 0.14 0.13 -0.667 -0.198565830721003 -0.196128649247356 -0.4928 -0.5969 3071592 PK04_108106 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F07 compound treatment -0.721 -0.199 -0.18 -0.738 -0.205 -0.2 -1.122 -0.653565830721003 -0.645544014839296 -0.5868 -0.842 3071593 PK04_108107 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F08 compound treatment -1.079 -0.557 -0.49 -0.915 -0.382 -0.36 -0.471 -0.00256583072100297 -0.00253433791544304 -0.4956 -0.8099 3188138 PK04_108108 Cc1ccc(cc1)S(=O)(=O)N(CCC=C)CC#C[C@H]2Oc3ccccc3S(=O)(=O)N4CCC[C@@H]24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F09 mock treatment -0.306 0.216 0.19 -0.194 0.339 0.32 -0.361 0.107434169278997 0.106115530689202 0.3582 0.9182 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F10 mock treatment -0.169 0.353 0.31 -0.567 -0.034 -0.03 -0.696 -0.227565830721003 -0.224772705515853 0.032 0.0827 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F11 compound treatment 0.232 0.754 0.67 0.0 0.533 0.51 0.059 0.527434169278997 0.5209604835433 0.9791 0.992 3188139 PK04_108109 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F12 compound treatment -0.4 0.122 0.11 -0.415 0.118 0.11 -0.442 0.026434169278997 0.0261097183530542 0.1425 0.9004 3071594 PK04_108110 O=S1(=O)N2CCC[C@H]2[C@H](Oc3ccccc31)C#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F13 compound treatment -0.238 0.284 0.25 -0.224 0.309 0.29 -0.022 0.446434169278997 0.440954671207153 0.5698 0.9709 3188140 PK04_108111 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](C)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F14 compound treatment -0.905 -0.383 -0.34 -0.457 0.076 0.07 -0.543 -0.074565830721003 -0.0736506155475743 -0.196 -0.5541 3414064 PK04_108112 O=S1(=O)N2CCC[C@@H]2[C@@H](Oc3ccccc31)C#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F15 compound treatment -0.775 -0.253 -0.22 -0.671 -0.138 -0.13 -0.689 -0.220565830721003 -0.217858622968285 -0.3306 -0.9765 3071596 PK04_108113 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](C)NC(=O)[C@@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F16 compound treatment -0.648 -0.126 -0.11 -0.794 -0.261 -0.25 -0.789 -0.320565830721003 -0.316631230790689 -0.3904 -0.935 3188141 PK04_108114 C=CC(=C)[C@H]1Oc2ccccc2S(=O)(=O)N3CCC[C@@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F17 mock treatment 0.435 0.957 0.85 0.136 0.669 0.64 0.333 0.801434169278997 0.791597428976688 1.3137 0.9933 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F18 mock treatment -0.971 -0.449 -0.4 -0.763 -0.23 -0.22 -0.15 0.318434169278997 0.314525733194475 -0.1738 -0.3152 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F19 compound treatment -0.238 0.284 0.25 -0.111 0.422 0.4 -0.037 0.431434169278997 0.426138780033792 0.6234 0.9777 3188142 PK04_108115 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F20 compound treatment -0.906 -0.384 -0.34 -0.985 -0.452 -0.43 -1.105 -0.636565830721003 -0.628752671509487 -0.8074 -0.968 3071597 PK04_108116 Cc1ccc(cc1)S(=O)(=O)NC/C=C\C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F21 compound treatment -0.814 -0.292 -0.26 -0.342 0.191 0.18 -0.46 0.00843416927899698 0.0083306489450214 -0.0389 -0.1233 3188143 PK04_108117 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F22 compound treatment -0.333 0.189 0.17 -0.683 -0.15 -0.14 -0.763 -0.294565830721003 -0.290950352756864 -0.1538 -0.4214 3071598 PK04_108118 Cc1ccc(cc1)S(=O)(=O)NC/C=C/C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F23 compound treatment -0.121 0.401 0.35 -0.117 0.416 0.4 0.115 0.583434169278997 0.576273143923847 0.7665 0.9772 3188144 PK04_108119 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC4=O)[C@@H]5O[C@@]51C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 F24 compound treatment -0.5 0.0224 0.02 -0.95 -0.417 -0.4 -1.274 -0.805565830721003 -0.79567837872935 -0.6773 -0.7614 3188260 PK04_108120 CC(=O)O[C@@H]([C@@H]1CCCN1S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=C)C3=CCN(C3)S(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G01 compound treatment -0.669 -0.147 -0.13 -0.81 -0.277 -0.26 -0.657 -0.188565830721003 -0.186251388465115 -0.3347 -0.9617 3071599 PK04_108121 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G02 compound treatment -0.254 0.268 0.24 -0.652 -0.119 -0.11 -0.475 -0.00656583072100297 -0.00648524222833922 0.0679 0.2579 3188261 PK04_108122 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3cccc(C)c3)C(=O)[C@@]42CO4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G03 mock treatment -0.385 0.137 0.12 -0.367 0.166 0.16 -0.192 0.276434169278997 0.273041237909065 0.3191 0.9438 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G04 mock treatment -0.291 0.231 0.2 -0.463 0.07 0.07 -0.328 0.140434169278997 0.138710491270595 0.2367 0.9246 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G05 compound treatment -0.914 -0.392 -0.35 -0.392 0.141 0.13 -0.19 0.278434169278997 0.275016690065513 0.0365 0.079 3188262 PK04_108123 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G06 compound treatment -0.565 -0.0426 -0.04 -0.474 0.059 0.06 -0.588 -0.119565830721003 -0.118098289067656 -0.0574 -0.4219 3071600 PK04_108124 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(OC)C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G07 compound treatment -0.833 -0.311 -0.27 -0.46 0.073 0.07 -0.758 -0.289565830721003 -0.286011722365744 -0.2835 -0.7042 3189036 PK04_108125 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G08 compound treatment 0.563 1.09 0.96 -0.636 -0.103 -0.1 -0.183 0.285434169278997 0.281930772613082 0.6602 0.6569 3071601 PK04_108126 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G09 compound treatment -0.573 -0.0506 -0.04 -0.88 -0.347 -0.33 -0.747 -0.278565830721003 -0.275146735505279 -0.3755 -0.8684 3188263 PK04_108127 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G10 compound treatment -0.492 0.0304 0.03 -0.812 -0.279 -0.27 -0.412 0.056434169278997 0.0557415006997756 -0.1057 -0.3874 3071602 PK04_108128 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G11 compound treatment -0.633 -0.111 -0.1 -0.857 -0.324 -0.31 -0.637 -0.168565830721003 -0.166496866900634 -0.3307 -0.9085 3188264 PK04_108129 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G12 compound treatment -0.733 -0.211 -0.19 -1.071 -0.538 -0.51 -0.879 -0.410565830721003 -0.405526577830853 -0.6375 -0.9381 3071603 PK04_108130 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G13 compound treatment -0.737 -0.215 -0.19 0.094 0.627 0.6 -0.972 -0.503565830721003 -0.497385103105689 -0.0518 -0.0647 3188265 PK04_108131 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G14 compound treatment -0.729 -0.207 -0.18 -0.688 -0.155 -0.15 -0.671 -0.202565830721003 -0.200079553560252 -0.3062 -0.9925 3071604 PK04_108132 CCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G15 compound treatment -1.181 -0.659 -0.58 -1.037 -0.504 -0.48 -0.951 -0.482565830721003 -0.476642855462984 -0.8885 -0.9955 3188266 PK04_108133 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G16 compound treatment -0.259 0.263 0.23 -0.293 0.24 0.23 -0.015 0.453434169278997 0.447868753754721 0.5251 0.9475 3071651 PK04_108134 IC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G17 compound treatment -0.767 -0.245 -0.22 -0.29 0.243 0.23 -0.241 0.227434169278997 0.224642660076087 0.1385 0.3568 3188267 PK04_108135 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G18 compound treatment -0.22 0.302 0.27 -0.306 0.227 0.22 -0.232 0.236434169278997 0.233532194780103 0.4141 0.9961 3071652 PK04_108136 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G19 mock treatment -0.132 0.39 0.35 -0.1 0.433 0.41 -0.49 -0.021565830721003 -0.0213011334016999 0.4252 0.7898 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G20 mock treatment 0.122 0.644 0.57 -0.606 -0.073 -0.07 -0.319 0.149434169278997 0.147600025974612 0.374 0.6311 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G21 compound treatment -0.753 -0.231 -0.2 -0.667 -0.134 -0.13 -0.484 -0.015565830721003 -0.0153747769323556 -0.2002 -0.8309 3189164 PK04_108137 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G22 compound treatment -0.105 0.417 0.37 0.0 0.533 0.51 -0.111 0.357434169278997 0.353047050245213 0.7101 0.9859 3071653 PK04_108138 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G23 compound treatment -0.6 -0.0776 -0.07 -0.857 -0.324 -0.31 -0.797 -0.328565830721003 -0.324533039416481 -0.4051 -0.8942 3189167 PK04_108139 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 G24 compound treatment -0.602 -0.0796 -0.07 -0.203 0.33 0.31 -0.392 0.076434169278997 0.0754960222642564 0.1845 0.5576 3188268 PK04_108140 CCCCO[C@H]1C[C@H]2C(=C[C@]1(CO)C(=O)[C@@]32CO3)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H01 compound treatment -0.106 0.416 0.37 0.277 0.81 0.77 -0.011 0.457434169278997 0.451819658067617 0.919 0.9503 3188269 PK04_108141 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H02 compound treatment -0.537 -0.0146 -0.01 -0.5 0.033 0.03 -0.783 -0.314565830721003 -0.310704874321345 -0.1686 -0.5395 3071654 PK04_108142 [O-][N+](=O)c1ccccc1S(=O)(=O)N2CCC[C@@H]2[C@H]3OCC=C3C(=C)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H03 mock treatment -0.427 0.0954 0.08 -0.283 0.25 0.24 -0.632 -0.163565830721003 -0.161558236509514 0.093 0.31 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H04 mock treatment -0.361 0.161 0.14 -0.407 0.126 0.12 -0.357 0.111434169278997 0.110066435002098 0.2153 0.994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H05 compound treatment -0.21 0.312 0.28 -0.405 0.128 0.12 -0.246 0.222434169278997 0.219704029684967 0.3568 0.9553 3188270 PK04_108143 CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H06 compound treatment -0.862 -0.34 -0.3 -1.092 -0.559 -0.53 -0.571 -0.102565830721003 -0.101306945737847 -0.5392 -0.8703 3071655 PK04_108144 CN1C(=O)C2CC=C(CC2C1=O)C3=CCO[C@@H]3[C@H]4CCCN4S(=O)(=O)c5ccccc5[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H07 compound treatment -0.598 -0.0756 -0.07 -0.338 0.195 0.19 -0.442 0.026434169278997 0.0261097183530542 0.0838 0.4207 3188271 PK04_108145 CC(C)C[C@H]1NC(=O)CNC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H08 compound treatment -0.437 0.0854 0.08 -1.141 -0.608 -0.58 -1.337 -0.868565830721003 -0.857905121657465 -0.7861 -0.7574 3071656 PK04_108146 CN1C(=C)C2CC3C4C(C5CO[C@H]([C@H]6CCCN6S(=O)(=O)c7ccccc7[N+](=O)[O-])C5=C3CC2C1=O)C(=O)N(C)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H09 compound treatment -0.239 0.283 0.25 -0.412 0.121 0.12 -0.425 0.043434169278997 0.042901061682863 0.236 0.8455 3188272 PK04_108147 CC(C)C[C@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H10 compound treatment 1.02 1.54 1.35 -0.412 0.121 0.12 -0.247 0.221434169278997 0.218716303606743 0.9727 0.7084 3071529 PK04_108148 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H11 compound treatment 0.021 0.543 0.48 -0.448 0.085 0.08 -0.362 0.106434169278997 0.105127804610978 0.3849 0.7721 3188273 PK04_108149 CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC1=O)[C@@H]6O[C@]6(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H12 compound treatment -0.4 0.122 0.11 -1.055 -0.522 -0.5 -0.723 -0.254565830721003 -0.251441309627902 -0.3698 -0.6514 3071527 PK04_108150 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H13 compound treatment -0.331 0.191 0.17 0.333 0.866 0.83 2.8 3.268434169279 1.7511775200036 1.5851 0.8157 3071658 PK04_108151 CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H14 compound treatment -0.172 0.35 0.31 -0.897 -0.364 -0.35 0.935 1.403434169279 1.38620852806756 0.779 0.5328 3188274 PK04_108152 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H15 compound treatment -0.519 0.00345 0.0 -0.767 -0.234 -0.22 -0.58 -0.111565830721003 -0.110196480441864 -0.1905 -0.7663 3188275 PK04_108153 CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H16 compound treatment -0.69 -0.168 -0.15 -1.17 -0.637 -0.61 -0.986 -0.517565830721003 -0.511213268200826 -0.731 -0.9057 3071661 PK04_108154 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H17 compound treatment 0.574 1.1 0.97 -0.846 -0.313 -0.3 -0.419 0.049434169278997 0.0488274181522073 0.4157 0.4094 3188391 PK04_108155 CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H18 compound treatment -0.641 -0.119 -0.1 -1.074 -0.541 -0.52 -0.716 -0.247565830721003 -0.244527227080334 -0.4992 -0.8608 3071664 PK04_108156 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H19 mock treatment -0.242 0.28 0.25 -0.373 0.16 0.15 1.703 2.171434169279 1.60831505478585 1.1597 0.7096 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H20 mock treatment 0.169 0.691 0.61 -0.387 0.146 0.14 1.613 2.081434169279 1.59220098856474 1.3525 0.7904 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H21 compound treatment 0.115 0.637 0.56 -0.071 0.462 0.44 0.183 0.651434169278997 0.643438517243082 0.951 0.9886 3188392 PK04_108157 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H22 compound treatment -0.234 0.288 0.26 -0.493 0.04 0.04 -0.722 -0.253565830721003 -0.250453583549678 0.0247 0.0686 3071666 PK04_108158 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H23 compound treatment -0.621 -0.0986 -0.09 -0.471 0.062 0.06 -0.557 -0.088565830721003 -0.0874787806427109 -0.0667 -0.4871 3188393 PK04_108159 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H]6CCCN6C2=O)[C@@H]7O[C@]7(C)[C@H]4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 H24 compound treatment -0.088 0.434 0.38 -0.526 0.00705 0.01 -0.218 0.250434169278997 0.24736035987524 0.3684 0.8064 3071711 PK04_108160 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I01 compound treatment -1.221 -0.699 -0.62 -0.578 -0.045 -0.04 -0.893 -0.424565830721003 -0.41935474292599 -0.6234 -0.8337 3188394 PK04_108161 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I02 compound treatment -0.627 -0.105 -0.09 -0.564 -0.031 -0.03 -0.388 0.080434169278997 0.0794469265771526 -0.0245 -0.1956 3071714 PK04_108162 OC[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I03 compound treatment -0.69 -0.168 -0.15 -0.658 -0.125 -0.12 -0.648 -0.179565830721003 -0.177361853761099 -0.2567 -0.9873 3188395 PK04_108163 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I04 compound treatment -0.965 -0.443 -0.39 -0.878 -0.345 -0.33 -0.743 -0.274565830721003 -0.271195831192383 -0.5722 -0.9892 3071715 PK04_108164 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I05 mock treatment -0.534 -0.0116 -0.01 -0.691 -0.158 -0.15 -0.34 0.128434169278997 0.126857778331907 -0.0195 -0.0991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I06 mock treatment -0.778 -0.256 -0.23 -0.444 0.089 0.08 -0.667 -0.198565830721003 -0.196128649247356 -0.1947 -0.6261 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I07 compound treatment -0.967 -0.445 -0.39 -1.014 -0.481 -0.46 -1.068 -0.599565830721003 -0.592206806615197 -0.8334 -0.9855 3188396 PK04_108165 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I08 compound treatment -1.032 -0.51 -0.45 -1.068 -0.535 -0.51 -0.979 -0.510565830721003 -0.504299185653257 -0.8455 -0.9985 3071717 PK04_108166 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I09 compound treatment -1.309 -0.787 -0.7 -0.908 -0.375 -0.36 -1.177 -0.708565830721003 -0.699868949141618 -1.0118 -0.9643 3188397 PK04_108167 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I10 compound treatment 0.288 0.81 0.72 -0.083 0.45 0.43 0.093 0.561434169278997 0.554543170202918 0.9814 0.9791 3071720 PK04_108168 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I11 compound treatment 0.109 0.631 0.56 -0.414 0.119 0.11 -0.164 0.304434169278997 0.300697568099339 0.5614 0.8715 3188398 PK04_108169 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I12 compound treatment -0.271 0.251 0.22 -0.117 0.416 0.4 -0.152 0.316434169278997 0.312550281038027 0.5376 0.9748 3071724 PK04_108170 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@]4(CO4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I13 compound treatment -1.676 -1.15 -1.02 -0.636 -0.103 -0.1 -1.157 -0.688565830721003 -0.680114427577137 -1.0381 -0.8442 3071725 PK04_108171 COC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I14 compound treatment -0.3 0.222 0.2 -0.45 0.083 0.08 -0.444 0.024434169278997 0.0241342661966061 0.1732 0.8116 3071727 PK04_108172 C[C@]12COC[C@@]2(C=C(Br)[C@@H]3C1)C(=O)[C@@]43CO4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I15 compound treatment -0.557 -0.0346 -0.03 0.14 0.673 0.64 -0.356 0.112434169278997 0.111054161080322 0.4167 0.6396 3188399 PK04_108173 COC(=O)[C@H](Cc1ccc(O)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I16 compound treatment -0.318 0.204 0.18 -0.273 0.26 0.25 -0.196 0.272434169278997 0.269090333596169 0.4027 0.9872 3071766 PK04_108174 CCCCC[C@H]1OC[C@@]2(C=C(Br)[C@@H]3CC12)C(=O)[C@@]43CO4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I17 compound treatment -1.5 -0.978 -0.86 -0.964 -0.431 -0.41 -0.765 -0.296565830721003 -0.292925804913312 -0.9051 -0.9045 3188400 PK04_108175 COC(=O)[C@H](Cc1ccc(OCC#C)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I18 compound treatment -0.537 -0.0146 -0.01 -0.391 0.142 0.14 -0.518 -0.049565830721003 -0.0489574635919732 0.0424 0.2937 3071767 PK04_108176 CC1(C)OC[C@@]2(C=C(Br)[C@@H]3C[C@H]12)C(=O)[C@@]43CO4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I19 compound treatment -0.738 -0.216 -0.19 -0.472 0.061 0.06 -0.717 -0.248565830721003 -0.245514953158558 -0.2182 -0.6901 3188401 PK04_108177 Oc1ccc(C[C@@H]2N(CC#C)[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I20 compound treatment 0.157 0.679 0.6 -0.147 0.386 0.37 -0.061 0.407434169278997 0.402433354156415 0.7915 0.9757 3071770 PK04_108178 BrC1=C[C@]23COCC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I21 mock treatment -0.293 0.229 0.2 -0.417 0.116 0.11 -0.298 0.170434169278997 0.168342273617317 0.2781 0.973 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I22 mock treatment -0.259 0.263 0.23 -0.226 0.307 0.29 -0.146 0.322434169278997 0.318476637507371 0.4872 0.992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I23 compound treatment 0.333 0.855 0.76 0.204 0.737 0.7 0.542 1.010434169279 0.998032179325514 1.4183 0.9879 3188402 PK04_108179 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccc(OCC#C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 I24 compound treatment 0.828 1.35 1.19 0.914 1.45 1.38 0.612 1.080434169279 1.0671730048012 2.1013 0.9945 3071774 PK04_108180 C=CCC1=C[C@H]2[C@H]([C@H]3C=C[C@]2(CC=C)C(=O)[C@@]43CO4)[C@@]5(CO5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J01 compound treatment -0.481 0.0414 0.04 -0.659 -0.126 -0.12 -0.616 -0.147565830721003 -0.145754619257929 -0.1323 -0.6878 3188403 PK04_108181 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J02 compound treatment -1.053 -0.531 -0.47 -0.835 -0.302 -0.29 -0.777 -0.308565830721003 -0.304778517852001 -0.6129 -0.9743 3071776 PK04_108182 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(Cc5ccccc5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J03 compound treatment -0.575 -0.0526 -0.05 -0.042 0.491 0.47 -0.359 0.109434169278997 0.10809098284565 0.3057 0.6337 3188404 PK04_108183 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](C)NC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J04 compound treatment -0.596 -0.0736 -0.07 -0.486 0.047 0.04 -1.167 -0.698565830721003 -0.689991688359378 -0.41 -0.5904 3188405 PK04_108184 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J05 mock treatment -0.155 0.367 0.32 0.418 0.951 0.91 0.106 0.574434169278997 0.56738360921983 1.0382 0.9292 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J06 mock treatment -0.943 -0.421 -0.37 -0.75 -0.217 -0.21 -0.368 0.100434169278997 0.0992014481416335 -0.2767 -0.6335 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J07 compound treatment -0.29 0.232 0.21 0.095 0.628 0.6 0.273 0.741434169278997 0.732333864283246 0.8869 0.9165 3070928 PK04_108185 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC4=O)[C@@H]6O[C@@]61C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J08 compound treatment -0.635 -0.113 -0.1 -0.866 -0.333 -0.32 -0.8 -0.331565830721003 -0.327496217651154 -0.4297 -0.9207 3070929 PK04_108186 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(C)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J09 compound treatment -0.098 0.424 0.38 -0.269 0.264 0.25 0.0 0.468434169278997 0.462684644928082 0.629 0.9727 3070930 PK04_108187 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C1=O)[C@@H]6O[C@]6(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J10 compound treatment -0.981 -0.459 -0.41 -0.857 -0.324 -0.31 -0.955 -0.486565830721003 -0.48059375977588 -0.6897 -0.9847 3188406 PK04_108188 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)COc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J11 compound treatment -0.517 0.00545 0.0 -0.423 0.11 0.1 -0.4 0.068434169278997 0.067594213638464 0.1023 0.8198 3188407 PK04_108189 CC(C)C[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C1=O)[C@@H]6O[C@]6(C)[C@H]3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J12 compound treatment -0.37 0.152 0.13 -0.487 0.046 0.04 -0.721 -0.252565830721003 -0.249465857471454 -0.0409 -0.1425 3070931 PK04_108190 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J13 compound treatment -0.232 0.29 0.26 -0.24 0.293 0.28 -0.011 0.457434169278997 0.451819658067617 0.5703 0.9667 3070932 PK04_108191 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J14 compound treatment -0.805 -0.283 -0.25 -0.693 -0.16 -0.15 -0.691 -0.222565830721003 -0.219834075124733 -0.3591 -0.9812 3070933 PK04_108192 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J15 compound treatment -0.535 -0.0126 -0.01 -0.571 -0.038 -0.04 -0.595 -0.126565830721003 -0.125012371615224 -0.0995 -0.7615 3188522 PK04_108193 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J16 compound treatment -0.636 -0.114 -0.1 -0.747 -0.214 -0.2 -0.774 -0.305565830721003 -0.301815339617328 -0.3499 -0.9262 3188523 PK04_108194 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J17 compound treatment 0.081 0.603 0.53 0.208 0.741 0.71 -0.104 0.364434169278997 0.359961132792781 0.9234 0.9666 3070934 PK04_108195 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J18 compound treatment -0.281 0.241 0.21 -0.339 0.194 0.18 -0.85 -0.381565830721003 -0.376882521562356 0.0124 0.0263 3188524 PK04_108196 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J19 compound treatment -0.559 -0.0366 -0.03 -0.106 0.427 0.41 -0.113 0.355434169278997 0.351071598088765 0.4189 0.7782 3070935 PK04_108197 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J20 compound treatment -0.217 0.305 0.27 -0.256 0.277 0.26 -0.273 0.195434169278997 0.193035425572918 0.4197 0.9898 3188525 PK04_108198 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J21 mock treatment -0.203 0.319 0.28 -0.397 0.136 0.13 -0.182 0.286434169278997 0.282918498691306 0.4012 0.9548 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J22 mock treatment -0.271 0.251 0.22 -0.169 0.364 0.35 -0.103 0.365434169278997 0.360948858871005 0.537 0.9804 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J23 compound treatment -0.437 0.0854 0.08 -0.394 0.139 0.13 -0.492 -0.023565830721003 -0.023276585558148 0.1067 0.6914 3070936 PK04_108199 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 J24 compound treatment 0.067 0.589 0.52 -0.221 0.312 0.3 -0.043 0.425434169278997 0.420212423564448 0.7151 0.9763 3188526 PK04_108200 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@@H](CCc6ccccc6)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K01 compound treatment -0.502 0.0204 0.02 -0.571 -0.038 -0.04 -0.87 -0.401565830721003 -0.396637043126837 -0.2394 -0.6006 3070937 PK04_108201 COC(=O)[C@H](Cc1ccc(O)cc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K02 compound treatment -0.641 -0.119 -0.1 -0.45 0.083 0.08 -0.315 0.153434169278997 0.151550930287508 0.0727 0.3623 3188527 PK04_108202 CC1=C[C@]2(CO)C(=O)[C@]3(CO3)[C@H]1[C@@H]4[C@@]5(CO5)C(=O)C(=C[C@@]42C)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K03 compound treatment -1.182 -0.66 -0.58 -1.187 -0.654 -0.62 -0.912 -0.443565830721003 -0.438121538412247 -0.9493 -0.9897 3188528 PK04_108203 Oc1ccc(C[C@@H]2N3CC4=CCCC=C[C@@H]4[C@H]3[C@@H](Cc5ccccc5)OC2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K04 compound treatment -0.377 0.145 0.13 -0.543 -0.00995 -0.01 -0.538 -0.069565830721003 -0.068711985156454 0.0291 0.1991 3070938 PK04_108204 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K05 compound treatment -0.532 -0.00955 -0.01 -0.316 0.217 0.21 -0.367 0.101434169278997 0.100189174219858 0.1723 0.7496 3188529 PK04_108205 COC(=O)[C@H](Cc1ccccc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K06 compound treatment -0.2 0.322 0.29 -0.318 0.215 0.2 -0.413 0.055434169278997 0.0547537746215515 0.3145 0.8851 3070939 PK04_108206 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)c4ccccc4)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K07 mock treatment -0.148 0.374 0.33 -0.175 0.358 0.34 -0.205 0.263434169278997 0.260200798892153 0.5383 0.9934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K08 mock treatment 0.113 0.635 0.56 2.267 2.8 1.67 -0.092 0.376434169278997 0.37181384573147 1.5034 0.8347 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K09 compound treatment 1.605 2.13 1.46 0.135 0.668 0.64 0.026 0.494434169278997 0.488365522961907 1.4929 0.8957 3188530 PK04_108207 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K10 compound treatment 0.388 0.91 0.8 0.415 0.948 0.9 0.205 0.673434169278997 0.665168490964011 1.3702 0.9925 3188531 PK04_108208 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K11 compound treatment -0.67 -0.148 -0.13 -0.949 -0.416 -0.4 -1.034 -0.565565830721003 -0.55862411995558 -0.6266 -0.8988 3070940 PK04_108209 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K12 compound treatment -0.623 -0.101 -0.09 -0.899 -0.366 -0.35 -0.442 0.026434169278997 0.0261097183530542 -0.2375 -0.6585 3188532 PK04_108210 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K13 compound treatment -0.153 0.369 0.33 -0.368 0.165 0.16 -0.177 0.291434169278997 0.287857129082426 0.4456 0.9625 3188533 PK04_108211 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K14 compound treatment -0.33 0.192 0.17 0.091 0.624 0.59 0.142 0.610434169278997 0.602941748035896 0.7896 0.9142 3070941 PK04_108212 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K15 mock treatment -0.231 0.291 0.26 -0.135 0.398 0.38 -0.222 0.246434169278997 0.243409455562344 0.5082 0.9791 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K16 mock treatment -0.125 0.397 0.35 -0.076 0.457 0.44 -0.164 0.304434169278997 0.300697568099339 0.6279 0.9885 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K17 compound treatment -0.167 0.355 0.31 -0.062 0.471 0.45 -0.059 0.409434169278997 0.404408806312863 0.674 0.9898 3188534 PK04_108213 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K18 compound treatment 0.582 1.1 0.98 0.429 0.962 0.92 -0.022 0.446434169278997 0.440954671207153 1.3475 0.9557 3070942 PK04_108214 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K19 compound treatment -0.361 0.161 0.14 -0.323 0.21 0.2 -0.12 0.348434169278997 0.344157515541196 0.3966 0.9379 3188535 PK04_108215 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K20 compound treatment 0.179 0.701 0.62 -0.634 -0.101 -0.1 0.075 0.543434169278997 0.536764100794885 0.6124 0.7416 3070943 PK04_108216 CC(C)Oc1ccc(cc1)C(=O)N2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K21 compound treatment -0.073 0.449 0.4 -0.108 0.425 0.4 -0.347 0.121434169278997 0.119943695784338 0.5324 0.9182 3188536 PK04_108217 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K22 compound treatment 0.099 0.621 0.55 0.129 0.662 0.63 0.051 0.519434169278997 0.513058674917508 0.9776 0.9962 3188537 PK04_108218 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Br)cc3)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K23 mock treatment -0.086 0.436 0.39 -0.262 0.271 0.26 -0.333 0.135434169278997 0.133771860879475 0.4491 0.9295 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 K24 mock treatment -0.338 0.184 0.16 -0.183 0.35 0.33 0.0 0.468434169278997 0.462684644928082 0.5538 0.9336 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L01 compound treatment -0.175 0.347 0.31 -0.392 0.141 0.13 -0.75 -0.281565830721003 -0.278109913739951 0.0944 0.2166 3070944 PK04_108219 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L02 compound treatment -0.186 0.336 0.3 -0.245 0.288 0.27 -0.477 -0.00856583072100298 -0.00846069438478731 0.3253 0.8036 3188538 PK04_108220 CCCC[C@H]1OB(O)C[C@H]2C1=C(C)Cn3n2c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L03 compound treatment -1.067 -0.545 -0.48 -0.802 -0.269 -0.26 -0.818 -0.349565830721003 -0.345275287059186 -0.6252 -0.9686 3188539 PK04_108221 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L04 compound treatment -0.764 -0.242 -0.21 -0.429 0.104 0.1 -0.626 -0.157565830721003 -0.15563188004017 -0.1559 -0.5525 3215882 PK04_108222 CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn3n2c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L05 compound treatment -0.43 0.0924 0.08 -0.557 -0.024 -0.02 -0.238 0.230434169278997 0.227605838310759 0.1654 0.681 3188540 PK04_108223 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L06 compound treatment -0.367 0.155 0.14 -0.589 -0.056 -0.05 -0.725 -0.256565830721003 -0.25341676178435 -0.0977 -0.3334 3215880 PK04_108224 CCCC[C@H]1OB(O)C[C@H]2C1=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L07 mock treatment -0.756 -0.234 -0.21 0.153 0.686 0.65 0.453 0.921434169278997 0.910124558363574 0.7836 0.6877 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L08 mock treatment 0.116 0.638 0.56 -0.149 0.384 0.37 0.99 1.458434169279 1.44053346236989 1.3688 0.861 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L09 compound treatment -0.529 -0.00655 -0.01 -0.711 -0.178 -0.17 -0.854 -0.385565830721003 -0.380833425875252 -0.3211 -0.7702 3188541 PK04_108225 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L10 compound treatment 0.231 0.753 0.67 0.049 0.582 0.55 -0.129 0.339434169278997 0.33526798083718 0.8983 0.9666 3188542 PK04_108226 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L11 compound treatment 0.036 0.558 0.49 -0.7 -0.167 -0.16 -0.623 -0.154565830721003 -0.152668701805498 0.1051 0.1943 3070947 PK04_108227 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L12 compound treatment -0.527 -0.00455 0.0 -0.702 -0.169 -0.16 -0.675 -0.206565830721003 -0.204030457873148 -0.213 -0.8197 3188543 PK04_108228 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L13 compound treatment 0.855 1.38 1.22 0.186 0.719 0.69 0.478 0.946434169278997 0.934817710319175 1.6383 0.9745 3188544 PK04_108229 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L14 compound treatment 0.158 0.68 0.6 -0.087 0.446 0.42 0.802 1.270434169279 1.25484095966377 1.3171 0.9052 3070948 PK04_108230 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L15 mock treatment -0.322 0.2 0.18 -0.194 0.339 0.32 -0.343 0.125434169278997 0.123894600097235 0.3603 0.927 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L16 mock treatment 0.75 1.27 1.12 0.446 0.979 0.93 -0.041 0.427434169278997 0.422187875720896 1.4317 0.9413 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L17 compound treatment 0.167 0.689 0.61 -0.392 0.141 0.13 0.644 1.112434169279 1.09878023930437 1.0639 0.8419 3188657 PK04_108231 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5cccc(c5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L18 compound treatment 0.282 0.804 0.71 0.263 0.796 0.76 0.369 0.837434169278997 0.827155567792754 1.326 0.9981 3070949 PK04_108232 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L19 compound treatment 0.171 0.693 0.61 -0.029 0.504 0.48 0.136 0.604434169278997 0.597015391566552 0.9759 0.9945 3188658 PK04_108233 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L20 compound treatment 0.318 0.84 0.74 0.115 0.648 0.62 0.284 0.752434169278997 0.74319885114371 1.2145 0.9964 3070950 PK04_108234 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L21 compound treatment -0.032 0.49 0.43 -0.227 0.306 0.29 0.485 0.953434169278997 0.941731792866743 0.9624 0.8936 3188659 PK04_108235 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4cccc(NC(=O)OCC5c6ccccc6-c7ccccc57)c4)c8ccc(I)cc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L22 compound treatment 0.422 0.944 0.83 0.021 0.554 0.53 0.536 1.004434169279 0.992105822856169 1.3596 0.9711 3070951 PK04_108236 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L23 mock treatment -0.093 0.429 0.38 0.09 0.623 0.59 0.926 1.394434169279 1.37731899336355 1.3571 0.8772 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 L24 mock treatment 0.044 0.566 0.5 0.379 0.912 0.87 -0.092 0.376434169278997 0.37181384573147 1.0054 0.94 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M01 compound treatment -1.61 -1.09 -0.96 -1.054 -0.521 -0.5 -1.0 -0.531565830721003 -0.525041433295962 -1.1448 -0.9519 3188660 PK04_108237 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M02 compound treatment -0.585 -0.0626 -0.06 -0.489 0.044 0.04 -0.367 0.101434169278997 0.100189174219858 0.0501 0.4114 3070952 PK04_108238 CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M03 compound treatment -0.593 -0.0706 -0.06 -0.407 0.126 0.12 0.031 0.499434169278997 0.493304153353027 0.3181 0.6219 3188661 PK04_108239 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M04 compound treatment -0.295 0.227 0.2 -0.245 0.288 0.27 -0.023 0.445434169278997 0.439966945128929 0.5285 0.9504 3070953 PK04_108240 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M05 compound treatment -1.079 -0.557 -0.49 -0.768 -0.235 -0.22 -0.75 -0.281565830721003 -0.278109913739951 -0.5739 -0.944 3188662 PK04_108241 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@@H]2[C@@H](O)Cc3ccccc3)/C=C/C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M06 compound treatment -0.825 -0.303 -0.27 -0.222 0.311 0.3 -0.685 -0.216565830721003 -0.213907718655389 -0.1069 -0.2359 3070954 PK04_108242 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M07 compound treatment 0.166 0.688 0.61 -0.238 0.295 0.28 -0.327 0.141434169278997 0.139698217348819 0.5943 0.8679 3188663 PK04_108243 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M08 compound treatment 0.246 0.768 0.68 -0.174 0.359 0.34 0.04 0.508434169278997 0.502193688057043 0.8797 0.9651 3188664 PK04_108244 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)Nc3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M09 mock treatment -0.29 0.232 0.21 0.113 0.646 0.62 -0.264 0.204434169278997 0.201924960276934 0.5906 0.869 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M10 mock treatment -0.203 0.319 0.28 -0.182 0.351 0.33 -0.222 0.246434169278997 0.243409455562344 0.4967 0.9917 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M11 compound treatment -0.769 -0.247 -0.22 -0.722 -0.189 -0.18 -0.797 -0.328565830721003 -0.324533039416481 -0.4171 -0.9692 3070955 PK04_108245 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M12 compound treatment 0.017 0.539 0.48 -0.324 0.209 0.2 -0.515 -0.046565830721003 -0.045994285357301 0.3638 0.7011 3188665 PK04_108246 CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M13 mock treatment -0.367 0.155 0.14 -0.44 0.093 0.09 -0.261 0.207434169278997 0.204888138511606 0.2488 0.9491 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M14 mock treatment -0.783 -0.261 -0.23 -0.516 0.017 0.02 -0.397 0.071434169278997 0.0705573918731362 -0.0829 -0.3432 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M15 compound treatment -0.964 -0.442 -0.39 -0.57 -0.037 -0.04 -0.738 -0.269565830721003 -0.266257200801263 -0.3994 -0.843 3188666 PK04_108247 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M16 compound treatment -0.233 0.289 0.26 0.039 0.572 0.54 -0.07 0.398434169278997 0.393543819452399 0.6896 0.9587 3070994 PK04_108248 CC(C)Oc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M17 compound treatment -2.088 -1.57 -1.38 -2.068 -1.53 -1.46 -1.542 -1.073565830721 -1.06038896769339 -2.2556 -0.9912 3188667 PK04_108249 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4ccccc4Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M18 compound treatment -0.387 0.135 0.12 -0.124 0.409 0.39 0.02 0.488434169278997 0.482439166492563 0.5727 0.9067 3070995 PK04_108250 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4OCOc4c3)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M19 compound treatment -0.701 -0.179 -0.16 -1.344 -0.811 -0.77 -1.508 -1.039565830721 -1.02680628103378 -1.13 -0.8728 3188668 PK04_108251 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c2ccccc2)[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M20 compound treatment 0.551 1.07 0.95 0.147 0.68 0.65 0.143 0.611434169278997 0.60392947411412 1.2706 0.9788 2133134 PK04_108252 CCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M21 compound treatment -1.761 -1.24 -1.1 -2.0 -1.47 -1.4 -1.865 -1.396565830721 -1.37942449095976 -2.2355 -0.9943 3070996 PK04_108253 O[C@@H](Cc1ccccc1)[C@@H](/C=C/c2ccccc2)N(CC#C)Cc3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M22 compound treatment 0.048 0.57 0.5 -0.531 0.00205 0.0 -0.523 -0.054565830721003 -0.0538960939830934 0.2612 0.5149 2133147 PK04_108254 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCCO4)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M23 compound treatment -1.295 -0.773 -0.68 -1.382 -0.849 -0.81 -1.333 -0.864565830721003 -0.853954217344569 -1.3543 -0.9957 3070997 PK04_108255 CCCC/C=C/[C@H]([C@@H](O)Cc1ccccc1)N(CC#Cc2ccccc2)Cc3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 M24 compound treatment -0.4 0.122 0.11 -0.68 -0.147 -0.14 -0.615 -0.146565830721003 -0.144766893179705 -0.1019 -0.4457 3188671 PK04_108256 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCCc3c[nH]c4ccccc34)[C@@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N01 compound treatment -0.366 0.156 0.14 -0.84 -0.307 -0.29 -0.615 -0.146565830721003 -0.144766893179705 -0.1726 -0.4869 3188672 PK04_108257 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(OC(=O)OC(C)(C)C)cc4)c5ccc(I)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N02 compound treatment -1.197 -0.675 -0.6 -0.817 -0.284 -0.27 -0.727 -0.258565830721003 -0.255392213940798 -0.6479 -0.9218 3070998 PK04_108258 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N03 compound treatment 1.94 2.46 1.51 1.52 2.05 1.57 1.367 1.835434169279 1.54289071364281 2.6661 0.9999 3188673 PK04_108259 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N04 compound treatment -0.529 -0.00655 -0.01 -0.604 -0.071 -0.07 -0.564 -0.0955658307210029 -0.0943928631902791 -0.0969 -0.8333 3070999 PK04_108260 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N05 compound treatment -0.036 0.486 0.43 0.049 0.582 0.55 0.078 0.546434169278997 0.539727279029557 0.88 0.9941 3188674 PK04_108261 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N06 compound treatment -0.871 -0.349 -0.31 -1.138 -0.605 -0.58 -1.098 -0.629565830721003 -0.621838588961919 -0.8697 -0.9641 3071000 PK04_108262 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)CCc3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N07 compound treatment -0.758 -0.236 -0.21 -0.312 0.221 0.21 -0.18 0.288434169278997 0.284893950847754 0.1658 0.4035 3188675 PK04_108263 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N08 compound treatment -0.453 0.0694 0.06 -0.325 0.208 0.2 -0.422 0.046434169278997 0.0458642399175351 0.1764 0.8299 3188676 PK04_108264 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N09 mock treatment -0.476 0.0464 0.04 -0.429 0.104 0.1 -0.443 0.025434169278997 0.0251219922748302 0.0954 0.8661 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N10 mock treatment -0.031 0.491 0.43 -0.185 0.348 0.33 -0.089 0.379434169278997 0.374777023966142 0.6587 0.9939 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N11 compound treatment -0.933 -0.411 -0.36 -0.86 -0.327 -0.31 -0.941 -0.472565830721003 -0.466765594680744 -0.6589 -0.9859 3071001 PK04_108265 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N12 compound treatment 0.095 0.617 0.55 -0.062 0.471 0.45 -0.02 0.448434169278997 0.442930123363601 0.83 0.9952 3188677 PK04_108266 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N13 mock treatment -0.62 -0.0976 -0.09 -0.503 0.03 0.03 -0.414 0.054434169278997 0.0537660485433275 -0.0022 -0.0211 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N14 mock treatment -0.649 -0.127 -0.11 -0.419 0.114 0.11 -0.415 0.053434169278997 0.0527783224651034 0.0286 0.1737 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N15 compound treatment -0.162 0.36 0.32 -0.067 0.466 0.44 0.181 0.649434169278997 0.641463065086634 0.8107 0.962 3071002 PK04_108267 OCC1CC(=NO1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N16 compound treatment -0.929 -0.407 -0.36 -0.741 -0.208 -0.2 -0.814 -0.345565830721003 -0.34132438274629 -0.519 -0.9722 3188788 PK04_108268 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N17 compound treatment -0.518 0.00445 0.0 -0.395 0.138 0.13 -0.185 0.283434169278997 0.279955320456634 0.2398 0.7753 3071004 PK04_108269 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N18 compound treatment -0.571 -0.0486 -0.04 -0.703 -0.17 -0.16 -0.886 -0.417565830721003 -0.412440660378421 -0.3564 -0.8006 3071005 PK04_108270 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N19 compound treatment -0.855 -0.333 -0.29 -0.391 0.142 0.14 -0.31 0.158434169278997 0.156489560678628 -0.0013 -0.0035 3414065 PK04_108271 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N20 compound treatment -0.385 0.137 0.12 -0.28 0.253 0.24 0.32 0.788434169278997 0.778756989959776 0.659 0.7995 3188790 PK04_108272 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N21 compound treatment -0.375 0.147 0.13 0.282 0.815 0.78 -0.312 0.156434169278997 0.15451410852218 0.6128 0.7637 3071008 PK04_108273 CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3=C2CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)C1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N22 compound treatment -0.565 -0.0426 -0.04 -0.679 -0.146 -0.14 -0.556 -0.087565830721003 -0.0864910545644869 -0.1519 -0.9043 3188791 PK04_108274 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N23 compound treatment -0.227 0.295 0.26 -0.362 0.171 0.16 -0.409 0.059434169278997 0.0587046789344477 0.2788 0.8895 3188792 PK04_108275 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 N24 compound treatment 0.2 0.722 0.64 0.131 0.664 0.63 0.195 0.663434169278997 0.65529123018177 1.1123 0.9999 3188793 PK04_108276 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O01 compound treatment -0.904 -0.382 -0.34 -0.632 -0.099 -0.09 -0.988 -0.519565830721003 -0.513188720357274 -0.5455 -0.8779 3071055 PK04_108277 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O02 compound treatment -0.609 -0.0866 -0.08 -0.237 0.296 0.28 -0.406 0.062434169278997 0.0616678571691198 0.1543 0.5165 2129060 PK04_108278 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCC3CCCCC3)[C@@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O03 compound treatment -1.157 -0.635 -0.56 -1.06 -0.527 -0.5 -1.09 -0.621565830721003 -0.613936780336126 -0.9682 -0.9967 3188794 PK04_108279 O[C@@H](Cc1ccccc1)[C@H](NCc2cccc(Cl)c2)/C=C/C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O04 compound treatment -0.104 0.418 0.37 -0.346 0.187 0.18 -0.508 -0.039565830721003 -0.0390802028097327 0.2939 0.7125 2129057 PK04_108280 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC[C@@H]3CCCO3)[C@@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O05 compound treatment -1.137 -0.615 -0.54 -0.714 -0.181 -0.17 -0.863 -0.394565830721003 -0.389722960579268 -0.6382 -0.9243 3188796 PK04_108281 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4cccc(Cl)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O06 compound treatment 0.185 0.707 0.63 -0.391 0.142 0.14 -0.13 0.338434169278997 0.334280254758956 0.6322 0.8757 2129061 PK04_108282 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC3CCCCCC3)[C@@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O07 compound treatment -0.878 -0.356 -0.31 -0.818 -0.285 -0.27 -0.649 -0.180565830721003 -0.178349579839323 -0.4412 -0.9761 3071060 PK04_108283 O[C@@H](Cc1ccccc1)[C@H](NCc2ccccc2Br)/C=C/c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O08 compound treatment 0.039 0.561 0.5 -0.534 -9.52E-4 0.0 -0.021 0.447434169278997 0.441942397285377 0.5412 0.8143 2129067 PK04_108284 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccccc3F)[C@@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O09 compound treatment -0.628 -0.106 -0.09 -0.889 -0.356 -0.34 -0.681 -0.212565830721003 -0.209956814342492 -0.3709 -0.9054 3188797 PK04_108285 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC=C3CN2Cc4cccc(Cl)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O10 compound treatment -0.493 0.0294 0.03 -0.918 -0.385 -0.37 -0.685 -0.216565830721003 -0.213907718655389 -0.3202 -0.7528 2129068 PK04_108286 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccc(F)cc3)[C@@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O11 mock treatment -0.574 -0.0516 -0.05 0.066 0.599 0.57 -0.186 0.282434169278997 0.27896759437841 0.4642 0.7289 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O12 mock treatment -0.542 -0.0196 -0.02 -0.406 0.127 0.12 -0.513 -0.044565830721003 -0.0440188332008529 0.0345 0.2654 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O13 compound treatment -0.887 -0.365 -0.32 -0.798 -0.265 -0.25 -0.955 -0.486565830721003 -0.48059375977588 -0.6093 -0.9651 3188798 PK04_108287 COC1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c3ccccc3)[C@H](Cc4ccccc4)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O14 compound treatment -0.72 -0.198 -0.17 -0.523 0.01 0.01 -0.489 -0.020565830721003 -0.0203134073234758 -0.107 -0.6079 3071064 PK04_108288 CCCC(=O)N(CCc1c[nH]c2ccccc12)[C@@H]3CC(=C[C@H](Oc4c(I)cc(CO)cc4OC)[C@H]3O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O15 compound treatment -0.269 0.253 0.22 -0.514 0.019 0.02 -0.37 0.098434169278997 0.0972259959851854 0.196 0.8001 3188799 PK04_108289 CN1C(=O)C2C3[C@H]([C@@H](O)Cc4ccccc4)N(Cc5cccc(Cl)c5)CC3=CC(C6CC6)C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O16 compound treatment -0.8 -0.278 -0.25 -0.854 -0.321 -0.31 -1.129 -0.660565830721003 -0.652458097386864 -0.6949 -0.9129 2133032 PK04_108290 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4ccc(cc4)C(F)(F)F)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O17 compound treatment -0.6 -0.0776 -0.07 -0.25 0.283 0.27 -0.085 0.383434169278997 0.378727928279038 0.3348 0.7123 3071066 PK04_108291 O[C@@H](Cc1ccccc1)[C@H](N(CC#C)CC2=CCCCC2)c3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O18 compound treatment -0.228 0.294 0.26 -0.359 0.174 0.17 -0.013 0.455434169278997 0.449844205911169 0.5057 0.927 2133035 PK04_108292 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O19 compound treatment 0.063 0.585 0.52 -0.115 0.418 0.4 0.645 1.113434169279 1.09976796538259 1.1637 0.9098 3071068 PK04_108293 O=C(Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O20 compound treatment 0.195 0.717 0.63 -0.387 0.146 0.14 0.174 0.642434169278997 0.634548982539065 0.8129 0.8953 2133267 PK04_108294 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(Cc3ccc(F)cc3)C(=O)C4CCCO4)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O21 compound treatment -0.699 -0.177 -0.16 -0.848 -0.315 -0.3 -0.587 -0.118565830721003 -0.117110562989432 -0.331 -0.9247 3071112 PK04_108295 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4cccc(Cl)c4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O22 compound treatment -0.069 0.453 0.4 -0.261 0.272 0.26 -0.206 0.262434169278997 0.259213072813929 0.5307 0.9771 2133153 PK04_108296 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCOC4)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O23 compound treatment -0.825 -0.303 -0.27 -1.281 -0.748 -0.71 -1.014 -0.545565830721003 -0.538869598391099 -0.8769 -0.9404 3188804 PK04_108297 Clc1cccc(CN2CC3=CCCC=CC3[C@@H]2[C@H](Cc4ccccc4)OC(=O)C=C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 O24 compound treatment -0.641 -0.119 -0.1 -0.53 0.00305 0.0 -0.754 -0.285565830721003 -0.282060818052848 -0.2217 -0.7367 2132929 PK04_108298 CC/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P01 compound treatment 0.078 0.6 0.53 -0.303 0.23 0.22 0.389 0.857434169278997 0.846910089357235 0.922 0.901 3188805 PK04_108299 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P02 compound treatment -0.426 0.0964 0.09 -0.225 0.308 0.29 -0.298 0.170434169278997 0.168342273617317 0.3159 0.9053 3071118 PK04_108300 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P03 compound treatment -0.515 0.00745 0.01 -0.226 0.307 0.29 0.024 0.492434169278997 0.486390070805459 0.4535 0.799 3188806 PK04_108301 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P04 compound treatment -0.472 0.0504 0.04 -0.179 0.354 0.34 -0.267 0.201434169278997 0.198961782042262 0.3354 0.8509 3071120 PK04_108302 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P05 compound treatment -0.02 0.502 0.44 -0.206 0.327 0.31 0.095 0.563434169278997 0.556518622359366 0.7577 0.9748 3188807 PK04_108303 COc1ccc(cc1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P06 compound treatment -0.434 0.0884 0.08 -0.109 0.424 0.4 -0.131 0.337434169278997 0.333292528680732 0.4708 0.8891 3188808 PK04_108304 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P07 compound treatment -0.31 0.212 0.19 -0.454 0.079 0.08 -0.103 0.365434169278997 0.360948858871005 0.3603 0.8707 3071124 PK04_108305 COc1cccc(c1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P08 compound treatment 0.01 0.532 0.47 -0.271 0.262 0.25 -0.362 0.106434169278997 0.105127804610978 0.4766 0.8776 3188923 PK04_108306 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P09 compound treatment 0.41 0.932 0.82 0.206 0.739 0.7 0.214 0.682434169278997 0.674058025668027 1.2716 0.9961 3188924 PK04_108307 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(Br)cc5)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P10 compound treatment -0.349 0.173 0.15 -0.34 0.193 0.18 -0.269 0.199434169278997 0.196986329885814 0.3084 0.9948 3071127 PK04_108308 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P11 mock treatment -0.105 0.417 0.37 -0.313 0.22 0.21 -0.289 0.179434169278997 0.177231808321333 0.4364 0.9489 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P12 mock treatment -0.632 -0.11 -0.1 -0.277 0.256 0.24 -0.194 0.274434169278997 0.271065785752617 0.2414 0.6398 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P13 compound treatment -0.115 0.407 0.36 0.522 1.06 1.01 0.525 0.993434169278997 0.981240835995705 1.3548 0.9343 3188925 PK04_108309 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(N)cc5)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P14 compound treatment -0.551 -0.0286 -0.03 -0.767 -0.234 -0.22 -0.405 0.063434169278997 0.0626555832473438 -0.1071 -0.4598 3071425 PK04_108310 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P15 compound treatment -0.377 0.145 0.13 -0.333 0.2 0.19 -0.427 0.041434169278997 0.0409256095264149 0.2079 0.8903 3188926 PK04_108311 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(nc5)C(F)(F)F)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P16 compound treatment -0.591 -0.0686 -0.06 -0.182 0.351 0.33 -0.144 0.324434169278997 0.320452089663819 0.3431 0.7345 3215868 PK04_108312 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P17 compound treatment -0.296 0.226 0.2 -0.659 -0.126 -0.12 -0.375 0.093434169278997 0.0922873655940652 0.0996 0.3968 3188927 PK04_108313 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)F)C(=O)N(C)c3ccccc32 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P18 compound treatment -0.653 -0.131 -0.12 -0.394 0.139 0.13 0.782 1.250434169279 1.23508643809928 0.7229 0.5795 3215866 PK04_108314 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P19 compound treatment -0.096 0.426 0.38 -0.618 -0.085 -0.08 1.051 1.519434169279 1.46495851765037 1.0167 0.6712 3071435 PK04_108315 COC(=O)C[C@H]1O[C@@]2(C[C@@H]1[Si](C)(C)C)C(=O)N(C)c3ccccc32 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P20 compound treatment -0.495 0.0274 0.02 -0.276 0.257 0.24 -0.588 -0.119565830721003 -0.118098289067656 0.0872 0.3195 3071437 PK04_108316 OB1OC(CCc2ccccc2)CC=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P21 compound treatment 0.242 0.764 0.68 0.0 0.533 0.51 0.13 0.598434169278997 0.591089035097207 1.0246 0.9933 3188929 PK04_108317 COC(=O)C/C=C/C[C@]1(O)C(=O)N(C)c2ccccc21 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P22 compound treatment -0.209 0.313 0.28 -0.347 0.186 0.18 -0.105 0.363434169278997 0.358973406714557 0.4696 0.9644 3071483 PK04_108318 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P23 compound treatment -1.267 -0.745 -0.66 -1.179 -0.646 -0.62 -0.881 -0.412565830721003 -0.407502029987301 -0.9706 -0.9814 3188930 PK04_108319 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO[Si](C(C)C)(C(C)C)C(C)C)nn2)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2108 P24 compound treatment -0.565 -0.0426 -0.04 -0.582 -0.049 -0.05 -0.463 0.00543416927899698 0.00536747071034927 -0.0455 -0.7571 3071486 PK04_108320 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A01 compound treatment -0.841 -0.319 -0.28 -0.478 0.055 0.05 -0.716 -0.247565830721003 -0.244527227080334 -0.2735 -0.7262 3131442 CMLD2_000001 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A02 compound treatment -0.262 0.26 0.23 -0.301 0.232 0.22 -0.189 0.279434169278997 0.276004416143737 0.4199 0.9951 3131443 CMLD2_000002 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A03 compound treatment -0.493 0.0294 0.03 -0.541 -0.00795 -0.01 -0.368 0.100434169278997 0.0992014481416335 0.0679 0.6605 3010137 CMLD2_000003 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOC)O3)O2)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A04 compound treatment -0.508 0.0144 0.01 -0.316 0.217 0.21 -0.289 0.179434169278997 0.177231808321333 0.2291 0.8402 3131444 CMLD2_000004 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A05 compound treatment -0.739 -0.217 -0.19 -0.783 -0.25 -0.24 -0.407 0.061434169278997 0.0606801310908958 -0.213 -0.6837 3131445 CMLD2_000005 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A06 compound treatment -1.097 -0.575 -0.51 -0.778 -0.245 -0.23 -0.958 -0.489565830721003 -0.483556938010553 -0.7072 -0.9568 3010139 CMLD2_000006 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A07 compound treatment 0.136 0.658 0.58 -0.284 0.249 0.24 -0.339 0.129434169278997 0.127845504410131 0.5469 0.8525 3131446 CMLD2_000007 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4cccc(c4)C(F)(F)F)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A08 compound treatment -0.029 0.493 0.44 -0.282 0.251 0.24 -0.208 0.260434169278997 0.257237620657481 0.5385 0.9614 3010141 CMLD2_000008 COCn1c2ccccc2c3nnc(nc13)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A09 compound treatment -0.158 0.364 0.32 -0.577 -0.044 -0.04 -0.333 0.135434169278997 0.133771860879475 0.2391 0.6804 3010141 CMLD2_000009 COCn1c2ccccc2c3nnc(nc13)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A10 compound treatment 0.2 0.722 0.64 0.317 0.85 0.81 0.891 1.359434169279 1.34274858062571 1.6115 0.9518 3010142 CMLD2_000010 CC(C)[C@H](O)C1=CCCCC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A11 compound treatment -0.203 0.319 0.28 -0.536 -0.00295 0.0 -0.385 0.083434169278997 0.0824101048118247 0.209 0.7104 3131447 CMLD2_000011 O=C(OCc1ccccc1)C(C2CCCC(=O)C2)C(=O)OCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A12 compound treatment -0.367 0.155 0.14 -0.308 0.225 0.21 -0.338 0.130434169278997 0.128833230488355 0.2775 0.9724 3010143 CMLD2_000012 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A13 mock treatment -0.453 0.0694 0.06 -0.547 -0.014 -0.01 -0.619 -0.150565830721003 -0.148717797492602 -0.0581 -0.3598 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A14 mock treatment -0.227 0.295 0.26 -0.478 0.055 0.05 -0.354 0.114434169278997 0.11302961323677 0.2463 0.8512 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A15 compound treatment -1.076 -0.554 -0.49 -0.899 -0.366 -0.35 -0.796 -0.327565830721003 -0.323545313338257 -0.6706 -0.9827 3131448 CMLD2_000013 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A16 compound treatment -0.492 0.0304 0.03 -0.383 0.15 0.14 -0.566 -0.0975658307210029 -0.0963683153467272 0.0424 0.2432 3131449 CMLD2_000014 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A17 compound treatment -0.378 0.144 0.13 -0.873 -0.34 -0.32 -0.471 -0.00256583072100297 -0.00253433791544304 -0.1147 -0.3295 3010159 CMLD2_000015 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A18 mock treatment -0.718 -0.196 -0.17 -0.417 0.116 0.11 -0.583 -0.114565830721003 -0.113159658676536 -0.1013 -0.4324 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A19 compound treatment -0.147 0.375 0.33 -0.254 0.279 0.27 -0.479 -0.010565830721003 -0.0104361465412354 0.3391 0.7971 3131450 CMLD2_000016 COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A20 compound treatment -0.433 0.0894 0.08 -0.314 0.219 0.21 -0.333 0.135434169278997 0.133771860879475 0.2434 0.9354 3010162 CMLD2_000017 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C[C@@H](O)CN=[N+]=[N-])c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A21 compound treatment -0.455 0.0674 0.06 -0.727 -0.194 -0.18 -0.863 -0.394565830721003 -0.389722960579268 -0.2973 -0.6827 3131451 CMLD2_000018 COc1ccc(OC[C@H]2Cc3c(nc4CCN(CCOc5ccccc5)Cc4c3CO2)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A22 compound treatment -0.175 0.347 0.31 -0.23 0.303 0.29 0.174 0.642434169278997 0.634548982539065 0.7104 0.9325 3131452 CMLD2_000019 COC(=O)C1=C(C(=O)OC)[C@]23O[C@]1(C(=O)OC)C(=O)N3[C@@H](C(=C(C)N2Cc4ccccc4)C(=O)OC)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A23 compound treatment -0.119 0.403 0.36 -0.462 0.071 0.07 -0.54 -0.071565830721003 -0.0706874373129021 0.2042 0.5521 3010166 CMLD2_000020 COc1cccc(c1)[C@H]2N[C@@H](CC[C@@H]2C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 A24 compound treatment -0.069 0.453 0.4 -0.235 0.298 0.28 -0.092 0.376434169278997 0.37181384573147 0.6101 0.9902 3010168 CMLD2_000021 CCN1C(=C([C@H](N2C(=O)[C@@](O)([C@H](C(=C12)C(=O)C)c3ccccc3)C(=O)OC)c4ccccc4)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B01 compound treatment -0.547 -0.0246 -0.02 -0.264 0.269 0.26 -0.56 -0.0915658307210031 -0.090441958877383 0.0832 0.3052 3131453 CMLD2_000022 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B02 compound treatment -1.025 -0.503 -0.44 -0.828 -0.295 -0.28 -0.916 -0.447565830721003 -0.442072442725143 -0.674 -0.9812 3131569 CMLD2_000023 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B03 compound treatment -0.412 0.11 0.1 0.193 0.726 0.69 -0.395 0.073434169278997 0.0725328440295843 0.4976 0.7085 3131570 CMLD2_000024 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B04 compound treatment -0.236 0.286 0.25 -0.58 -0.047 -0.04 -0.667 -0.198565830721003 -0.196128649247356 0.0072 0.0221 3010172 CMLD2_000025 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B05 compound treatment -0.649 -0.127 -0.11 -0.537 -0.00395 0.0 -0.517 -0.048565830721003 -0.0479697375137491 -0.0945 -0.7756 3131571 CMLD2_000026 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B06 compound treatment -0.443 0.0794 0.07 -0.276 0.257 0.24 -0.833 -0.364565830721003 -0.360091178232547 -0.026 -0.0589 3010200 CMLD2_000027 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B07 compound treatment -0.737 -0.215 -0.19 -0.187 0.346 0.33 -0.588 -0.119565830721003 -0.118098289067656 0.0126 0.0317 3131572 CMLD2_000028 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B08 compound treatment 1.586 2.11 1.46 0.23 0.763 0.73 0.321 0.789434169278997 0.779744716038 1.7117 0.9477 3010203 CMLD2_000029 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCc2nc1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B09 compound treatment -0.016 0.506 0.45 -0.162 0.371 0.35 -0.113 0.355434169278997 0.351071598088765 0.6653 0.9932 3010205 CMLD2_000030 COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)OC)co1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B10 compound treatment -0.317 0.205 0.18 -0.308 0.225 0.21 -0.246 0.222434169278997 0.219704029684967 0.3555 0.9967 3131573 CMLD2_000031 Cc1cc2C(=O)[C@@H]3O[C@@H]3[C@H](O)c2c(=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B11 compound treatment -0.3 0.222 0.2 -0.473 0.06 0.06 -0.369 0.099434169278997 0.0982137220634094 0.2033 0.8949 3010207 CMLD2_000032 CC1(C)OCC(CO1)C(O)C2=CCCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B12 compound treatment -0.064 0.458 0.41 -0.225 0.308 0.29 -0.093 0.375434169278997 0.370826119653246 0.6175 0.9915 3131574 CMLD2_000033 COC(=O)[C@H](C)NC(=O)[C@@H](C)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B13 mock treatment -0.62 -0.0976 -0.09 -0.408 0.125 0.12 -0.633 -0.164565830721003 -0.162545962587738 -0.0749 -0.3415 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B14 mock treatment -0.293 0.229 0.2 -0.242 0.291 0.28 -0.403 0.065434169278997 0.0646310354037919 0.3145 0.8997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B15 compound treatment -0.694 -0.172 -0.15 -0.543 -0.00995 -0.01 -0.833 -0.364565830721003 -0.360091178232547 -0.3009 -0.77 3010209 CMLD2_000034 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B16 compound treatment -0.387 0.135 0.12 -0.425 0.108 0.1 -0.541 -0.072565830721003 -0.0716751633911262 0.0872 0.5027 2082484 CMLD2_000035 COC(=O)C(C1CCCC(=O)C1)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B17 compound treatment 1.41 1.93 1.43 1.363 1.9 1.54 0.879 1.347434169279 1.33089586768702 2.4825 0.9982 3131575 CMLD2_000036 COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B18 mock treatment -0.237 0.285 0.25 -0.426 0.107 0.1 -0.5 -0.031565830721003 -0.0311783941839403 0.1866 0.681 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B19 compound treatment -0.931 -0.409 -0.36 -0.495 0.038 0.04 -0.571 -0.102565830721003 -0.101306945737847 -0.2461 -0.653 3010212 CMLD2_000037 CO[C@@H]1[C@H](O)CO[C@H]1/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B20 compound treatment -1.098 -0.576 -0.51 -0.984 -0.451 -0.43 -0.829 -0.360565830721003 -0.356140273919651 -0.7474 -0.9897 3131576 CMLD2_000038 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C[C@H](O)CN=[N+]=[N-])c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B21 compound treatment -0.667 -0.145 -0.13 -0.537 -0.00395 0.0 -0.557 -0.088565830721003 -0.0874787806427109 -0.1265 -0.8163 3010215 CMLD2_000039 CC(C)CN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B22 compound treatment 0.525 1.05 0.93 -0.547 -0.014 -0.01 -0.081 0.387434169278997 0.382678832591934 0.7479 0.7464 3131577 CMLD2_000040 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C)C5=O)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B23 compound treatment -0.257 0.265 0.23 -0.362 0.171 0.16 -0.409 0.059434169278997 0.0587046789344477 0.2635 0.9033 3010186 CMLD2_000041 COc1ccc(cc1)c2ccccc2[C@@H]3N[C@@H](CC[C@H]3C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 B24 compound treatment -0.093 0.429 0.38 -0.25 0.283 0.27 -0.039 0.429434169278997 0.424163327877344 0.6198 0.9839 3131578 CMLD2_000042 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3CCOC4=O)C(=O)CC)c5ccccc5)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C01 compound treatment -0.25 0.272 0.24 -0.414 0.119 0.11 -0.231 0.237434169278997 0.234519920858328 0.3399 0.9581 3131579 CMLD2_000043 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCc6cccc7ccccc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C02 compound treatment -0.996 -0.474 -0.42 -0.667 -0.134 -0.13 -0.679 -0.210565830721003 -0.207981362186044 -0.4355 -0.8986 3010248 CMLD2_000044 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C03 compound treatment -0.952 -0.43 -0.38 -0.663 -0.13 -0.12 -0.662 -0.193565830721003 -0.191190018856236 -0.4011 -0.9058 3131580 CMLD2_000045 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C04 compound treatment -0.696 -0.174 -0.15 -0.651 -0.118 -0.11 -1.035 -0.566565830721003 -0.559611846033804 -0.4766 -0.8063 3131581 CMLD2_000046 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCc3ccc4OCOc4c3)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C05 compound treatment -0.288 0.234 0.21 0.08 0.613 0.58 0.224 0.692434169278997 0.683935286450268 0.8517 0.9228 3131582 CMLD2_000047 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C06 compound treatment 0.03 0.552 0.49 0.0 0.533 0.51 -0.106 0.362434169278997 0.357985680636333 0.7819 0.9893 3010252 CMLD2_000048 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C07 compound treatment -0.5 0.0224 0.02 -0.661 -0.128 -0.12 -0.608 -0.139565830721003 -0.137852810632137 -0.1385 -0.7484 3131583 CMLD2_000049 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C08 compound treatment 0.082 0.604 0.53 -0.535 -0.00195 0.0 0.305 0.773434169278997 0.763941098786415 0.7485 0.8029 3010254 CMLD2_000050 Cc1cc2N(CC(O)CN3CCCc4nc(C)c(C)cc34)CCCc2nc1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C09 compound treatment 0.983 1.51 1.33 -0.638 -0.105 -0.1 -0.494 -0.025565830721003 -0.0252520377145961 0.6961 0.5215 3131584 CMLD2_000051 C[C@@H]1CC[C@@H]2N(C[C@@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C10 compound treatment -0.089 0.433 0.38 0.493 1.03 0.98 0.437 0.905434169278997 0.894320941111989 1.3019 0.944 3010257 CMLD2_000052 Cc1cc2C(=O)[C@@H]3O[C@@H]3[C@@H](O)c2c(=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C11 mock treatment -0.781 -0.259 -0.23 -0.23 0.303 0.29 -0.32 0.148434169278997 0.146612299896388 0.1194 0.3011 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C12 mock treatment 0.48 1.0 0.89 -0.141 0.392 0.37 -0.459 0.00943416927899698 0.00931837502324545 0.7327 0.7618 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C13 compound treatment -0.421 0.101 0.09 -0.487 0.046 0.04 -0.586 -0.117565830721003 -0.116122836911208 0.0101 0.0657 3010259 CMLD2_000053 OC(CCOCc1ccccc1)C2=CCCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C14 compound treatment -0.305 0.217 0.19 -0.644 -0.111 -0.11 -0.537 -0.068565830721003 -0.06772425907823 0.0109 0.0473 1304363 CMLD2_000054 C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C15 mock treatment -0.15 0.372 0.33 -0.33 0.203 0.19 -0.366 0.102434169278997 0.101176900298082 0.3602 0.9118 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C16 mock treatment -0.295 0.227 0.2 -0.126 0.407 0.39 -0.316 0.152434169278997 0.150563204209284 0.4269 0.924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C17 compound treatment -0.236 0.286 0.25 -0.035 0.498 0.47 0.0 0.468434169278997 0.462684644928082 0.6873 0.9687 3010233 CMLD2_000055 COc1ccc(cc1)c2cnnc(CCCn3ccnc3c4ccccc4)n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C18 compound treatment -0.714 -0.192 -0.17 -0.667 -0.134 -0.13 -0.155 0.313434169278997 0.309587102803355 0.0073 0.0194 3131585 CMLD2_000056 Cc1ccc(O[C@H]2C=C[C@@H](CC=C)O[C@@H]2COC(=O)NCc3cccc4ccccc34)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C19 compound treatment -0.625 -0.103 -0.09 -0.64 -0.107 -0.1 -0.226 0.242434169278997 0.239458551249448 0.0271 0.0983 3131586 CMLD2_000057 CCCCC#C[C@H]1O[C@H](COC(=O)OCC)[C@@H](Oc2ccc(cc2)C(=O)OC)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C20 compound treatment 0.095 0.617 0.55 -0.824 -0.291 -0.28 0.417 0.885434169278997 0.874566419547508 0.6601 0.6183 3010236 CMLD2_000058 C[C@H]1CC[C@@H]2N(CC(CO)OC2=O)[C@@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C21 compound treatment -0.213 0.309 0.27 -0.203 0.33 0.31 -0.102 0.366434169278997 0.361936584949229 0.5484 0.9936 3131587 CMLD2_000059 CC(C)CN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C22 compound treatment -0.756 -0.234 -0.21 -0.25 0.283 0.27 -0.184 0.284434169278997 0.280943046534858 0.1987 0.4507 3131703 CMLD2_000060 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C5=O)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C23 compound treatment -0.13 0.392 0.35 -0.514 0.019 0.02 -0.307 0.161434169278997 0.1594527389133 0.3029 0.7922 3010240 CMLD2_000061 OC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 C24 compound treatment -0.537 -0.0146 -0.01 -0.427 0.106 0.1 -0.354 0.114434169278997 0.11302961323677 0.1162 0.7635 3131704 CMLD2_000062 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3C(=O)N(C4=O)c5ccccc5)C(=O)OC)c6ccccc6)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D01 compound treatment -0.41 0.112 0.1 -0.473 0.06 0.06 -0.123 0.345434169278997 0.341194337306524 0.2874 0.7985 3010292 CMLD2_000063 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D02 compound treatment -0.722 -0.2 -0.18 -1.432 -0.899 -0.86 -0.956 -0.487565830721003 -0.481581485854104 -0.8743 -0.8759 3131705 CMLD2_000064 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D03 compound treatment -0.632 -0.11 -0.1 -0.747 -0.214 -0.2 -0.551 -0.082565830721003 -0.0815524241733666 -0.2207 -0.9197 3131706 CMLD2_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D04 compound treatment -0.657 -0.135 -0.12 -0.667 -0.134 -0.13 -0.351 0.117434169278997 0.115992791471442 -0.0754 -0.3599 3010296 CMLD2_000066 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D05 compound treatment -0.298 0.224 0.2 0.523 1.06 1.01 -0.529 -0.060565830721003 -0.0598224504524376 0.6609 0.6434 3010274 CMLD2_000067 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D06 compound treatment -0.519 0.00345 0.0 -0.228 0.305 0.29 -0.013 0.455434169278997 0.449844205911169 0.4293 0.8015 3131707 CMLD2_000068 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D07 compound treatment -0.287 0.235 0.21 -0.707 -0.174 -0.17 -0.893 -0.424565830721003 -0.41935474292599 -0.2176 -0.4382 3131708 CMLD2_000069 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4cccc(c4)C(F)(F)F)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D08 compound treatment 0.047 0.569 0.5 1.275 1.81 1.52 -0.411 0.057434169278997 0.0567292267779996 1.2024 0.7494 3010278 CMLD2_000070 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(ccc45)c6ccc(Br)cc6)CCCc3n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D09 compound treatment -0.346 0.176 0.16 -0.671 -0.138 -0.13 -0.101 0.367434169278997 0.362924311027453 0.2237 0.5374 3010279 CMLD2_000071 CN1CCN(CC(O)CN2CCCc3nc(C)c(C)cc23)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D10 compound treatment -0.372 0.15 0.13 -0.4 0.133 0.13 -0.389 0.079434169278997 0.0784592004989285 0.1953 0.9774 3131709 CMLD2_000072 C[C@@H](N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D11 mock treatment -0.036 0.486 0.43 -0.444 0.089 0.08 -0.083 0.385434169278997 0.380703380435486 0.5171 0.8906 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D12 mock treatment -0.191 0.331 0.29 -0.406 0.127 0.12 -0.394 0.074434169278997 0.0735205701078083 0.2815 0.865 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D13 compound treatment -0.388 0.134 0.12 -0.487 0.046 0.04 -0.482 -0.013565830721003 -0.0133993247759075 0.0862 0.6767 3010281 CMLD2_000073 Brc1ccc(cc1)C(=O)OC(CCc2ccccc2)C3=CCCCC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D14 compound treatment -0.247 0.275 0.24 1.026 1.56 1.47 -0.456 0.012434169278997 0.0122815532579176 0.9946 0.6689 3131710 CMLD2_000074 CCOC(=O)CC(C1CCCCC1=O)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D15 mock treatment 0.109 0.631 0.56 -0.443 0.09 0.09 -0.414 0.054434169278997 0.0537660485433275 0.4029 0.7101 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D16 mock treatment -0.205 0.317 0.28 -0.354 0.179 0.17 -0.212 0.256434169278997 0.253286716344584 0.4067 0.9807 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D17 compound treatment -0.489 0.0334 0.03 0.384 0.917 0.87 0.792 1.260434169279 1.24496369888152 1.2402 0.8153 3131711 CMLD2_000075 COC(=O)C/C=C/[C@H](C)[C@H](CO)NS(=O)(=O)c1ccc(C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D18 compound treatment -0.682 -0.16 -0.14 -0.836 -0.303 -0.29 -0.589 -0.120565830721003 -0.11908601514588 -0.3168 -0.9248 3010283 CMLD2_000076 CCCCC#C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D19 compound treatment -0.321 0.201 0.18 -0.663 -0.13 -0.12 -0.836 -0.367565830721003 -0.363054356467219 -0.1783 -0.4215 3131712 CMLD2_000077 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D20 compound treatment -0.536 -0.0136 -0.01 0.333 0.866 0.83 0.33 0.798434169278997 0.788634250742016 0.9247 0.8102 3010285 CMLD2_000078 COC(=O)[C@@H]1CC[C@@H](C)[C@@H](N1)c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D21 compound treatment 0.378 0.9 0.8 -0.75 -0.217 -0.21 -0.03 0.438434169278997 0.43305286258136 0.5903 0.6351 3131713 CMLD2_000079 C[C@@H]1Cc2c(CO1)cnc3CCN(C)Cc32 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D22 compound treatment 0.088 0.61 0.54 -0.75 -0.217 -0.21 -0.1 0.368434169278997 0.363912037105677 0.4024 0.5892 3131714 CMLD2_000080 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]5CCCC(=O)[C@H]53)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D23 compound treatment 0.02 0.542 0.48 -0.507 0.026 0.02 -0.071 0.397434169278997 0.392556093374175 0.5179 0.8349 3010288 CMLD2_000081 COc1cc(cc(OC)c1OC)[C@@H]2N[C@@H](Cc3c2[nH]c4ccccc34)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 D24 compound treatment -0.086 0.436 0.39 -0.415 0.118 0.11 0.122 0.590434169278997 0.583187226471415 0.6244 0.8816 3131715 CMLD2_000082 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]([C@@H]3C(=O)c5ccccc5)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E01 mock treatment -0.56 -0.0376 -0.03 -0.444 0.089 0.08 -0.418 0.050434169278997 0.0498151442304313 0.0586 0.5641 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E02 mock treatment -0.211 0.311 0.28 -0.359 0.174 0.17 0.0 0.468434169278997 0.462684644928082 0.5218 0.9263 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E03 compound treatment -0.213 0.309 0.27 -0.4 0.133 0.13 -0.481 -0.012565830721003 -0.0124115986976835 0.224 0.7422 3010304 CMLD2_000083 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E04 compound treatment -0.492 0.0304 0.03 -0.523 0.01 0.01 -0.635 -0.166565830721003 -0.164521414744186 -0.0739 -0.4427 3131716 CMLD2_000084 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E05 compound treatment -0.304 0.218 0.19 -0.5 0.033 0.03 -0.235 0.233434169278997 0.230569016545431 0.2628 0.869 3131717 CMLD2_000085 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCCc3ccc(F)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E06 compound treatment -0.905 -0.383 -0.34 -0.455 0.078 0.07 -0.783 -0.314565830721003 -0.310704874321345 -0.3317 -0.713 3010306 CMLD2_000086 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E07 compound treatment -0.968 -0.446 -0.39 -0.642 -0.109 -0.1 -0.771 -0.302565830721003 -0.298852161382656 -0.4599 -0.9103 3131718 CMLD2_000087 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E08 compound treatment -0.148 0.374 0.33 -0.11 0.423 0.4 -0.022 0.446434169278997 0.440954671207153 0.6784 0.9933 3131719 CMLD2_000088 Brc1ccc(cc1)c2ccc3N(CCCc3n2)C(=O)NCCCN4=CC=NC4c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E09 mock treatment -0.526 -0.00355 0.0 -0.45 0.083 0.08 -0.509 -0.040565830721003 -0.0400679288879567 0.0207 0.2336 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E10 mock treatment -0.345 0.177 0.16 -0.317 0.216 0.21 -0.262 0.206434169278997 0.203900412433382 0.3271 0.9929 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E11 compound treatment -0.091 0.431 0.38 -0.614 -0.081 -0.08 -0.435 0.033434169278997 0.0330238009006225 0.1948 0.4987 3010320 CMLD2_000089 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)NCc3cccc4ccccc34)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E12 compound treatment -0.448 0.0744 0.07 -0.519 0.014 0.01 -0.424 0.044434169278997 0.043888787761087 0.0711 0.8857 3131720 CMLD2_000090 CC(C)C(=O)N[C@H]1CCCN1C(=O)/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E13 compound treatment -1.889 -1.37 -1.21 -1.463 -0.93 -0.89 -1.704 -1.235565830721 -1.22040059236569 -1.9136 -0.9903 3010323 CMLD2_000091 OC(COCc1ccccc1)C2=CCCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E14 compound treatment -0.675 -0.153 -0.13 -0.464 0.069 0.07 -0.365 0.103434169278997 0.102164626376306 0.0191 0.1052 3131721 CMLD2_000092 COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3ccccc3O[C@]2([C@@H]1c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E15 compound treatment -0.173 0.349 0.31 -0.508 0.025 0.02 -0.278 0.190434169278997 0.188096795181797 0.3007 0.8297 3010326 CMLD2_000093 COc1cc(O)c(C(=O)/C=C/c2ccc3OCOc3c2)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E16 mock treatment -0.431 0.0914 0.08 -0.358 0.175 0.17 -0.096 0.372434169278997 0.367862941418573 0.3553 0.8627 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E17 mock treatment -0.605 -0.0826 -0.07 -0.329 0.204 0.19 -0.265 0.203434169278997 0.20093723419871 0.1861 0.6441 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E18 mock treatment -0.77 -0.248 -0.22 -0.581 -0.048 -0.05 -0.617 -0.148565830721003 -0.146742345336153 -0.2375 -0.8879 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E19 compound treatment -1.079 -0.557 -0.49 -0.873 -0.34 -0.32 -0.942 -0.473565830721003 -0.467753320758968 -0.7411 -0.9853 3131722 CMLD2_000094 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E20 compound treatment -0.81 -0.288 -0.25 -0.913 -0.38 -0.36 -0.844 -0.375565830721003 -0.370956165093011 -0.5699 -0.9873 3131840 CMLD2_000095 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)C(F)(F)F)c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E21 compound treatment -0.485 0.0374 0.03 -0.441 0.092 0.09 -0.4 0.068434169278997 0.067594213638464 0.1088 0.9412 3010332 CMLD2_000096 C1Cc2nc(c3ccccc3)c(cc2CN1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E22 compound treatment -0.339 0.183 0.16 -0.418 0.115 0.11 -0.277 0.191434169278997 0.189084521260021 0.2661 0.9777 3131841 CMLD2_000097 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]5CCOC(=O)[C@H]53)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E23 compound treatment 0.187 0.709 0.63 0.068 0.601 0.57 0.175 0.643434169278997 0.635536708617289 1.0596 0.999 3010340 CMLD2_000098 C[C@H]1CC[C@H](N[C@@H]1c2cccc(CC=C)c2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 E24 compound treatment -0.105 0.417 0.37 -0.128 0.405 0.39 -0.014 0.454434169278997 0.448856479832945 0.695 0.9964 3131842 CMLD2_000099 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3CCCC4=O)C(=O)OC)c5ccccc5)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F01 mock treatment -0.444 0.0784 0.07 -0.298 0.235 0.22 -0.556 -0.087565830721003 -0.0864910545644869 0.1194 0.4778 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F02 mock treatment -0.366 0.156 0.14 -0.434 0.099 0.09 -0.482 -0.013565830721003 -0.0133993247759075 0.1266 0.7537 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F03 compound treatment -0.434 0.0884 0.08 -0.195 0.338 0.32 -0.205 0.263434169278997 0.260200798892153 0.3813 0.905 3131843 CMLD2_000100 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F04 compound treatment -0.722 -0.2 -0.18 -0.221 0.312 0.3 -0.465 0.00343416927899698 0.00339201855390118 0.0717 0.2075 3010347 CMLD2_000101 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F05 compound treatment -0.149 0.373 0.33 0.048 0.581 0.55 0.1 0.568434169278997 0.561457252750486 0.8344 0.9761 3131844 CMLD2_000102 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCCc3ccc(F)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F06 compound treatment -0.712 -0.19 -0.17 -0.333 0.2 0.19 -0.94 -0.471565830721003 -0.46577786860252 -0.2556 -0.482 3131845 CMLD2_000103 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F07 compound treatment -0.571 -0.0486 -0.04 -0.576 -0.043 -0.04 -0.554 -0.085565830721003 -0.0845156024080388 -0.0972 -0.9415 3011245 CMLD2_000104 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F08 compound treatment -0.355 0.167 0.15 -0.381 0.152 0.14 -0.133 0.335434169278997 0.331317076524284 0.3604 0.9223 3010203 CMLD2_000105 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCc2nc1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F09 mock treatment 0.377 0.899 0.8 -0.694 -0.161 -0.15 0.324 0.792434169278997 0.782707894272672 0.8225 0.7303 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F10 mock treatment -0.472 0.0504 0.04 -0.553 -0.02 -0.02 -0.611 -0.142565830721003 -0.140815988866809 -0.0665 -0.4467 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F11 compound treatment -1.303 -0.781 -0.69 -1.532 -0.999 -0.95 -1.324 -0.855565830721003 -0.845064682640553 -1.4358 -0.9917 3011246 CMLD2_000106 C[C@@]12CCC3C(CCc4cc(OCC5CO5)ccc34)C2CC[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F12 compound treatment -0.263 0.259 0.23 -0.288 0.245 0.23 -0.22 0.248434169278997 0.245384907718792 0.4089 0.9996 3011247 CMLD2_000107 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(cc3)c4ccco4)C(=O)[C@@H]5CC[C@@H](C)[C@@H](N5C2=O)c6ccc(cc6)c7ccco7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F13 compound treatment -0.649 -0.127 -0.11 -0.811 -0.278 -0.26 -0.253 0.215434169278997 0.212789947137399 -0.0946 -0.2646 3131846 CMLD2_000108 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(Br)cc3)C(=O)[C@@H]4CC[C@@H](C)[C@@H](N4C2=O)c5ccc(Br)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F14 compound treatment 0.111 0.633 0.56 0.266 0.799 0.76 -0.012 0.456434169278997 0.450831931989393 1.0231 0.9771 3011248 CMLD2_000109 C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F15 compound treatment -0.175 0.347 0.31 -0.188 0.345 0.33 -0.282 0.186434169278997 0.184145890868901 0.4734 0.9739 1946418 CMLD2_000110 Fc1ccc(cc1)C(=O)/C=C/c2ccc3OCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F16 compound treatment -1.0 -0.478 -0.42 -0.783 -0.25 -0.24 -0.972 -0.503565830721003 -0.497385103105689 -0.6684 -0.9624 3011250 CMLD2_000111 OC(CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)C4=CCCCC4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F17 mock treatment -0.254 0.268 0.24 0.16 0.693 0.66 0.305 0.773434169278997 0.763941098786415 0.9593 0.9248 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F18 mock treatment -0.42 0.102 0.09 -0.42 0.113 0.11 -0.491 -0.022565830721003 -0.0222888594799239 0.1016 0.7131 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F19 compound treatment -0.328 0.194 0.17 -0.375 0.158 0.15 -0.4 0.068434169278997 0.067594213638464 0.2252 0.945 3131847 CMLD2_000112 C[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F20 compound treatment -0.621 -0.0986 -0.09 -0.603 -0.07 -0.07 -0.338 0.130434169278997 0.128833230488355 -0.0144 -0.0851 3131848 CMLD2_000113 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1)c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F21 compound treatment 0.215 0.737 0.65 -0.412 0.121 0.12 -0.378 0.090434169278997 0.089324187359393 0.4946 0.7403 3011251 CMLD2_000114 CN1CCc2nc(CO)c(CO)cc2C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F22 compound treatment -0.61 -0.0876 -0.08 -0.742 -0.209 -0.2 -0.533 -0.064565830721003 -0.0637733547653338 -0.1964 -0.8813 3131849 CMLD2_000115 COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23O[C@]1(C(=O)OC)C(=O)N3[C@@H](C(=C(C)N2Cc4ccccc4)C(=O)OC)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F23 compound treatment -0.369 0.153 0.14 -0.333 0.2 0.19 -0.243 0.225434169278997 0.222667207919639 0.3169 0.9813 3011252 CMLD2_000116 C[C@@H]1CC[C@@H]2N([C@H]1c3cccc(c3)N4CCOCC4)C(=O)[C@@H]5CC[C@@H](C)[C@@H](N5C2=O)c6cccc(c6)N7CCOCC7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 F24 compound treatment -0.224 0.298 0.26 -0.269 0.264 0.25 -0.137 0.331434169278997 0.327366172211388 0.4866 0.9931 3131850 CMLD2_000117 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3C(=O)N(C)C4=O)C(=O)OC)c5ccccc5)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G01 compound treatment -0.607 -0.0846 -0.07 -0.687 -0.154 -0.15 -0.875 -0.406565830721003 -0.401575673517957 -0.3597 -0.8288 3131851 CMLD2_000118 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCN3CCOCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G02 compound treatment -1.105 -0.583 -0.52 -0.602 -0.069 -0.07 -0.778 -0.309565830721003 -0.305766243930225 -0.5118 -0.8494 3131852 CMLD2_000119 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G03 mock treatment -0.14 0.382 0.34 -0.489 0.044 0.04 -0.329 0.139434169278997 0.137722765192371 0.299 0.8135 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G04 mock treatment -0.165 0.357 0.32 -0.258 0.275 0.26 -0.2 0.268434169278997 0.265139429283273 0.4868 0.9961 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G05 compound treatment -0.69 -0.168 -0.15 -0.221 0.312 0.3 -0.085 0.383434169278997 0.378727928279038 0.3048 0.605 3011253 CMLD2_000120 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G06 compound treatment 0.0 0.522 0.46 -0.229 0.304 0.29 -0.119 0.349434169278997 0.34514524161942 0.6332 0.9813 3131853 CMLD2_000121 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G07 compound treatment -0.459 0.0634 0.06 0.324 0.857 0.82 -0.271 0.197434169278997 0.195010877729366 0.6164 0.7326 3011254 CMLD2_000122 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OC2CC(CCC3CC(=NO3)CC)OC4(CCCC(COC(=O)NCCC(C)C)O4)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G08 compound treatment 0.434 0.956 0.85 -0.627 -0.094 -0.09 0.117 0.585434169278997 0.578248596080295 0.7704 0.7492 3131854 CMLD2_000123 Cc1ccc(cc1)S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G09 compound treatment -0.549 -0.0266 -0.02 -0.569 -0.036 -0.03 -0.439 0.029434169278997 0.0290728965877263 -0.0165 -0.3264 3131855 CMLD2_000124 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)N3CCCCC3)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G10 compound treatment -0.411 0.111 0.1 -0.208 0.325 0.31 -0.064 0.404434169278997 0.399470175921743 0.4663 0.9055 3011255 CMLD2_000125 O[C@H]1C=C(C=C)C2(OCCCO2)[C@H]3O[C@H]31 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G11 compound treatment -0.402 0.12 0.11 -0.261 0.272 0.26 -0.556 -0.087565830721003 -0.0864910545644869 0.1612 0.5496 3011256 CMLD2_000126 OC(CCc1ccccc1)C2=CCCOC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G12 compound treatment -0.508 0.0144 0.01 -0.289 0.244 0.23 -0.269 0.199434169278997 0.196986329885814 0.2553 0.8372 3131856 CMLD2_000127 C[C@H]1OC=C2[C@H](O)[C@H]3O[C@H]3C(=O)[C@@]42[C@H]5OC(C)[C@@H]([C@H]14)C6=C5[C@H](OC(=O)C)[C@H]7O[C@H]7C6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G13 compound treatment -0.761 -0.239 -0.21 -0.775 -0.242 -0.23 -0.722 -0.253565830721003 -0.250453583549678 -0.3994 -0.9976 3011257 CMLD2_000128 C[C@@H]1CC[C@@H]2N(C[C@H](O)CNC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G14 compound treatment 0.634 1.16 1.02 0.888 1.42 1.35 0.657 1.125434169279 1.11162067832128 2.0137 0.9928 3131857 CMLD2_000129 CC/C=C\CCC(OC(=O)c1ccc(Br)cc1)C2=CCCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G15 compound treatment 0.59 1.11 0.98 -0.659 -0.126 -0.12 -0.97 -0.501565830721003 -0.495409650949241 0.2125 0.1919 3011258 CMLD2_000130 CON(C)C(=O)c1nnc2c3ccccc3n(c2n1)S(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G16 mock treatment -0.049 0.473 0.42 0.031 0.564 0.54 -0.29 0.178434169278997 0.176244082243109 0.6537 0.9291 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G17 compound treatment -0.311 0.211 0.19 0.012 0.545 0.52 0.197 0.665434169278997 0.657266682338218 0.7872 0.9172 3131858 CMLD2_000131 COC(=O)C/C=C/[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G18 compound treatment -0.227 0.295 0.26 -0.214 0.319 0.3 -0.013 0.455434169278997 0.449844205911169 0.586 0.9727 3131859 CMLD2_000132 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCCCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G19 mock treatment -0.339 0.183 0.16 -0.676 -0.143 -0.14 -0.531 -0.062565830721003 -0.0617979026088857 -0.0207 -0.0937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G20 mock treatment -0.044 0.478 0.42 -0.656 -0.123 -0.12 0.25 0.718434169278997 0.709616164484093 0.5863 0.7027 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G21 compound treatment -0.404 0.118 0.1 -0.169 0.364 0.35 -0.488 -0.019565830721003 -0.0193256812452518 0.2495 0.6878 3011259 CMLD2_000133 CN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G22 compound treatment -0.278 0.244 0.22 -0.04 0.493 0.47 -0.059 0.409434169278997 0.404408806312863 0.6294 0.9589 3131977 CMLD2_000134 COC(=O)C1=C2N(Cc3ccccc3)C(=C([C@H](N2C(=O)[C@@](O)(C1)C(=O)OC)c4ccccc4)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G23 compound treatment 0.309 0.831 0.74 -0.175 0.358 0.34 -0.212 0.256434169278997 0.253286716344584 0.7676 0.9041 3011260 CMLD2_000135 C[C@H]1CC[C@@H]2N([C@@H]1c3cccc(CC=C)c3)C(=O)[C@@H]4CC[C@H](C)[C@H](N4C2=O)c5cccc(CC=C)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 G24 compound treatment -0.096 0.426 0.38 -0.192 0.341 0.32 -0.378 0.090434169278997 0.089324187359393 0.4568 0.9034 3131978 CMLD2_000136 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C(C[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c4ccccc4)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H01 compound treatment 0.1 0.622 0.55 -0.461 0.072 0.07 -0.441 0.027434169278997 0.0270974444312783 0.373 0.6718 3131979 CMLD2_000137 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H02 compound treatment -0.154 0.368 0.33 -0.645 -0.112 -0.11 -0.43 0.038434169278997 0.0379624312917428 0.1484 0.4304 3131980 CMLD2_000138 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H03 mock treatment -0.136 0.386 0.34 -0.713 -0.18 -0.17 0.023 0.491434169278997 0.485402344727235 0.3785 0.6127 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H04 mock treatment -0.193 0.329 0.29 -0.699 -0.166 -0.16 -0.393 0.075434169278997 0.0745082961860324 0.1199 0.353 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H05 compound treatment 0.685 1.21 1.07 -0.269 0.264 0.25 -0.376 0.092434169278997 0.0912996395158411 0.8143 0.7399 3011261 CMLD2_000139 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H06 compound treatment -0.077 0.445 0.39 -0.122 0.411 0.39 -0.303 0.165434169278997 0.163403643226196 0.5478 0.9463 3131981 CMLD2_000140 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H07 compound treatment -0.569 -0.0466 -0.04 -0.487 0.046 0.04 -0.353 0.115434169278997 0.114017339314994 0.0674 0.5228 3422360 CMLD2_000141 CCC1=NOC(CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5cccc6OCOc65)C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H08 compound treatment -0.433 0.0894 0.08 -0.383 0.15 0.14 -0.463 0.00543416927899698 0.00536747071034927 0.1313 0.8032 3010278 CMLD2_000142 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(ccc45)c6ccc(Br)cc6)CCCc3n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H09 compound treatment -0.366 0.156 0.14 -0.125 0.408 0.39 -0.3 0.168434169278997 0.166366821460868 0.4003 0.8999 3011262 CMLD2_000143 CON(C)C(=O)c1nnc2c3ccccc3[nH]c2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H10 compound treatment 0.396 0.918 0.81 0.787 1.32 1.26 0.756 1.224434169279 1.20940556006546 1.8931 0.9837 3011263 CMLD2_000144 C/C=C/C1=C(CO)C(=O)[C@@H]2O[C@@H]2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H11 compound treatment -0.25 0.272 0.24 -0.593 -0.06 -0.06 -0.257 0.211434169278997 0.208839042824502 0.2267 0.6999 3011264 CMLD2_000145 CCOC(=O)CC(CC(=O)C)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H12 compound treatment 0.264 0.786 0.7 0.248 0.781 0.74 -0.338 0.130434169278997 0.128833230488355 0.9054 0.882 3131982 CMLD2_000146 CCOC(=O)C1=NO[C@@]2(C1)C=C(Br)C3(OCCCO3)[C@H]4O[C@H]42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H13 compound treatment -0.207 0.315 0.28 -0.407 0.126 0.12 -0.207 0.261434169278997 0.258225346735705 0.3794 0.9519 3011265 CMLD2_000147 OC(C1CCCCC1)C2=CCCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H14 compound treatment -0.096 0.426 0.38 -0.349 0.184 0.18 -0.357 0.111434169278997 0.110066435002098 0.3824 0.8892 3011266 CMLD2_000148 OC(C1=CCCCC1=O)c2ccc(cc2)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H15 compound treatment -0.337 0.185 0.16 -0.012 0.521 0.5 -0.417 0.051434169278997 0.0508028703086553 0.4106 0.7817 3131983 CMLD2_000149 CC1(C)O[C@H]2OC([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@H]2O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H16 compound treatment -0.512 0.0104 0.01 -0.1 0.433 0.41 -0.191 0.277434169278997 0.274028963987289 0.4017 0.811 3011267 CMLD2_000150 COCOc1ccc(Br)cc1C(=O)[C@@H]2O[C@H]2c3cccc(OC)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H17 compound treatment -0.48 0.0424 0.04 -0.115 0.418 0.4 -0.112 0.356434169278997 0.352059324166989 0.4549 0.8536 3131984 CMLD2_000151 C[C@@H]1OC=C2[C@@H](O)[C@H]3O[C@H]3C(=O)[C@]42[C@H]5O[C@H](C)[C@@H]([C@@H]14)C6=C5[C@@H](O)[C@H]7O[C@H]7C6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H18 compound treatment 0.14 0.662 0.59 -0.395 0.138 0.13 -0.407 0.061434169278997 0.0606801310908958 0.4491 0.7444 3011268 CMLD2_000152 COc1ccc(C#C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H19 mock treatment -0.38 0.142 0.13 -0.178 0.355 0.34 -0.512 -0.043565830721003 -0.0430311071226289 0.2431 0.6689 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H20 mock treatment -0.052 0.47 0.42 -0.427 0.106 0.1 0.074 0.542434169278997 0.535776374716661 0.6078 0.8863 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H21 compound treatment -0.322 0.2 0.18 -0.745 -0.212 -0.2 -0.366 0.102434169278997 0.101176900298082 0.0442 0.1538 3131985 CMLD2_000153 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C)C4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H22 compound treatment -0.802 -0.28 -0.25 -0.155 0.378 0.36 -0.432 0.036434169278997 0.0359869791352947 0.086 0.1963 3131715 CMLD2_000154 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]([C@@H]3C(=O)c5ccccc5)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H23 compound treatment 2.833 3.36 1.6 1.255 1.79 1.52 0.515 0.983434169278997 0.971363575213464 2.3589 0.9798 3011247 CMLD2_000155 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(cc3)c4ccco4)C(=O)[C@@H]5CC[C@@H](C)[C@@H](N5C2=O)c6ccc(cc6)c7ccco7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 H24 compound treatment -0.341 0.181 0.16 -0.082 0.451 0.43 -0.622 -0.153565830721003 -0.151680975727274 0.2531 0.524 3131986 CMLD2_000156 COC(=O)C1=C(C)N(Cc2ccccc2)c3c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c(=O)n3[C@@H]1c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I01 compound treatment -0.579 -0.0566 -0.05 -0.544 -0.011 -0.01 -0.593 -0.124565830721003 -0.123036919458776 -0.1059 -0.7951 3131987 CMLD2_000157 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I02 compound treatment -0.378 0.144 0.13 -0.4 0.133 0.13 -0.532 -0.063565830721003 -0.0627856286871098 0.1107 0.5807 3011269 CMLD2_000158 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCc3cccc4ccccc34)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I03 compound treatment -0.784 -0.262 -0.23 -0.785 -0.252 -0.24 -0.519 -0.050565830721003 -0.0499451896701972 -0.3009 -0.8929 3131988 CMLD2_000159 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I04 compound treatment -0.366 0.156 0.14 -0.265 0.268 0.26 -0.143 0.325434169278997 0.321439815742043 0.4129 0.9531 3011270 CMLD2_000160 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I05 mock treatment -0.538 -0.0156 -0.01 -0.333 0.2 0.19 -0.058 0.410434169278997 0.405396532391087 0.3361 0.75 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I06 mock treatment -0.487 0.0354 0.03 -0.486 0.047 0.04 -0.304 0.164434169278997 0.162415917147972 0.1377 0.8037 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I07 compound treatment -1.066 -0.544 -0.48 -0.726 -0.193 -0.18 -0.796 -0.327565830721003 -0.323545313338257 -0.5704 -0.9384 3422373 CMLD2_000161 CCC1=NOC(CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5cccc6OCOc65)C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I08 compound treatment -0.29 0.232 0.21 -0.242 0.291 0.28 -0.062 0.406434169278997 0.401445628078191 0.5105 0.9643 3011271 CMLD2_000162 COC(=O)NC/C=C\c1nc(CCCO)co1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I09 compound treatment -1.087 -0.565 -0.5 -1.014 -0.481 -0.46 -1.037 -0.568565830721003 -0.561587298190252 -0.8769 -0.9965 3131989 CMLD2_000163 CCCC[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I10 compound treatment -0.691 -0.169 -0.15 -0.485 0.048 0.05 -0.5 -0.031565830721003 -0.0311783941839403 -0.0776 -0.4882 3011272 CMLD2_000164 CO[C@@H]1[C@@H](C)/C(=C\CC(=O)OC)/c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I11 compound treatment 0.026 0.548 0.48 -0.362 0.171 0.16 -0.056 0.412434169278997 0.407371984547535 0.6092 0.9316 3131990 CMLD2_000165 CC(=NOCc1ccc(cc1)c2cc(no2)c3ccccc3)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I12 compound treatment -0.295 0.227 0.2 -0.091 0.442 0.42 -0.083 0.385434169278997 0.380703380435486 0.579 0.9614 3131991 CMLD2_000166 COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H]1O[C@H](CO)[C@@H](O)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I13 compound treatment -0.79 -0.268 -0.24 -0.475 0.058 0.06 -0.687 -0.218565830721003 -0.215883170811837 -0.2293 -0.7055 3011273 CMLD2_000167 C=CC(=O)N1C(=O)c2ccccc2S1(=O)=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I14 compound treatment -0.528 -0.00555 0.0 -0.453 0.08 0.08 -0.388 0.080434169278997 0.0794469265771526 0.0871 0.7898 3131992 CMLD2_000168 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C#Cc3ccccc3)cc2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I15 compound treatment -0.176 0.346 0.31 -0.365 0.168 0.16 -0.315 0.153434169278997 0.151550930287508 0.3568 0.9454 3011274 CMLD2_000169 CC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I16 mock treatment -0.5 0.0224 0.02 -0.448 0.085 0.08 -0.113 0.355434169278997 0.351071598088765 0.2609 0.7231 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I17 compound treatment -0.718 -0.196 -0.17 -0.807 -0.274 -0.26 -0.148 0.320434169278997 0.316501185350923 -0.0678 -0.1522 3131993 CMLD2_000170 C[C@H]1OC=C2[C@H](O)C3O[C@@H]3/C(=N\OCc4ccccc4)/[C@@]52[C@H]6OC(C)[C@@H](C15)C7=C6[C@H](O)[C@H]8O[C@H]8C7=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I18 compound treatment -0.603 -0.0806 -0.07 -0.379 0.154 0.15 -0.279 0.189434169278997 0.187109069103573 0.1516 0.6109 3011312 CMLD2_000171 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I19 compound treatment -0.667 -0.145 -0.13 -0.516 0.017 0.02 -0.523 -0.054565830721003 -0.0538960939830934 -0.0955 -0.684 3131989 CMLD2_000172 CCCC[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I20 compound treatment -0.431 0.0914 0.08 -0.382 0.151 0.14 -0.038 0.430434169278997 0.425151053955568 0.3752 0.8227 3011257 CMLD2_000173 C[C@@H]1CC[C@@H]2N(C[C@H](O)CNC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I21 mock treatment -0.552 -0.0296 -0.03 -0.42 0.113 0.11 -0.558 -0.089565830721003 -0.088466506720935 -0.004 -0.0281 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I22 mock treatment -0.429 0.0934 0.08 -0.258 0.275 0.26 -0.196 0.272434169278997 0.269090333596169 0.3543 0.9214 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I23 compound treatment 0.12 0.642 0.57 -0.31 0.223 0.21 -0.444 0.024434169278997 0.0241342661966061 0.4645 0.7654 3132111 CMLD2_000174 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(NC(=O)C)cc3)C(=O)[C@@H]4CC[C@@H](C)[C@@H](N4C2=O)c5ccc(NC(=O)C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 I24 compound treatment -0.385 0.137 0.12 -0.355 0.178 0.17 -0.397 0.071434169278997 0.0705573918731362 0.2088 0.9481 3131703 CMLD2_000175 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C5=O)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J01 compound treatment -0.792 -0.27 -0.24 -0.322 0.211 0.2 -0.823 -0.354565830721003 -0.350213917450307 -0.2237 -0.4771 3132112 CMLD2_000176 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J02 compound treatment -0.785 -0.263 -0.23 -0.722 -0.189 -0.18 -0.675 -0.206565830721003 -0.204030457873148 -0.3557 -0.9947 3011347 CMLD2_000177 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J03 compound treatment -0.412 0.11 0.1 -0.349 0.184 0.18 -0.647 -0.178565830721003 -0.176374127682875 0.0558 0.2088 3132113 CMLD2_000178 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J04 compound treatment -0.537 -0.0146 -0.01 0.072 0.605 0.58 -0.377 0.091434169278997 0.0903119134376171 0.3775 0.6469 3132114 CMLD2_000179 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J05 mock treatment -0.314 0.208 0.18 -0.311 0.222 0.21 0.086 0.554434169278997 0.54762908765535 0.5447 0.8852 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J06 mock treatment -0.408 0.114 0.1 0.0 0.533 0.51 -0.556 -0.087565830721003 -0.0864910545644869 0.3017 0.5746 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J07 compound treatment -1.049 -0.527 -0.47 -1.025 -0.492 -0.47 -0.8 -0.331565830721003 -0.327496217651154 -0.7284 -0.988 3011348 CMLD2_000180 CC(C)C[C@H](NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45)C(=O)NCC(c6ccccc6)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J08 compound treatment -1.412 -0.89 -0.79 -1.383 -0.85 -0.81 -1.262 -0.793565830721003 -0.783825665790662 -1.3741 -0.9999 3132115 CMLD2_000181 CO[C@H]1C[C@@H]2C[C@H](CC(CC(=O)O[C@H](C[C@@H]3CC[C@H](C)[C@@H](C1)O3)/C=C/CC(C)C)O2)OC(=O)\C=C/CCc4coc(\C=C/CNC(=O)OC)n4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J09 compound treatment -0.133 0.389 0.34 -0.301 0.232 0.22 -0.44 0.028434169278997 0.0280851705095023 0.3426 0.8354 3011349 CMLD2_000182 C[C@@H]1CC[C@@H]2N(C[C@@H](COS(=O)(=O)c3ccc(C)cc3)OC2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J10 compound treatment -0.273 0.249 0.22 -0.652 -0.119 -0.11 -0.521 -0.052565830721003 -0.0519206418266453 0.0319 0.126 3132116 CMLD2_000183 CO[C@@H](C(C)C)[C@@H](C)C1OC(=O)CC1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J11 compound treatment -0.524 -0.00155 0.0 -0.403 0.13 0.12 -0.265 0.203434169278997 0.20093723419871 0.1867 0.7911 3132117 CMLD2_000184 COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@](Oc3ccccc3C1=O)(C(=O)OC)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J12 compound treatment -0.129 0.393 0.35 -0.25 0.283 0.27 -0.02 0.448434169278997 0.442930123363601 0.6122 0.9805 3011350 CMLD2_000185 CC(=NOCc1cccc(c1)c2cc(no2)c3ccccc3)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J13 compound treatment -0.416 0.106 0.09 -0.495 0.038 0.04 -0.534 -0.065565830721003 -0.0647610808435579 0.0379 0.316 3132118 CMLD2_000186 CC(C)C(=O)N[C@@H]1CCCN1C(=O)/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J14 compound treatment -0.462 0.0604 0.05 -0.554 -0.021 -0.02 -0.395 0.073434169278997 0.0725328440295843 0.0612 0.6633 3011352 CMLD2_000187 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C=C)cc2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J15 compound treatment -0.232 0.29 0.26 -0.3 0.233 0.22 -0.347 0.121434169278997 0.119943695784338 0.3457 0.9602 3132119 CMLD2_000188 CO[C@H](CO)COc1ccc(OC)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J16 compound treatment -0.45 0.0724 0.06 -0.422 0.111 0.11 -0.371 0.097434169278997 0.0962382699069614 0.1536 0.9803 3011353 CMLD2_000189 Oc1ccccc1C(=O)/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J17 compound treatment -0.314 0.208 0.18 -0.151 0.382 0.36 -0.164 0.304434169278997 0.300697568099339 0.4901 0.9671 3132120 CMLD2_000190 CC(=NOCc1ccc(cc1)c2cn(nn2)[C@@H]3COC[C@H]3O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J18 compound treatment -1.275 -0.753 -0.67 -1.164 -0.631 -0.6 -1.386 -0.917565830721003 -0.906303699490443 -1.2544 -0.9839 3011354 CMLD2_000191 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J19 compound treatment -0.689 -0.167 -0.15 -0.532 0.00105 0.0 0.908 1.376434169279 1.35953992395551 0.7005 0.5122 3132121 CMLD2_000192 C[C@@H]1CC[C@@H]2N(CC(COCC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J20 compound treatment -0.711 -0.189 -0.17 -0.96 -0.427 -0.41 -0.729 -0.260565830721003 -0.257367666097246 -0.4797 -0.9417 3011355 CMLD2_000193 CC(C)CCN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J21 mock treatment 0.169 0.691 0.61 -0.2 0.333 0.32 -0.783 -0.314565830721003 -0.310704874321345 0.3567 0.4721 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J22 mock treatment -0.364 0.158 0.14 -0.632 -0.099 -0.09 -0.556 -0.087565830721003 -0.0864910545644869 -0.0235 -0.1238 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J23 compound treatment -0.582 -0.0596 -0.05 -0.617 -0.084 -0.08 -0.493 -0.024565830721003 -0.024264311636372 -0.0906 -0.917 3132122 CMLD2_000194 C[C@@H]1CC[C@@H]2N([C@H]1c3cccc(Br)c3)C(=O)[C@@H]4CC[C@@H](C)[C@@H](N4C2=O)c5cccc(c5)N6CCOCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 J24 compound treatment -0.311 0.211 0.19 -0.317 0.216 0.21 -0.327 0.141434169278997 0.139698217348819 0.3074 0.9879 3132123 CMLD2_000195 CCC(=O)[C@@]1(O[C@@]23[C@H]4[C@@H]1CCOC4=O)C(=O)N3[C@@H](C(=C(C)N2Cc5ccccc5)C(=O)OC)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K01 compound treatment -0.49 0.0324 0.03 -0.442 0.091 0.09 -0.333 0.135434169278997 0.133771860879475 0.1439 0.8881 3132124 CMLD2_000196 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K02 compound treatment -0.557 -0.0346 -0.03 -0.284 0.249 0.24 -0.531 -0.062565830721003 -0.0617979026088857 0.0837 0.3386 3011357 CMLD2_000197 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K03 compound treatment -0.529 -0.00655 -0.01 -0.538 -0.00495 0.0 -0.828 -0.359565830721003 -0.355152547841427 -0.2111 -0.5943 3132125 CMLD2_000198 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K04 compound treatment -0.04 0.482 0.43 -0.391 0.142 0.14 -0.426 0.042434169278997 0.0419133356046389 0.3486 0.7756 3132126 CMLD2_000199 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCCc6ccc(F)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K05 compound treatment -0.31 0.212 0.19 -0.112 0.421 0.4 -0.085 0.383434169278997 0.378727928279038 0.5587 0.9587 3011359 CMLD2_000200 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K06 compound treatment -0.594 -0.0716 -0.06 -0.773 -0.24 -0.23 -0.365 0.103434169278997 0.102164626376306 -0.1095 -0.4241 3132127 CMLD2_000201 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K07 mock treatment -0.129 0.393 0.35 0.042 0.575 0.55 -0.533 -0.064565830721003 -0.0637733547653338 0.4803 0.7366 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K08 mock treatment -0.618 -0.0956 -0.08 1.67 2.2 1.59 -0.495 -0.026565830721003 -0.0262397637928201 0.8554 0.5364 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K09 compound treatment 1.792 2.31 1.49 -0.623 -0.09 -0.09 0.264 0.732434169278997 0.723444329579229 1.2272 0.7408 3011360 CMLD2_000202 COc1cccc(c1)[C@H](O)Cn2cc(nn2)c3ccc(CON=C(C)C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K10 compound treatment -0.041 0.481 0.43 -0.123 0.41 0.39 0.067 0.535434169278997 0.528862292169093 0.7766 0.9915 3132128 CMLD2_000203 Cc1ccc2[nH]c3nc(CCCn4ccnc4c5ccccc5)nnc3c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K11 compound treatment -0.625 -0.103 -0.09 -0.71 -0.177 -0.17 -0.681 -0.212565830721003 -0.209956814342492 -0.2709 -0.9535 3011361 CMLD2_000204 COC(=O)C1=C(C)[C@@H](O)[C@@H](C)[C@@H](O1)c2c(OC)c(OC)c(C)c(OC)c2OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K12 compound treatment -0.729 -0.207 -0.18 -0.568 -0.035 -0.03 -0.577 -0.108565830721003 -0.107233302207192 -0.1866 -0.8703 3132129 CMLD2_000205 C[C@H]1OC=C2[C@H](OC(=O)C)[C@H]3O[C@H]3C(=O)[C@@]42[C@H]5OC(C)[C@@H]([C@H]14)C6=C5[C@H](O)[C@H]7O[C@H]7C6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K13 compound treatment -0.638 -0.116 -0.1 -0.654 -0.121 -0.12 -0.603 -0.134565830721003 -0.132914180241017 -0.2022 -0.9942 3011362 CMLD2_000206 CO[C@H]1C[C@@H]2C[C@H](O)CC(CC(=O)O[C@H](C[C@@H]3CC[C@H](C)[C@@H](C1)O3)/C=C/CC(C)C)O2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K14 compound treatment -0.107 0.415 0.37 -0.125 0.408 0.39 0.0 0.468434169278997 0.462684644928082 0.7036 0.995 3011258 CMLD2_000207 CON(C)C(=O)c1nnc2c3ccccc3n(c2n1)S(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K15 mock treatment -0.487 0.0354 0.03 -0.375 0.158 0.15 -0.426 0.042434169278997 0.0419133356046389 0.1292 0.8107 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K16 mock treatment -0.257 0.265 0.23 -0.38 0.153 0.15 -0.4 0.068434169278997 0.067594213638464 0.2587 0.9095 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K17 compound treatment -0.078 0.444 0.39 -0.116 0.417 0.4 -0.138 0.330434169278997 0.326378446133164 0.6447 0.9962 3132248 CMLD2_000208 CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C53OCCCO5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K18 compound treatment -0.597 -0.0746 -0.07 -0.855 -0.322 -0.31 -0.084 0.384434169278997 0.379715654357262 0.0041 0.0083 3011363 CMLD2_000209 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K19 compound treatment -0.523 -5.55E-4 0.0 -0.523 0.01 0.01 -0.548 -0.079565830721003 -0.0785892459386945 -0.0401 -0.5069 3132249 CMLD2_000210 C[C@@H]1CC[C@@H]2N(CC(COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K20 compound treatment -0.744 -0.222 -0.2 -0.547 -0.014 -0.01 0.051 0.519434169278997 0.513058674917508 0.1755 0.3194 3011399 CMLD2_000211 CCCCc1nc2CCN(CCC(C)C)Cc2c3CO[C@@H](C)Cc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K21 compound treatment -0.031 0.491 0.43 -0.302 0.231 0.22 0.148 0.616434169278997 0.60886810450524 0.7295 0.9356 3132250 CMLD2_000212 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C4=O)c5ccccc5)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K22 compound treatment 0.062 0.584 0.52 0.629 1.16 1.11 0.208 0.676434169278997 0.668131669198683 1.3232 0.9503 3011400 CMLD2_000213 C[C@@H]1CC[C@H](N[C@H]1c2ccc(cc2)c3ccco3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K23 mock treatment -0.043 0.479 0.42 -0.413 0.12 0.11 -0.227 0.241434169278997 0.238470825171224 0.4484 0.8976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 K24 mock treatment -0.227 0.295 0.26 -0.395 0.138 0.13 -0.312 0.156434169278997 0.15451410852218 0.3159 0.9552 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L01 compound treatment -0.507 0.0154 0.01 -0.354 0.179 0.17 -0.556 -0.087565830721003 -0.0864910545644869 0.0564 0.2943 3132251 CMLD2_000214 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L02 compound treatment -0.104 0.418 0.37 -0.589 -0.056 -0.05 -0.2 0.268434169278997 0.265139429283273 0.3359 0.733 3132252 CMLD2_000215 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L03 compound treatment -0.835 -0.313 -0.28 -0.689 -0.156 -0.15 -0.602 -0.133565830721003 -0.131926454162793 -0.3215 -0.9446 3011402 CMLD2_000216 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L04 compound treatment -0.676 -0.154 -0.14 -0.302 0.231 0.22 -0.031 0.437434169278997 0.432065136503136 0.2982 0.5921 3132253 CMLD2_000217 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L05 compound treatment 0.488 1.01 0.89 0.017 0.55 0.52 -0.078 0.390434169278997 0.385642010826606 1.041 0.9419 3132254 CMLD2_000218 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L06 compound treatment -0.19 0.332 0.29 -0.514 0.019 0.02 -0.227 0.241434169278997 0.238470825171224 0.3178 0.8388 3011403 CMLD2_000219 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L07 mock treatment -0.791 -0.269 -0.24 -0.424 0.109 0.1 -0.445 0.023434169278997 0.0231465401183821 -0.0637 -0.245 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L08 mock treatment -0.161 0.361 0.32 -0.471 0.062 0.06 -0.276 0.192434169278997 0.190072247338246 0.3284 0.8722 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L09 compound treatment -0.011 0.511 0.45 -0.512 0.021 0.02 0.007 0.475434169278997 0.46959872747565 0.5438 0.8337 3132255 CMLD2_000220 C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L10 compound treatment 0.196 0.718 0.64 0.326 0.859 0.82 0.222 0.690434169278997 0.68195983429382 1.2329 0.9941 3132256 CMLD2_000221 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(C)c(C)cc45)CCCc3n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L11 compound treatment -0.317 0.205 0.18 -0.239 0.294 0.28 0.435 0.903434169278997 0.892345488955541 0.7818 0.8206 3011404 CMLD2_000222 CCOC(=O)C1=NO[C@]2(C1)C=C(Br)C3(OCCCO3)[C@H]4O[C@H]42 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L12 compound treatment -0.713 -0.191 -0.17 -0.409 0.124 0.12 -1.136 -0.667565830721003 -0.659372179934432 -0.4097 -0.5932 3011405 CMLD2_000223 OC(CCc1ccccc1)C2=CCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L13 compound treatment -0.234 0.288 0.26 -0.279 0.254 0.24 -0.228 0.240434169278997 0.237483099093 0.4241 0.9995 3132257 CMLD2_000224 OC(CCc1ccccc1)C23OC3CCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L14 compound treatment -0.453 0.0694 0.06 -0.701 -0.168 -0.16 -0.487 -0.018565830721003 -0.0183379551670278 -0.0675 -0.3917 3132258 CMLD2_000225 CCCNC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L15 mock treatment -0.203 0.319 0.28 -0.16 0.373 0.36 -0.271 0.197434169278997 0.195010877729366 0.4808 0.9732 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L16 mock treatment -0.168 0.354 0.31 -0.208 0.325 0.31 -0.398 0.070434169278997 0.0695696657949121 0.3999 0.8965 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L17 compound treatment -0.553 -0.0306 -0.03 0.154 0.687 0.65 -0.408 0.060434169278997 0.0596924050126717 0.3968 0.6032 3011407 CMLD2_000226 C[C@H]1CC[C@@H]2N([C@@H]1c3ccccc3)C(=O)[C@@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L18 compound treatment -0.167 0.355 0.31 -0.348 0.185 0.18 -0.569 -0.100565830721003 -0.0993314935813993 0.2259 0.6043 3132259 CMLD2_000227 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L19 compound treatment -0.382 0.14 0.12 -0.455 0.078 0.07 -0.657 -0.188565830721003 -0.186251388465115 0.0071 0.03 3132260 CMLD2_000228 C[C@@H]1CC[C@@H]2N(CC(CN3C(=O)c4ccccc4C3=O)OC2=O)[C@H]1c5ccc(Br)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L20 compound treatment -0.78 -0.258 -0.23 -0.829 -0.296 -0.28 -0.692 -0.223565830721003 -0.220821801202957 -0.4217 -0.9938 3011408 CMLD2_000229 CC(C)CCN1CCc2nc(COc3ccccc3)c4C[C@H](C)OCc4c2C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L21 compound treatment 0.033 0.555 0.49 -0.274 0.259 0.25 0.01 0.478434169278997 0.472561905710322 0.6988 0.9641 3132261 CMLD2_000230 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](CCCC4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L22 compound treatment -0.107 0.415 0.37 -0.257 0.276 0.26 -0.352 0.116434169278997 0.115005065393218 0.4303 0.9231 3011409 CMLD2_000231 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C#CCN(C)C)cc2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L23 mock treatment 0.465 0.987 0.87 -0.614 -0.081 -0.08 -0.423 0.045434169278997 0.0448765138393111 0.4854 0.5531 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 L24 mock treatment -0.419 0.103 0.09 -0.285 0.248 0.24 -0.667 -0.198565830721003 -0.196128649247356 0.076 0.2372 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M01 compound treatment -0.867 -0.345 -0.3 -0.608 -0.075 -0.07 -0.59 -0.121565830721003 -0.120073741224104 -0.2864 -0.8547 3132262 CMLD2_000232 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc4ccccc34)O2)O1)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M02 compound treatment -0.388 0.134 0.12 -0.254 0.279 0.27 -0.139 0.329434169278997 0.32539072005494 0.41 0.9389 3132263 CMLD2_000233 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M03 compound treatment -0.342 0.18 0.16 -0.308 0.225 0.21 -0.418 0.050434169278997 0.0498151442304313 0.2446 0.9 3011410 CMLD2_000234 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M04 compound treatment -0.377 0.145 0.13 -0.456 0.077 0.07 -0.345 0.123434169278997 0.121919147940787 0.187 0.975 3132264 CMLD2_000235 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M05 compound treatment -0.513 0.00945 0.01 -0.481 0.052 0.05 -0.292 0.176434169278997 0.174268630086661 0.1341 0.7391 3132265 CMLD2_000236 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M06 compound treatment -0.359 0.163 0.14 -0.532 0.00105 0.0 -0.6 -0.131565830721003 -0.129951002006345 0.009 0.0462 3011411 CMLD2_000237 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M07 compound treatment -0.969 -0.447 -0.39 -0.295 0.238 0.23 -0.391 0.077434169278997 0.0764837483424805 -0.0528 -0.1145 3132266 CMLD2_000238 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccncc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M08 compound treatment -0.273 0.249 0.22 0.055 0.588 0.56 -0.375 0.093434169278997 0.0922873655940652 0.504 0.8275 3011412 CMLD2_000239 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M09 mock treatment -0.38 0.142 0.13 -0.155 0.378 0.36 -0.151 0.317434169278997 0.313538007116251 0.4617 0.9349 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M10 mock treatment -0.5 0.0224 0.02 -0.396 0.137 0.13 0.353 0.821434169278997 0.811351950541169 0.5553 0.6755 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M11 compound treatment -0.284 0.238 0.21 -0.405 0.128 0.12 -0.522 -0.053565830721003 -0.0529083679048693 0.1616 0.6483 3132389 CMLD2_000240 COC(=O)C/C=C/[C@@H](C)[C@H]1O[C@H](CO)[C@@H](O)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M12 compound treatment 0.124 0.646 0.57 0.114 0.647 0.62 0.25 0.718434169278997 0.709616164484093 1.0956 0.9959 3011413 CMLD2_000241 O=C1CCCC(C1)C2=CCCCC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M13 mock treatment -0.898 -0.376 -0.33 -0.925 -0.392 -0.37 -0.585 -0.116565830721003 -0.115135110832984 -0.4737 -0.9239 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M14 mock treatment -1.029 -0.507 -0.45 -1.103 -0.57 -0.54 -0.477 -0.00856583072100298 -0.00846069438478731 -0.5769 -0.8196 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M15 compound treatment 0.19 0.712 0.63 -0.393 0.14 0.13 -0.216 0.252434169278997 0.249335812031688 0.5846 0.8468 3132390 CMLD2_000242 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCCc2nc1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M16 compound treatment -0.787 -0.265 -0.23 -0.925 -0.392 -0.37 -0.371 0.097434169278997 0.0962382699069614 -0.2951 -0.6542 3011415 CMLD2_000243 CCO[C@@H]([C@H](C)/C=C/CC(=O)OC)c1cc(OC)cc([N+](=O)[O-])c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M17 mock treatment -0.403 0.119 0.11 -0.537 -0.00395 0.0 -0.171 0.297434169278997 0.29378348555177 0.2284 0.7316 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M18 compound treatment -0.455 0.0674 0.06 -0.308 0.225 0.21 -0.569 -0.100565830721003 -0.0993314935813993 0.1009 0.4139 3132391 CMLD2_000244 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCC2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M19 compound treatment -0.578 -0.0556 -0.05 -0.623 -0.09 -0.09 -0.661 -0.192565830721003 -0.190202292778011 -0.1876 -0.8755 3132392 CMLD2_000245 C[C@@H]1CC[C@@H]2N(CC(Cc3ccccc3)OC2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M20 compound treatment -0.203 0.319 0.28 -0.627 -0.094 -0.09 -0.1 0.368434169278997 0.363912037105677 0.3215 0.6851 3011466 CMLD2_000246 COc1ccc(cc1)c2nc3CCN(CCC(C)C)Cc3c4CO[C@@H](C)Cc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M21 compound treatment -0.408 0.114 0.1 -0.737 -0.204 -0.19 -0.424 0.044434169278997 0.043888787761087 -0.0284 -0.1272 3132393 CMLD2_000247 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](CCOC4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M22 compound treatment -0.169 0.353 0.31 0.012 0.545 0.52 0.309 0.777434169278997 0.767892003099311 0.9235 0.9441 3011467 CMLD2_000248 C[C@H]1CC[C@H](N[C@@H]1c2cccc(c2)N3CCCC3=O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M23 compound treatment -0.533 -0.0106 -0.01 -0.15 0.383 0.36 -0.366 0.102434169278997 0.101176900298082 0.2637 0.6962 3132394 CMLD2_000249 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(Br)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 M24 compound treatment -0.437 0.0854 0.08 -0.324 0.209 0.2 -0.356 0.112434169278997 0.111054161080322 0.2227 0.9272 3132261 CMLD2_000250 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](CCCC4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N01 compound treatment -0.506 0.0164 0.01 -0.603 -0.07 -0.07 -0.767 -0.298565830721003 -0.29490125706976 -0.2003 -0.6619 3132395 CMLD2_000251 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N02 compound treatment -0.876 -0.354 -0.31 -0.505 0.028 0.03 -0.9 -0.431565830721003 -0.426268825473558 -0.4111 -0.7768 3132396 CMLD2_000252 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N03 compound treatment -0.557 -0.0346 -0.03 -0.158 0.375 0.36 -0.7 -0.231565830721003 -0.228723609828749 0.0566 0.1331 3011471 CMLD2_000253 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N04 compound treatment -0.458 0.0644 0.06 -0.301 0.232 0.22 -0.73 -0.261565830721003 -0.25835539217547 0.0114 0.033 3132397 CMLD2_000254 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOC)O3)O2)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N05 compound treatment -0.627 -0.105 -0.09 -0.205 0.328 0.31 -0.161 0.307434169278997 0.303660746334011 0.3024 0.6788 3011472 CMLD2_000255 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N06 compound treatment -0.926 -0.404 -0.36 -0.712 -0.179 -0.17 -0.887 -0.418565830721003 -0.413428386456645 -0.5431 -0.9493 3132398 CMLD2_000256 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4cccc(c4)C(F)(F)F)O3)O2)OC(=O)NCc5cccc6ccccc56 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N07 compound treatment -0.333 0.189 0.17 -0.089 0.444 0.42 -0.879 -0.410565830721003 -0.405526577830853 0.1068 0.1752 3132399 CMLD2_000257 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccc5OCOc5c4)O3)O2)OC(=O)NCc6cccc7ccccc67 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N08 compound treatment -0.619 -0.0966 -0.09 -0.537 -0.00395 0.0 -0.381 0.087434169278997 0.0863610091247209 -0.0016 -0.0132 3011473 CMLD2_000258 Cc1ccc(cc1)S(=O)(=O)n2c3ccccc3c4nnc(nc24)C(=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N09 mock treatment -0.564 -0.0416 -0.04 3.539 4.07 1.78 -0.256 0.212434169278997 0.209826768902726 1.1262 0.6291 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N10 mock treatment -0.2 0.322 0.29 -0.529 0.00405 0.0 -0.468 4.34169278996976E-4 4.28840319229044E-4 0.1671 0.586 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N11 compound treatment -0.145 0.377 0.33 -0.207 0.326 0.31 -0.08 0.388434169278997 0.383666558670158 0.5935 0.9961 3011475 CMLD2_000259 BrC1=CC(=C)[C@@H]2O[C@@H]2C31OCCCO3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N12 compound treatment -0.086 0.436 0.39 -0.351 0.182 0.17 -0.24 0.228434169278997 0.225630386154311 0.4532 0.9452 3132400 CMLD2_000260 CCCCOC(OCCCC)C(O)CSc1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N13 mock treatment -0.152 0.37 0.33 -0.31 0.223 0.21 -0.318 0.150434169278997 0.148587752052836 0.3976 0.9517 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N14 mock treatment -0.372 0.15 0.13 -0.289 0.244 0.23 -0.452 0.016434169278997 0.0162324575708138 0.2204 0.8213 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N15 compound treatment -0.585 -0.0626 -0.06 -0.754 -0.221 -0.21 -0.78 -0.311565830721003 -0.307741696086673 -0.3311 -0.8785 3011477 CMLD2_000261 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N16 compound treatment -1.405 -0.883 -0.78 -1.134 -0.601 -0.57 -1.125 -0.656565830721003 -0.648507193073968 -1.1554 -0.9918 3132401 CMLD2_000262 CO[C@@H](C(C)C)[C@@H](C)C1OC1CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N17 compound treatment -0.396 0.126 0.11 -0.571 -0.038 -0.04 -0.293 0.175434169278997 0.173280904008437 0.1437 0.6864 4845 CMLD2_000263 COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c4ccccc4)c5ccc(OC)cc5)cc(OC)cc3OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N18 compound treatment -0.427 0.0954 0.08 -0.517 0.016 0.02 -0.289 0.179434169278997 0.177231808321333 0.1599 0.812 3011479 CMLD2_000264 CCCCC#C[C@H]1O[C@H](COC(=O)OCC)[C@@H](Oc2cc(OC)c(OC)c(OC)c2)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N19 compound treatment -0.75 -0.228 -0.2 -0.443 0.09 0.09 -0.512 -0.043565830721003 -0.0430311071226289 -0.0915 -0.4104 3132403 CMLD2_000265 C[C@H]1CC[C@@H]2N(CC(COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N20 compound treatment 0.0 0.522 0.46 0.099 0.632 0.6 1.163 1.631434169279 1.49481695360055 1.4773 0.8813 3011480 CMLD2_000266 C[C@H]1Cc2c(nc3CCN(CCOc4ccccc4)Cc3c2CO1)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N21 compound treatment -0.903 -0.381 -0.34 -0.692 -0.159 -0.15 -0.919 -0.450565830721003 -0.445035620959815 -0.5386 -0.9317 3132404 CMLD2_000267 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N22 compound treatment -0.548 -0.0256 -0.02 -0.582 -0.049 -0.05 -0.423 0.045434169278997 0.0448765138393111 -0.0141 -0.2051 3011481 CMLD2_000268 C[C@@H]1CC[C@H](N[C@H]1c2ccc(NC(=O)C)cc2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N23 compound treatment -0.444 0.0784 0.07 -0.271 0.262 0.25 -0.541 -0.072565830721003 -0.0716751633911262 0.1428 0.5312 3132405 CMLD2_000269 COc1cccc(c1)[C@@H]2[C@@H](C)CC[C@@H]3N2C(=O)[C@H](C(C)C)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 N24 compound treatment -0.065 0.457 0.4 -0.595 -0.062 -0.06 -0.657 -0.188565830721003 -0.186251388465115 0.0919 0.2046 3131577 CMLD2_000270 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C)C5=O)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O01 compound treatment -0.612 -0.0896 -0.08 -0.1 0.433 0.41 -0.311 0.157434169278997 0.155501834600404 0.2822 0.6301 3132406 CMLD2_000271 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCc3cccc4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O02 compound treatment -0.49 0.0324 0.03 -0.313 0.22 0.21 -0.185 0.283434169278997 0.279955320456634 0.2992 0.8527 3132407 CMLD2_000272 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCc6ccc7OCOc7c6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O03 compound treatment -0.345 0.177 0.16 -0.494 0.039 0.04 -0.533 -0.064565830721003 -0.0637733547653338 0.0752 0.4339 3011482 CMLD2_000273 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O04 compound treatment -0.583 -0.0606 -0.05 -0.725 -0.192 -0.18 -0.879 -0.410565830721003 -0.405526577830853 -0.3706 -0.8272 3132527 CMLD2_000274 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O05 compound treatment -0.319 0.203 0.18 -0.306 0.227 0.22 -0.523 -0.054565830721003 -0.0538960939830934 0.1976 0.6899 3011483 CMLD2_000275 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O06 compound treatment -0.657 -0.135 -0.12 -0.58 -0.047 -0.04 -0.041 0.427434169278997 0.422187875720896 0.1492 0.3385 3132528 CMLD2_000276 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O07 compound treatment -0.2 0.322 0.29 -0.429 0.104 0.1 -0.317 0.151434169278997 0.14957547813106 0.3082 0.9149 3011485 CMLD2_000277 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3cccc(c3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O08 compound treatment -0.788 -0.266 -0.23 -0.423 0.11 0.1 -0.194 0.274434169278997 0.271065785752617 0.0815 0.2181 3132529 CMLD2_000278 CCCC[C@@H]1CN2[C@@H]([C@@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O09 compound treatment -0.438 0.0844 0.07 -0.651 -0.118 -0.11 -0.213 0.255434169278997 0.25229899026636 0.1239 0.433 3011486 CMLD2_000279 COC(=O)[C@H]1O[C@H]([C@H](C)[C@@H](O)[C@H]1C)c2c(OC)c(OC)c(C)c(OC)c2OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O10 compound treatment -0.97 -0.448 -0.4 -1.375 -0.842 -0.8 -1.31 -0.841565830721003 -0.831236517545416 -1.1714 -0.9594 3132530 CMLD2_000280 OC(CCCCBr)C1=CCCCC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O11 mock treatment -2.591 -2.07 -1.83 -1.487 -0.954 -0.91 -1.391 -0.922565830721003 -0.911242329881564 -2.1067 -0.9421 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O12 mock treatment -0.929 -0.407 -0.36 -1.048 -0.515 -0.49 -1.171 -0.702565830721003 -0.693942592672274 -0.8914 -0.9661 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O13 compound treatment -0.45 0.0724 0.06 -0.587 -0.054 -0.05 -0.48 -0.011565830721003 -0.0114238726194594 7.0E-4 0.0085 3132531 CMLD2_000281 COC(=O)C/C=C/[C@H](C)[C@@H](OCc1ccccc1Br)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O14 compound treatment -0.051 0.471 0.42 0.68 1.21 1.16 1.481 1.949434169279 1.56677936578791 1.8124 0.9103 3011535 CMLD2_000282 COCOc1cc(OC)ccc1C(=O)/C=C/c2ccc3OCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O15 compound treatment -1.38 -0.858 -0.76 -0.89 -0.357 -0.34 -1.218 -0.749565830721003 -0.740365718348804 -1.0615 -0.9538 3132532 CMLD2_000283 Nc1ccccc1C(=O)/C=C/c2ccc3OCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O16 compound treatment -0.513 0.00945 0.01 -0.645 -0.112 -0.11 -0.227 0.241434169278997 0.238470825171224 0.0809 0.3096 3131858 CMLD2_000284 COC(=O)C/C=C/[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O17 mock treatment -0.284 0.238 0.21 -0.414 0.119 0.11 -0.304 0.164434169278997 0.162415917147972 0.281 0.9712 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O18 compound treatment -0.34 0.182 0.16 -0.638 -0.105 -0.1 -0.437 0.031434169278997 0.0310483487441744 0.0533 0.2773 3011536 CMLD2_000285 OC[C@H]1O[C@@H](C=C[C@@H]1O)C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O19 compound treatment -0.605 -0.0826 -0.07 -0.658 -0.125 -0.12 -0.014 0.454434169278997 0.448856479832945 0.1483 0.3154 3132533 CMLD2_000286 C[C@H]1CC[C@@H]2N(C[C@H](COS(=O)(=O)c3ccc(C)cc3)OC2=O)[C@@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O20 compound treatment 0.0 0.522 0.46 -0.76 -0.227 -0.22 -0.055 0.413434169278997 0.408359710625759 0.3776 0.578 3011537 CMLD2_000287 C[C@H]1Cc2c(COc3ccccc3)nc4CCN(CCOc5ccccc5)Cc4c2CO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O21 compound treatment -0.608 -0.0856 -0.08 -0.814 -0.281 -0.27 -0.671 -0.202565830721003 -0.200079553560252 -0.3137 -0.9156 3132534 CMLD2_000288 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O22 compound treatment -0.105 0.417 0.37 -0.255 0.278 0.26 -0.321 0.147434169278997 0.145624573818164 0.4501 0.9435 3011538 CMLD2_000289 C[C@@H]1CC[C@H](N[C@H]1c2cccc(c2)N3CCOCC3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O23 compound treatment -0.231 0.291 0.26 -0.4 0.133 0.13 -0.412 0.056434169278997 0.0557415006997756 0.2541 0.8688 3132535 CMLD2_000290 CCN1C(=C([C@H](N2C(=O)[C@@](O)([C@H](C(=C12)C(=O)c3ccccc3)c4ccccc4)C(=O)OC)c5ccccc5)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 O24 compound treatment -0.265 0.257 0.23 -0.417 0.116 0.11 0.097 0.565434169278997 0.558494074515814 0.5177 0.8443 3132250 CMLD2_000291 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C4=O)c5ccccc5)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P01 compound treatment -0.236 0.286 0.25 -0.203 0.33 0.31 0.0 0.468434169278997 0.462684644928082 0.5949 0.9688 3132536 CMLD2_000292 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P02 compound treatment -0.585 -0.0626 -0.06 -0.805 -0.272 -0.26 -0.537 -0.068565830721003 -0.06772425907823 -0.2206 -0.8068 3132537 CMLD2_000293 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P03 compound treatment -0.309 0.213 0.19 -0.687 -0.154 -0.15 -0.106 0.362434169278997 0.357985680636333 0.231 0.5366 3011540 CMLD2_000294 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P04 compound treatment 0.051 0.573 0.51 -0.442 0.091 0.09 -0.588 -0.119565830721003 -0.118098289067656 0.2746 0.5203 3132538 CMLD2_000295 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P05 compound treatment -0.5 0.0224 0.02 -0.158 0.375 0.36 -0.763 -0.294565830721003 -0.290950352756864 0.0498 0.1079 3011541 CMLD2_000296 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCCc3ccc(F)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P06 compound treatment -0.608 -0.0856 -0.08 -0.581 -0.048 -0.05 -0.957 -0.488565830721003 -0.482569211932328 -0.3487 -0.7107 3132539 CMLD2_000297 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4cccc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P07 compound treatment -0.188 0.334 0.3 0.7 1.23 1.17 -0.815 -0.346565830721003 -0.342312108824514 0.6513 0.5174 3011542 CMLD2_000298 CCN(CC)CC(O)CN1CCCCc2nc(C)c(C)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P08 compound treatment -0.511 0.0114 0.01 -0.68 -0.147 -0.14 -0.822 -0.353565830721003 -0.349226191372083 -0.2766 -0.7349 3131847 CMLD2_000299 C[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P09 compound treatment -0.341 0.181 0.16 0.486 1.02 0.97 -0.179 0.289434169278997 0.285881676925978 0.8182 0.7985 3132540 CMLD2_000300 C[C@H]1OC=C2[C@@H](O)[C@H]3O[C@H]3C(=O)[C@@]42[C@H]5O[C@H](C)[C@@H]([C@H]14)C6=C5[C@@H](O)[C@H]7O[C@H]7C6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P10 compound treatment -0.153 0.369 0.33 -0.256 0.277 0.26 -0.517 -0.048565830721003 -0.0479697375137491 0.3133 0.7412 3011543 CMLD2_000301 COCOc1ccc(Br)cc1C(=O)/C=C/c2ccc3OCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P11 mock treatment -0.726 -0.204 -0.18 -0.329 0.204 0.19 0.092 0.560434169278997 0.553555444124694 0.3279 0.5344 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P12 mock treatment -0.238 0.284 0.25 -0.193 0.34 0.32 -0.714 -0.245565830721003 -0.242551774923886 0.1922 0.4034 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P13 compound treatment -0.586 -0.0636 -0.06 -0.229 0.304 0.29 -0.366 0.102434169278997 0.101176900298082 0.1932 0.6194 3132541 CMLD2_000302 COC(OC)[C@@H](C)[C@H](OC)[C@@H](C)[C@H](OC)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P14 compound treatment -0.45 0.0724 0.06 -0.611 -0.078 -0.07 -0.662 -0.193565830721003 -0.191190018856236 -0.1163 -0.5412 3011544 CMLD2_000303 CC(C)c1ccc(C)n1C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P15 compound treatment -0.952 -0.43 -0.38 -0.631 -0.098 -0.09 -0.985 -0.516565830721003 -0.510225542122602 -0.5677 -0.8831 3011545 CMLD2_000304 Brc1ccc(cc1)[C@@H]2OC(=O)C[C@@H]2c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P16 compound treatment -0.138 0.384 0.34 -0.511 0.022 0.02 -0.612 -0.143565830721003 -0.141803714945033 0.1265 0.3429 3132542 CMLD2_000305 COC(=O)[C@H]1[C@@H](C(=O)[C@]2(O)c3ccccc3O[C@@]12c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P17 mock treatment 0.057 0.579 0.51 -0.273 0.26 0.25 -0.288 0.180434169278997 0.178219534399557 0.5417 0.9084 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P18 compound treatment -1.152 -0.63 -0.56 -1.403 -0.87 -0.83 -0.097 0.371434169278997 0.366875215340349 -0.588 -0.5529 3132543 CMLD2_000306 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P19 compound treatment -0.732 -0.21 -0.19 -0.641 -0.108 -0.1 -0.195 0.273434169278997 0.270078059674393 -0.0104 -0.0303 3011546 CMLD2_000307 C[C@@H]1CCC2N(C[C@H](O)CN(Cc3ccccc3)C2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P20 compound treatment -0.729 -0.207 -0.18 -0.455 0.078 0.07 -0.81 -0.341565830721003 -0.337373478433394 -0.2573 -0.6584 3132544 CMLD2_000308 CCCCc1nc2CCN(CCOc3ccccc3)Cc2c4CO[C@@H](C)Cc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P21 compound treatment -0.563 -0.0406 -0.04 -0.415 0.118 0.11 -0.235 0.233434169278997 0.230569016545431 0.1773 0.6847 3131978 CMLD2_000309 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C(C[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c4ccccc4)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P22 compound treatment -0.226 0.296 0.26 -0.358 0.175 0.17 -0.625 -0.156565830721003 -0.154644153961946 0.1583 0.4562 3011547 CMLD2_000310 COCC#Cc1ccc(cc1)[C@@H]2N[C@@H](CC[C@H]2C)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P23 compound treatment -0.109 0.413 0.37 -0.308 0.225 0.21 -0.192 0.276434169278997 0.273041237909065 0.4925 0.9769 3132545 CMLD2_000311 COc1cccc(c1)[C@@H]2[C@@H](C)CC[C@@H]3N2C(=O)[C@@H]4CC[C@H](C)[C@H](N4C3=O)c5cccc(OC)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2109 P24 compound treatment -0.038 0.484 0.43 -0.228 0.305 0.29 -0.213 0.255434169278997 0.25229899026636 0.5607 0.9738 3132534 CMLD2_000312 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A01 compound treatment -0.623 -0.101 -0.09 -0.19 0.343 0.33 -0.349 0.119434169278997 0.11796824362789 0.2055 0.5729 3132546 CMLD2_000313 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A02 compound treatment -0.172 0.35 0.31 -0.3 0.233 0.22 -0.338 0.130434169278997 0.128833230488355 0.3814 0.948 3011548 CMLD2_000314 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A03 compound treatment -0.423 0.0994 0.09 -0.578 -0.045 -0.04 -0.56 -0.0915658307210031 -0.090441958877383 -0.0262 -0.1965 3130471 CMLD2_000315 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A04 compound treatment -1.686 -1.16 -1.03 -1.59 -1.06 -1.01 -1.069 -0.600565830721003 -0.593194532693421 -1.5177 -0.9748 3130472 CMLD2_000316 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A05 compound treatment -1.937 -1.41 -1.25 -1.722 -1.19 -1.13 -0.273 0.195434169278997 0.193035425572918 -1.2645 -0.7446 3011549 CMLD2_000317 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A06 compound treatment -1.224 -0.702 -0.62 -1.011 -0.478 -0.46 -1.417 -0.948565830721003 -0.936923207915389 -1.1619 -0.9584 3011597 CMLD2_000318 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A07 compound treatment -1.237 -0.715 -0.63 -0.943 -0.41 -0.39 -0.78 -0.311565830721003 -0.307741696086673 -0.7679 -0.9552 3130473 CMLD2_000319 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A08 compound treatment 0.479 1.0 0.89 -0.571 -0.038 -0.04 -0.306 0.162434169278997 0.160440464991524 0.5829 0.6473 3010878 CMLD2_000320 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A09 compound treatment -0.262 0.26 0.23 -0.719 -0.186 -0.18 -0.759 -0.290565830721003 -0.286999448443968 -0.135 -0.3307 3130474 CMLD2_000321 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A10 compound treatment -0.759 -0.237 -0.21 -0.75 -0.217 -0.21 -0.717 -0.248565830721003 -0.245514953158558 -0.3818 -0.9968 3010879 CMLD2_000322 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A11 compound treatment 1.225 1.75 1.39 0.363 0.896 0.85 0.485 0.953434169278997 0.941731792866743 1.8419 0.976 3130475 CMLD2_000323 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A12 compound treatment 0.328 0.85 0.75 0.78 1.31 1.25 0.328 0.796434169278997 0.786658798585568 1.6105 0.9714 3130476 CMLD2_000324 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A13 mock treatment -0.3 0.222 0.2 0.13 0.663 0.63 -0.262 0.206434169278997 0.203900412433382 0.596 0.8609 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A14 mock treatment -0.424 0.0984 0.09 -0.032 0.501 0.48 -0.161 0.307434169278997 0.303660746334011 0.5012 0.8756 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A15 compound treatment 0.905 1.43 1.26 1.083 1.62 1.48 1.071 1.539434169279 1.47049430071421 2.4325 0.9974 3010880 CMLD2_000325 O[C@@H](COCc1ccco1)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A16 compound treatment -0.393 0.129 0.11 0.533 1.07 1.02 -0.314 0.154434169278997 0.152538656365732 0.7405 0.7166 3130477 CMLD2_000326 CC(C)CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A17 compound treatment -0.676 -0.154 -0.14 -0.657 -0.124 -0.12 -0.511 -0.042565830721003 -0.0420433810444048 -0.1708 -0.9245 3010881 CMLD2_000327 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A18 compound treatment -0.485 0.0374 0.03 -0.293 0.24 0.23 -0.55 -0.081565830721003 -0.0805646980951426 0.1046 0.4276 3130478 CMLD2_000328 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A19 compound treatment -0.224 0.298 0.26 -0.459 0.074 0.07 -0.532 -0.063565830721003 -0.0627856286871098 0.1568 0.5596 3130479 CMLD2_000329 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A20 compound treatment -0.127 0.395 0.35 -0.304 0.229 0.22 -0.265 0.203434169278997 0.20093723419871 0.4438 0.968 3010882 CMLD2_000330 C[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H](C)NC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A21 compound treatment -0.059 0.463 0.41 -0.321 0.212 0.2 -0.102 0.366434169278997 0.361936584949229 0.5622 0.9645 3130480 CMLD2_000331 C[C@H]/1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C\C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A22 compound treatment 0.51 1.03 0.91 0.188 0.721 0.69 0.3 0.768434169278997 0.759002468395295 1.3618 0.9929 3010883 CMLD2_000332 CO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H](OCc3ccccc3)\C=C\[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A23 compound treatment 6.489 7.01 1.77 3.531 4.06 1.78 1.013 1.481434169279 1.4541794312165 2.885 0.996 3130481 CMLD2_000333 CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 A24 compound treatment 0.355 0.877 0.78 0.302 0.835 0.8 0.358 0.826434169278997 0.816290580932289 1.3785 0.9998 3130482 CMLD2_000334 C[C@@H]1/C=C/CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C/CC(=O)OC[C@H]3O[C@H]1C=C[C@@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B01 compound treatment -0.239 0.283 0.25 -0.64 -0.107 -0.1 -0.512 -0.043565830721003 -0.0430311071226289 0.061 0.2227 3010884 CMLD2_000335 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B02 compound treatment -1.309 -0.787 -0.7 -1.304 -0.771 -0.73 -1.314 -0.845565830721003 -0.835187421858312 -1.3077 -0.997 3130483 CMLD2_000336 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B03 compound treatment -0.632 -0.11 -0.1 -0.446 0.087 0.08 -0.493 -0.024565830721003 -0.024264311636372 -0.0221 -0.1699 3130484 CMLD2_000337 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4ccc(F)cc4F)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B04 compound treatment -1.143 -0.621 -0.55 -0.794 -0.261 -0.25 -0.986 -0.517565830721003 -0.511213268200826 -0.7554 -0.9562 3010885 CMLD2_000338 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B05 compound treatment -0.62 -0.0976 -0.09 -0.682 -0.149 -0.14 -0.541 -0.072565830721003 -0.0716751633911262 -0.1731 -0.9571 3130485 CMLD2_000339 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B06 compound treatment -0.025 0.497 0.44 -0.717 -0.184 -0.18 -0.316 0.152434169278997 0.150563204209284 0.2397 0.4824 3010886 CMLD2_000340 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B07 compound treatment 0.548 1.07 0.95 0.571 1.1 1.05 0.956 1.424434169279 1.40695077571027 1.9659 0.9853 3130486 CMLD2_000341 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B08 compound treatment -1.629 -1.11 -0.98 -1.676 -1.14 -1.09 -1.586 -1.117565830721 -1.10384891513525 -1.8308 -0.9986 3130487 CMLD2_000342 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B09 compound treatment -0.434 0.0884 0.08 -0.391 0.142 0.14 -0.548 -0.079565830721003 -0.0785892459386945 0.0779 0.4453 3010887 CMLD2_000343 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B10 compound treatment -1.316 -0.794 -0.7 -1.225 -0.692 -0.66 -1.158 -0.689565830721003 -0.681102153655361 -1.1789 -0.9997 3130488 CMLD2_000344 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B11 compound treatment -0.667 -0.145 -0.13 -0.419 0.114 0.11 -0.661 -0.192565830721003 -0.190202292778011 -0.1209 -0.4766 3010888 CMLD2_000345 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)C(C)(C)C)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B12 compound treatment -0.521 0.00145 0.0 -0.64 -0.107 -0.1 -0.813 -0.344565830721003 -0.340336656668066 -0.2546 -0.7166 3130489 CMLD2_000346 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B13 mock treatment -0.42 0.102 0.09 -0.128 0.405 0.39 -0.382 0.086434169278997 0.0853732830464969 0.3244 0.8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B14 mock treatment -0.266 0.256 0.23 -0.095 0.438 0.42 -0.33 0.138434169278997 0.136735039114147 0.4508 0.9121 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B15 compound treatment -0.529 -0.00655 -0.01 -1.053 -0.52 -0.5 -0.873 -0.404565830721003 -0.399600221361509 -0.52 -0.8171 3130616 CMLD2_000347 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OCc6ccccc6)n3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B16 compound treatment -0.52 0.00245 0.0 -0.42 0.113 0.11 -0.487 -0.018565830721003 -0.0183379551670278 0.0528 0.4836 3010889 CMLD2_000348 CC(=CCC/C(=C/CO\N=C\1/[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B17 compound treatment 0.565 1.09 0.96 0.431 0.964 0.92 0.916 1.384434169279 1.36744173258131 1.8748 0.983 3130617 CMLD2_000349 CCN1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B18 compound treatment -0.704 -0.182 -0.16 -0.677 -0.144 -0.14 -0.45 0.018434169278997 0.0182079097272619 -0.1613 -0.7614 3010924 CMLD2_000350 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B19 compound treatment 0.254 0.776 0.69 -0.06 0.473 0.45 -0.298 0.170434169278997 0.168342273617317 0.7537 0.8991 3130618 CMLD2_000351 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B20 compound treatment 1.659 2.18 1.47 1.576 2.11 1.58 3.961 4.429434169279 1.84259797802635 2.8226 0.9954 3130619 CMLD2_000352 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B21 compound treatment 0.078 0.6 0.53 0.478 1.01 0.96 0.492 0.960434169278997 0.948645875414311 1.4103 0.971 3010926 CMLD2_000353 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B22 compound treatment 0.515 1.04 0.92 0.328 0.861 0.82 0.308 0.776434169278997 0.766904277021087 1.4459 0.9972 3130620 CMLD2_000354 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B23 compound treatment 0.513 1.04 0.92 0.123 0.656 0.62 0.734 1.202434169279 1.18767558634453 1.5751 0.9695 3130621 CMLD2_000355 C[C@@H]/1COC(=O)N[C@@H](C)C(=O)C\C=C\[C@H](C)[C@H](COC(=O)C\C=C1)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 B24 compound treatment 0.103 0.625 0.55 0.318 0.851 0.81 0.512 0.980434169278997 0.968400396978792 1.3464 0.9766 3010928 CMLD2_000356 C[C@@H]1NC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H]3O[C@H](COC1=O)[C@@H](O)C=C3)[C@@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C01 compound treatment -0.295 0.227 0.2 -0.555 -0.022 -0.02 -0.407 0.061434169278997 0.0606801310908958 0.1391 0.6588 3130622 CMLD2_000357 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccccc4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C02 compound treatment -0.744 -0.222 -0.2 -0.758 -0.225 -0.21 -0.467 0.00143416927899698 0.00141656639745309 -0.236 -0.8128 3130623 CMLD2_000358 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C03 compound treatment -0.824 -0.302 -0.27 -0.286 0.247 0.24 -0.6 -0.131565830721003 -0.129951002006345 -0.0931 -0.2458 3010930 CMLD2_000359 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C04 compound treatment -0.219 0.303 0.27 -0.403 0.13 0.12 -0.375 0.093434169278997 0.0922873655940652 0.2797 0.9035 3130624 CMLD2_000360 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C05 compound treatment -0.737 -0.215 -0.19 -0.407 0.126 0.12 -0.282 0.186434169278997 0.184145890868901 0.0661 0.2277 3010931 CMLD2_000361 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C06 compound treatment -0.302 0.22 0.19 -0.5 0.033 0.03 -0.305 0.163434169278997 0.161428191069748 0.2239 0.878 3130625 CMLD2_000362 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C07 compound treatment -0.036 0.486 0.43 0.078 0.611 0.58 -0.295 0.173434169278997 0.171305451851989 0.6833 0.9187 3130626 CMLD2_000363 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C08 compound treatment -0.013 0.509 0.45 -0.686 -0.153 -0.15 -0.153 0.315434169278997 0.311562554959803 0.3558 0.6278 3010932 CMLD2_000364 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C09 compound treatment 1.992 2.51 1.51 -1.209 -0.676 -0.64 -0.866 -0.397565830721003 -0.39268613881394 0.2752 0.1628 3130627 CMLD2_000365 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C10 compound treatment -0.213 0.309 0.27 -0.371 0.162 0.15 -0.153 0.315434169278997 0.311562554959803 0.427 0.965 3010933 CMLD2_000366 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C11 mock treatment -0.202 0.32 0.28 -0.167 0.366 0.35 -0.316 0.152434169278997 0.150563204209284 0.4518 0.9535 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C12 mock treatment -0.296 0.226 0.2 -0.302 0.231 0.22 0.056 0.524434169278997 0.517997305308628 0.5417 0.9069 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C13 compound treatment -1.296 -0.774 -0.68 -0.662 -0.129 -0.12 -1.431 -0.962565830721003 -0.950751373010525 -1.0147 -0.8617 3130628 CMLD2_000367 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C14 compound treatment -0.684 -0.162 -0.14 -0.708 -0.175 -0.17 -0.611 -0.142565830721003 -0.140815988866809 -0.26 -0.997 3010934 CMLD2_000368 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C15 mock treatment -0.091 0.431 0.38 -0.304 0.229 0.22 -0.533 -0.064565830721003 -0.0637733547653338 0.3094 0.6967 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C16 mock treatment -0.42 0.102 0.09 -0.037 0.496 0.47 -0.302 0.166434169278997 0.16439136930442 0.42 0.8261 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C17 compound treatment 1.289 1.81 1.41 0.051 0.584 0.56 0.255 0.723434169278997 0.714554794875213 1.5463 0.924 3130629 CMLD2_000369 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C18 compound treatment -0.333 0.189 0.17 -0.351 0.182 0.17 -0.4 0.068434169278997 0.067594213638464 0.2359 0.9419 3130630 CMLD2_000370 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C19 compound treatment -0.667 -0.145 -0.13 -0.621 -0.088 -0.08 -0.258 0.210434169278997 0.207851316746278 -0.0022 -0.0084 3010935 CMLD2_000371 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C20 compound treatment -0.021 0.501 0.44 1.505 2.04 1.57 0.225 0.693434169278997 0.684923012528492 1.5552 0.881 3130631 CMLD2_000372 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C21 compound treatment 1.104 1.63 1.37 2.963 3.5 1.74 1.68 2.148434169279 1.6042845761987 2.7193 0.9954 3010936 CMLD2_000373 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C22 compound treatment 0.319 0.841 0.74 0.232 0.765 0.73 0.128 0.596434169278997 0.589113582940759 1.1904 0.9949 3130632 CMLD2_000374 CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C23 compound treatment 0.25 0.772 0.68 1.082 1.62 1.48 0.738 1.206434169279 1.19162649065743 1.937 0.9592 3130633 CMLD2_000375 CO[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 C24 compound treatment -0.09 0.432 0.38 -0.094 0.439 0.42 0.194 0.662434169278997 0.654303504103546 0.84 0.9704 3010937 CMLD2_000376 C[C@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)[C@H](Cc3ccccc3)NC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D01 compound treatment -0.662 -0.14 -0.12 -0.33 0.203 0.19 -0.176 0.292434169278997 0.28884485516065 0.2072 0.5617 3130634 CMLD2_000377 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D02 compound treatment -1.0 -0.478 -0.42 -0.935 -0.402 -0.38 -0.757 -0.288565830721003 -0.28502399628752 -0.6294 -0.9876 3010938 CMLD2_000378 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D03 compound treatment -0.317 0.205 0.18 -0.2 0.333 0.32 -0.243 0.225434169278997 0.222667207919639 0.4166 0.9732 3130635 CMLD2_000379 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D04 compound treatment -0.373 0.149 0.13 -0.33 0.203 0.19 -0.494 -0.025565830721003 -0.0252520377145961 0.1734 0.7359 3130759 CMLD2_000380 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D05 compound treatment -0.542 -0.0196 -0.02 -0.444 0.089 0.08 -0.045 0.423434169278997 0.418236971408 0.2805 0.6567 3010939 CMLD2_000381 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D06 compound treatment -0.819 -0.297 -0.26 -0.522 0.011 0.01 -0.101 0.367434169278997 0.362924311027453 0.0642 0.1434 3130760 CMLD2_000382 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D07 compound treatment -1.231 -0.709 -0.63 -1.691 -1.16 -1.1 -1.111 -0.642565830721003 -0.634679027978831 -1.365 -0.9623 3130761 CMLD2_000383 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N([C@@H](C)c5ccccc5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D08 compound treatment -0.587 -0.0646 -0.06 -0.933 -0.4 -0.38 -0.395 0.073434169278997 0.0725328440295843 -0.2111 -0.5384 3130762 CMLD2_000384 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D09 compound treatment -0.193 0.329 0.29 -0.095 0.438 0.42 -0.364 0.104434169278997 0.10315235245453 0.4686 0.9025 3010981 CMLD2_000385 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D10 compound treatment 1.633 2.16 1.47 0.662 1.2 1.14 0.662 1.130434169279 1.1165593087124 2.1478 0.9918 3130763 CMLD2_000386 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D11 mock treatment -0.569 -0.0466 -0.04 -0.264 0.269 0.26 -0.213 0.255434169278997 0.25229899026636 0.2699 0.7455 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D12 mock treatment 0.014 0.536 0.47 -0.442 0.091 0.09 -0.397 0.071434169278997 0.0705573918731362 0.3646 0.7483 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D13 compound treatment -0.092 0.43 0.38 -0.1 0.433 0.41 -0.308 0.160434169278997 0.158465012835076 0.5494 0.942 3130764 CMLD2_000387 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D14 compound treatment -0.034 0.488 0.43 0.557 1.09 1.04 0.19 0.658434169278997 0.65035259979065 1.2243 0.9424 3010983 CMLD2_000388 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D15 mock treatment -0.512 0.0104 0.01 -0.374 0.159 0.15 -0.615 -0.146565830721003 -0.144766893179705 0.0092 0.044 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D16 mock treatment -0.522 4.45E-4 0.0 -0.266 0.267 0.25 -0.485 -0.016565830721003 -0.0163625030105797 0.1377 0.54 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D17 compound treatment -0.747 -0.225 -0.2 -0.467 0.066 0.06 -0.323 0.145434169278997 0.143649121661715 0.0046 0.0184 3130765 CMLD2_000389 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D18 compound treatment -0.441 0.0814 0.07 -0.426 0.107 0.1 -0.053 0.415434169278997 0.410335162782207 0.3374 0.7866 3010984 CMLD2_000390 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D19 compound treatment -0.794 -0.272 -0.24 -0.493 0.04 0.04 0.601 1.069434169279 1.05630801794073 0.4933 0.4551 3130766 CMLD2_000391 C[C@H](N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D20 compound treatment 0.149 0.671 0.59 -0.222 0.311 0.3 -0.695 -0.226565830721003 -0.223784979437629 0.3846 0.5493 3010985 CMLD2_000392 CO[C@@H]1/C=C/CC(=O)N[C@@H](C)C(=O)OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D21 compound treatment 1.519 2.04 1.45 2.044 2.58 1.64 2.282 2.750434169279 1.69373109603516 2.7628 0.9978 3130767 CMLD2_000393 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D22 compound treatment 0.267 0.789 0.7 -0.11 0.423 0.4 0.4 0.868434169278997 0.857775076217699 1.1309 0.9608 3130768 CMLD2_000394 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D23 compound treatment 2.659 3.18 1.58 4.87 5.4 1.85 3.535 4.003434169279 1.81352867828014 3.027 0.9977 3130619 CMLD2_000395 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 D24 compound treatment 0.327 0.849 0.75 0.078 0.611 0.58 -0.077 0.391434169278997 0.38662973690483 0.9929 0.9679 3010986 CMLD2_000396 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E01 mock treatment -0.534 -0.0116 -0.01 -0.326 0.207 0.2 -0.103 0.365434169278997 0.360948858871005 0.3164 0.7689 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E02 mock treatment -0.317 0.205 0.18 -0.437 0.096 0.09 0.049 0.517434169278997 0.51108322276106 0.4528 0.8231 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E03 compound treatment -0.184 0.338 0.3 -0.542 -0.00895 -0.01 -0.491 -0.022565830721003 -0.0222888594799239 0.155 0.5162 3130769 CMLD2_000397 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E04 compound treatment -0.721 -0.199 -0.18 -0.816 -0.283 -0.27 -0.385 0.083434169278997 0.0824101048118247 -0.2094 -0.6306 3130770 CMLD2_000398 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E05 compound treatment -2.086 -1.56 -1.38 -1.488 -0.955 -0.91 -1.191 -0.722565830721003 -0.713697114236755 -1.7354 -0.9629 3010987 CMLD2_000399 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E06 compound treatment 0.194 0.716 0.63 0.278 0.811 0.77 0.322 0.790434169278997 0.780732442116224 1.2625 0.9957 3130771 CMLD2_000400 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E07 compound treatment -1.554 -1.03 -0.91 -1.203 -0.67 -0.64 -1.467 -0.998565830721003 -0.986309511826591 -1.4645 -0.9847 3130772 CMLD2_000401 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E08 compound treatment 0.145 0.667 0.59 -0.431 0.102 0.1 -0.17 0.298434169278997 0.294771211629994 0.567 0.8504 3010988 CMLD2_000402 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E09 mock treatment -0.453 0.0694 0.06 -0.455 0.078 0.07 -0.322 0.146434169278997 0.14463684773994 0.1619 0.9312 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E10 mock treatment -0.333 0.189 0.17 -0.373 0.16 0.15 -0.225 0.243434169278997 0.240446277327672 0.3235 0.9795 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E11 compound treatment -1.564 -1.04 -0.92 -1.662 -1.13 -1.08 -0.801 -0.332565830721003 -0.328483943729378 -1.3422 -0.9235 3130773 CMLD2_000403 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E12 compound treatment -1.547 -1.02 -0.91 -1.341 -0.808 -0.77 -1.287 -0.818565830721003 -0.808518817746263 -1.4342 -0.9976 3010989 CMLD2_000404 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C5CCCCC5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E13 compound treatment -1.557 -1.03 -0.91 -0.674 -0.141 -0.13 -1.423 -0.954565830721003 -0.942849564384733 -1.15 -0.8709 3130774 CMLD2_000405 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E14 compound treatment -0.115 0.407 0.36 0.226 0.759 0.72 0.196 0.664434169278997 0.656278956259994 1.0044 0.965 3130775 CMLD2_000406 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E15 compound treatment -0.225 0.297 0.26 -0.648 -0.115 -0.11 -0.6 -0.131565830721003 -0.129951002006345 0.0136 0.0434 3010990 CMLD2_000407 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OCC(C)C)n3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E16 compound treatment -0.2 0.322 0.29 -0.224 0.309 0.29 -0.37 0.098434169278997 0.0972259959851854 0.3907 0.9276 3130776 CMLD2_000408 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCCCC#C)/[C@H]3CCn4n([C@@H]13)c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E17 mock treatment -0.308 0.214 0.19 -0.274 0.259 0.25 0.145 0.613434169278997 0.605904926270568 0.6018 0.8834 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E18 mock treatment -0.328 0.194 0.17 -0.191 0.342 0.33 -0.519 -0.050565830721003 -0.0499451896701972 0.2585 0.6954 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E19 compound treatment -0.471 0.0514 0.05 -0.397 0.136 0.13 -0.348 0.120434169278997 0.118955969706114 0.1698 0.9343 3010991 CMLD2_000409 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E20 compound treatment 0.179 0.701 0.62 0.175 0.708 0.67 0.02 0.488434169278997 0.482439166492563 1.026 0.9908 3130777 CMLD2_000410 C[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E21 compound treatment 1.581 2.1 1.46 0.479 1.01 0.96 0.985 1.453434169279 1.43559483197877 2.2268 0.9847 3130778 CMLD2_000411 CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E22 compound treatment -0.733 -0.211 -0.19 -0.462 0.071 0.07 -0.436 0.032434169278997 0.0320360748223985 -0.0499 -0.2487 3010992 CMLD2_000412 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E23 compound treatment -0.347 0.175 0.16 -0.328 0.205 0.2 -0.286 0.182434169278997 0.180194986556005 0.3064 0.9956 3130904 CMLD2_000413 CO[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C)NS(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 E24 compound treatment -0.814 -0.292 -0.26 -0.438 0.095 0.09 0.051 0.519434169278997 0.513058674917508 0.1997 0.3435 3130905 CMLD2_000414 CO[C@@H]1COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](COCc3ccccc3)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F01 mock treatment -0.087 0.435 0.38 -0.072 0.461 0.44 -0.034 0.434434169278997 0.429101958268464 0.7236 0.9984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F02 mock treatment -0.438 0.0844 0.07 -0.33 0.203 0.19 -0.381 0.087434169278997 0.0863610091247209 0.2046 0.9111 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F03 compound treatment -1.182 -0.66 -0.58 -1.263 -0.73 -0.7 -1.108 -0.639565830721003 -0.631715849744159 -1.1029 -0.9974 3010993 CMLD2_000415 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F04 compound treatment -0.523 -5.55E-4 0.0 -0.486 0.047 0.04 -0.763 -0.294565830721003 -0.290950352756864 -0.1424 -0.4837 3130906 CMLD2_000416 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F05 compound treatment -1.262 -0.74 -0.65 -1.476 -0.943 -0.9 -1.277 -0.808565830721003 -0.798641556964023 -1.3572 -0.9919 3130907 CMLD2_000417 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F06 compound treatment -0.71 -0.188 -0.17 -0.855 -0.322 -0.31 -0.632 -0.163565830721003 -0.161558236509514 -0.3661 -0.9527 3011036 CMLD2_000418 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F07 compound treatment -0.323 0.199 0.18 -0.246 0.287 0.27 -0.642 -0.173565830721003 -0.171435497291755 0.1607 0.437 3130908 CMLD2_000419 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F08 compound treatment -0.694 -0.172 -0.15 -0.908 -0.375 -0.36 -1.842 -1.373565830721 -1.35670679116061 -1.0771 -0.7633 3130909 CMLD2_000420 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F09 mock treatment -0.29 0.232 0.21 -0.485 0.048 0.05 -0.508 -0.039565830721003 -0.0390802028097327 0.1225 0.5721 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F10 mock treatment -0.279 0.243 0.22 -0.368 0.165 0.16 -0.484 -0.015565830721003 -0.0153747769323556 0.2062 0.7722 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F11 compound treatment -1.452 -0.93 -0.82 -1.458 -0.925 -0.88 -1.152 -0.683565830721003 -0.675175797186017 -1.373 -0.9941 3011038 CMLD2_000421 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F12 compound treatment -1.057 -0.535 -0.47 -1.193 -0.66 -0.63 -1.478 -1.009565830721 -0.997174498687055 -1.2116 -0.954 3130910 CMLD2_000422 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F13 compound treatment -1.592 -1.07 -0.95 -1.388 -0.855 -0.81 -1.309 -0.840565830721003 -0.830248791467192 -1.4955 -0.9977 3011039 CMLD2_000423 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F14 compound treatment 2.718 3.24 1.59 2.283 2.82 1.67 2.937 3.405434169279 1.76424493357762 2.9 0.9991 3130911 CMLD2_000424 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F15 compound treatment -1.711 -1.19 -1.05 -1.247 -0.714 -0.68 -1.039 -0.570565830721003 -0.5635627503467 -1.3247 -0.965 3130912 CMLD2_000425 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OC\C=C(/C)\CCC=C(C)C)n3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F16 compound treatment -0.992 -0.47 -0.42 -0.565 -0.032 -0.03 -0.51 -0.041565830721003 -0.0410556549661808 -0.281 -0.6717 3011040 CMLD2_000426 O[C@@H](COCc1ccco1)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(Cc6cc7OCOc7cc6Cl)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F17 mock treatment -0.055 0.467 0.41 -0.354 0.179 0.17 -0.273 0.195434169278997 0.193035425572918 0.4485 0.921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F18 mock treatment -0.518 0.00445 0.0 -0.836 -0.303 -0.29 -0.5 -0.031565830721003 -0.0311783941839403 -0.1824 -0.6281 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F19 compound treatment -0.355 0.167 0.15 -0.328 0.205 0.2 -0.169 0.299434169278997 0.295758937708218 0.369 0.9607 3011041 CMLD2_000427 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F20 compound treatment -0.191 0.331 0.29 -0.206 0.327 0.31 -0.246 0.222434169278997 0.219704029684967 0.4759 0.9897 3130913 CMLD2_000428 C[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F21 compound treatment 3.714 4.24 1.66 3.757 4.29 1.79 4.517 4.985434169279 1.87496824138569 3.0726 0.9987 3130914 CMLD2_000429 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F22 compound treatment 0.0 0.522 0.46 -0.264 0.269 0.26 -0.443 0.025434169278997 0.0251219922748302 0.4292 0.8115 3011043 CMLD2_000430 C[C@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC1=O)[C@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F23 compound treatment 0.515 1.04 0.92 0.753 1.29 1.23 0.153 0.621434169278997 0.61380673489636 1.5913 0.965 3130915 CMLD2_000431 CO[C@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 F24 compound treatment 2.034 2.56 1.52 1.701 2.23 1.6 2.651 3.119434169279 1.73604908383079 2.801 0.9985 3011044 CMLD2_000432 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G01 compound treatment -0.091 0.431 0.38 -0.284 0.249 0.24 -0.25 0.218434169278997 0.215753125372071 0.4818 0.9668 3130916 CMLD2_000433 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G02 compound treatment -0.067 0.455 0.4 -0.212 0.321 0.31 -0.4 0.068434169278997 0.067594213638464 0.4481 0.8783 3130917 CMLD2_000434 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G03 mock treatment -0.398 0.124 0.11 -0.234 0.299 0.28 -0.37 0.098434169278997 0.0972259959851854 0.2841 0.8865 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G04 mock treatment -0.382 0.14 0.12 -0.317 0.216 0.21 -0.177 0.291434169278997 0.287857129082426 0.3567 0.9512 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G05 compound treatment -0.367 0.155 0.14 0.256 0.789 0.75 0.164 0.632434169278997 0.624671721756825 0.874 0.8855 3011046 CMLD2_000435 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G06 compound treatment 0.804 1.33 1.17 0.402 0.935 0.89 0.889 1.357434169279 1.34077312846926 1.9654 0.9869 3130918 CMLD2_000436 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G07 compound treatment -0.6 -0.0776 -0.07 -0.177 0.356 0.34 -0.457 0.011434169278997 0.0112938271796935 0.1628 0.4701 3130919 CMLD2_000437 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G08 compound treatment 0.144 0.666 0.59 0.6 1.13 1.08 -0.236 0.232434169278997 0.229581290467207 1.0959 0.876 3011047 CMLD2_000438 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G09 compound treatment -0.452 0.0704 0.06 -0.565 -0.032 -0.03 -0.558 -0.089565830721003 -0.088466506720935 -0.0327 -0.2909 3130920 CMLD2_000439 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G10 compound treatment -0.127 0.395 0.35 -0.288 0.245 0.23 -0.216 0.252434169278997 0.249335812031688 0.4806 0.9833 3011048 CMLD2_000440 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G11 compound treatment -1.144 -0.622 -0.55 -1.375 -0.842 -0.8 -1.5 -1.031565830721 -1.01890447240798 -1.3686 -0.9718 3130921 CMLD2_000441 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G12 compound treatment -0.846 -0.324 -0.29 -0.689 -0.156 -0.15 -1.035 -0.566565830721003 -0.559611846033804 -0.574 -0.8888 3131048 CMLD2_000442 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C5CCCCC5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G13 compound treatment -0.524 -0.00155 0.0 -0.542 -0.00895 -0.01 -0.68 -0.211565830721003 -0.208969088264268 -0.1264 -0.6042 3011049 CMLD2_000443 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C4CCCCC4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G14 compound treatment 0.262 0.784 0.69 -0.339 0.194 0.18 -0.505 -0.036565830721003 -0.0361170245750606 0.4863 0.6767 3131049 CMLD2_000444 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(CC)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G15 compound treatment -1.143 -0.621 -0.55 -0.988 -0.455 -0.43 -1.0 -0.531565830721003 -0.525041433295962 -0.8701 -0.9951 3011050 CMLD2_000445 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OCCCC#C)n3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G16 compound treatment 0.0 0.522 0.46 0.113 0.646 0.62 0.1 0.568434169278997 0.561457252750486 0.9462 0.9933 3131050 CMLD2_000446 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G17 compound treatment -0.317 0.205 0.18 -0.368 0.165 0.16 -0.078 0.390434169278997 0.385642010826606 0.4183 0.9206 3131051 CMLD2_000447 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G18 compound treatment -0.308 0.214 0.19 -0.181 0.352 0.34 -0.297 0.171434169278997 0.169329999695541 0.4009 0.9525 3011052 CMLD2_000448 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G19 mock treatment -0.297 0.225 0.2 -0.115 0.418 0.4 -0.51 -0.041565830721003 -0.0410556549661808 0.3213 0.7184 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G20 mock treatment 0.141 0.663 0.59 -0.475 0.058 0.06 -0.533 -0.064565830721003 -0.0637733547653338 0.3338 0.5632 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G21 compound treatment -0.244 0.278 0.25 -0.091 0.442 0.42 -0.086 0.382434169278997 0.377740202200814 0.6033 0.978 3131052 CMLD2_000449 CO[C@@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)NC(=O)C\C=C\[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G22 compound treatment -0.181 0.341 0.3 0.057 0.59 0.56 0.039 0.507434169278997 0.501205961978819 0.7882 0.9714 3011053 CMLD2_000450 C[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G23 compound treatment -0.303 0.219 0.19 -0.394 0.139 0.13 -0.269 0.199434169278997 0.196986329885814 0.3022 0.9858 3131053 CMLD2_000451 C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@@H]3CCCN3C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 G24 compound treatment 0.475 0.997 0.88 0.639 1.17 1.12 0.859 1.327434169279 1.31114134612254 1.9108 0.9876 3131054 CMLD2_000452 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H01 compound treatment -0.546 -0.0236 -0.02 0.076 0.609 0.58 2.845 3.313434169279 1.75555466854072 1.3365 0.7228 3011098 CMLD2_000453 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H02 compound treatment -0.16 0.362 0.32 -0.427 0.106 0.1 1.253 1.721434169279 1.51694693370561 1.1191 0.7203 3131055 CMLD2_000454 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H03 mock treatment 0.088 0.61 0.54 -0.542 -0.00895 -0.01 0.466 0.934434169278997 0.922964997380486 0.8395 0.7852 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H04 mock treatment -0.489 0.0334 0.03 -0.506 0.027 0.03 0.431 0.899434169278997 0.888394584642645 0.5449 0.6127 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H05 compound treatment 1.047 1.57 1.36 -0.925 -0.392 -0.37 -0.848 -0.379565830721003 -0.374907069405908 0.3514 0.2413 3131056 CMLD2_000455 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H06 compound treatment -0.716 -0.194 -0.17 -0.542 -0.00895 -0.01 -0.085 0.383434169278997 0.378727928279038 0.1149 0.2765 3011099 CMLD2_000456 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H07 compound treatment -0.12 0.402 0.36 -1.227 -0.694 -0.66 -0.466 0.00243416927899698 0.00240429247567713 -0.1749 -0.2329 3131057 CMLD2_000457 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H08 compound treatment -0.588 -0.0656 -0.06 -0.882 -0.349 -0.33 1.074 1.542434169279 1.47131671715608 0.6241 0.4134 3011100 CMLD2_000458 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N([C@@H](C)c5ccccc5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H09 compound treatment -1.472 -0.95 -0.84 -1.976 -1.44 -1.37 -0.892 -0.423565830721003 -0.418367016847766 -1.5199 -0.9133 3131058 CMLD2_000459 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H10 compound treatment -1.06 -0.538 -0.48 -1.577 -1.04 -0.99 -1.331 -0.862565830721003 -0.851978765188121 -1.3405 -0.9622 3131059 CMLD2_000460 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H11 compound treatment -0.54 -0.0176 -0.02 -0.652 -0.119 -0.11 -0.712 -0.243565830721003 -0.240576322767438 -0.2133 -0.8007 3011101 CMLD2_000461 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)C(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H12 compound treatment -0.181 0.341 0.3 -0.183 0.35 0.33 -0.291 0.177434169278997 0.175256356164885 0.468 0.9695 3131060 CMLD2_000462 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H13 compound treatment -0.133 0.389 0.34 -0.461 0.072 0.07 -0.469 -5.65830721002969E-4 -5.58885758994946E-4 0.2381 0.6782 3131061 CMLD2_000463 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H14 compound treatment -1.307 -0.785 -0.69 -1.24 -0.707 -0.67 -1.168 -0.699565830721003 -0.690979414437602 -1.1882 -0.9999 3011102 CMLD2_000464 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H15 compound treatment -0.98 -0.458 -0.4 -0.907 -0.374 -0.36 -0.582 -0.113565830721003 -0.112171932598312 -0.504 -0.9154 3131062 CMLD2_000465 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OC[C@@H](O)COCc6ccco6)n3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H16 compound treatment -0.571 -0.0486 -0.04 -0.172 0.361 0.34 0.454 0.922434169278997 0.911112284441798 0.6998 0.7179 3011103 CMLD2_000466 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H17 compound treatment -0.748 -0.226 -0.2 -0.837 -0.304 -0.29 -0.577 -0.108565830721003 -0.107233302207192 -0.3442 -0.9365 3131063 CMLD2_000467 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H18 compound treatment -0.078 0.444 0.39 -0.222 0.311 0.3 -0.245 0.223434169278997 0.220691755763191 0.5254 0.974 3011104 CMLD2_000468 CCN1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H19 mock treatment -0.165 0.357 0.32 0.616 1.15 1.09 0.856 1.324434169279 1.30817816788786 1.5697 0.9049 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H20 mock treatment -0.606 -0.0836 -0.07 -0.452 0.081 0.08 -0.463 0.00543416927899698 0.00536747071034927 0.005 0.047 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H21 compound treatment 0.792 1.31 1.16 1.235 1.77 1.51 0.03 0.498434169278997 0.492316427274803 1.8294 0.9281 3131064 CMLD2_000469 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H22 compound treatment 0.235 0.757 0.67 0.232 0.765 0.73 -0.1 0.368434169278997 0.363912037105677 1.0175 0.9649 3011105 CMLD2_000470 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H23 compound treatment 0.12 0.642 0.57 0.456 0.989 0.94 0.355 0.823434169278997 0.813327402697617 1.3415 0.9805 3131065 CMLD2_000471 CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 H24 compound treatment 0.325 0.847 0.75 0.343 0.876 0.83 -0.115 0.353434169278997 0.349096145932317 1.116 0.9501 3131066 CMLD2_000472 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I01 compound treatment -0.971 -0.449 -0.4 -0.358 0.175 0.17 -0.531 -0.062565830721003 -0.0617979026088857 -0.1684 -0.3874 3011106 CMLD2_000473 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccccc5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I02 compound treatment 0.0 0.522 0.46 0.024 0.557 0.53 0.212 0.680434169278997 0.672082573511579 0.9611 0.9878 3131067 CMLD2_000474 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccccc4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I03 compound treatment -0.376 0.146 0.13 -0.813 -0.28 -0.27 -0.531 -0.062565830721003 -0.0617979026088857 -0.1149 -0.3794 3131183 CMLD2_000475 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I04 compound treatment -0.451 0.0714 0.06 -0.414 0.119 0.11 -0.294 0.174434169278997 0.172293177930213 0.2014 0.9337 3011108 CMLD2_000476 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I05 mock treatment -0.698 -0.176 -0.16 -0.466 0.067 0.06 -0.333 0.135434169278997 0.133771860879475 0.0245 0.1142 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I06 mock treatment -0.172 0.35 0.31 -0.239 0.294 0.28 -0.4 0.068434169278997 0.067594213638464 0.3796 0.8972 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I07 compound treatment 0.468 0.99 0.88 0.1 0.633 0.6 0.167 0.635434169278997 0.627634899991497 1.2161 0.985 3131184 CMLD2_000477 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I08 compound treatment 3.053 3.58 1.61 1.475 2.01 1.56 1.812 2.280434169279 1.62665193759177 2.7711 0.9998 3011109 CMLD2_000478 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I09 compound treatment -1.788 -1.27 -1.12 -1.403 -0.87 -0.83 -1.492 -1.023565830721 -1.01100266378219 -1.7082 -0.9927 3131185 CMLD2_000479 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I10 compound treatment -1.595 -1.07 -0.95 -1.364 -0.831 -0.79 -1.528 -1.059565830721 -1.04656080259826 -1.6087 -0.9937 3131186 CMLD2_000480 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I11 compound treatment -0.465 0.0574 0.05 -0.839 -0.306 -0.29 -0.233 0.235434169278997 0.232544468701879 -0.0047 -0.0125 3011110 CMLD2_000481 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I12 compound treatment -0.169 0.353 0.31 -0.507 0.026 0.02 -0.494 -0.025565830721003 -0.0252520377145961 0.1802 0.5729 3131187 CMLD2_000482 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I13 compound treatment 1.0 1.52 1.35 1.098 1.63 1.48 1.165 1.633434169279 1.49532589030118 2.4973 0.9989 3131188 CMLD2_000483 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I14 compound treatment -1.104 -0.582 -0.51 -1.163 -0.63 -0.6 -0.863 -0.394565830721003 -0.389722960579268 -0.8683 -0.9855 3011112 CMLD2_000484 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I15 compound treatment -1.116 -0.594 -0.52 -0.784 -0.251 -0.24 -0.63 -0.161565830721003 -0.159582784353066 -0.5331 -0.891 3131189 CMLD2_000485 Cn1c(=O)n2CC[C@H]/3[C@H]([C@H](O)[C@@H]4O[C@@H]4\C3=N/OCc5ccccc5)n2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I16 compound treatment -0.5 0.0224 0.02 -0.269 0.264 0.25 -0.2 0.268434169278997 0.265139429283273 0.3098 0.8463 3011154 CMLD2_000486 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I17 compound treatment -0.656 -0.134 -0.12 -0.516 0.017 0.02 -0.5 -0.031565830721003 -0.0311783941839403 -0.0768 -0.6233 3131190 CMLD2_000487 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I18 compound treatment -0.704 -0.182 -0.16 -0.638 -0.105 -0.1 -0.911 -0.442565830721003 -0.437133812334022 -0.4028 -0.8457 3010995 CMLD2_000488 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I19 compound treatment -0.489 0.0334 0.03 -0.61 -0.077 -0.07 -0.588 -0.119565830721003 -0.118098289067656 -0.0934 -0.6575 3131191 CMLD2_000489 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I20 compound treatment 0.146 0.668 0.59 0.343 0.876 0.83 0.325 0.793434169278997 0.783695620350896 1.2755 0.99 3131192 CMLD2_000490 C[C@H]/1COC(=O)C\C=C\[C@H](C)[C@H](COC(=O)C\C=C1)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I21 mock treatment -0.41 0.112 0.1 -0.431 0.102 0.1 -0.403 0.065434169278997 0.0646310354037919 0.1508 0.9837 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I22 mock treatment -0.513 0.00945 0.01 -0.447 0.086 0.08 -0.341 0.127434169278997 0.125870052253683 0.1248 0.8297 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I23 compound treatment -0.691 -0.169 -0.15 -0.315 0.218 0.21 -0.492 -0.023565830721003 -0.023276585558148 0.0205 0.0797 3131193 CMLD2_000491 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 I24 compound treatment 0.759 1.28 1.13 0.536 1.07 1.02 0.522 0.990434169278997 0.978277657761033 1.8069 0.998 3011157 CMLD2_000492 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J01 compound treatment -0.518 0.00445 0.0 -0.562 -0.029 -0.03 -0.466 0.00243416927899698 0.00240429247567713 -0.0123 -0.4387 3131194 CMLD2_000493 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J02 compound treatment -0.924 -0.402 -0.36 -0.426 0.107 0.1 -0.613 -0.144565830721003 -0.142791441023257 -0.2285 -0.5771 3011158 CMLD2_000494 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J03 compound treatment 0.176 0.698 0.62 0.0 0.533 0.51 -0.122 0.346434169278997 0.342182063384748 0.8473 0.9743 3131195 CMLD2_000495 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J04 compound treatment 3.154 3.68 1.62 2.932 3.47 1.73 2.809 3.277434169279 1.75205980003276 2.9478 0.9994 3011159 CMLD2_000496 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J05 mock treatment -0.056 0.466 0.41 -0.279 0.254 0.24 -0.136 0.332434169278997 0.328353898289612 0.5674 0.9782 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J06 mock treatment -0.478 0.0444 0.04 -0.538 -0.00495 0.0 -0.366 0.102434169278997 0.101176900298082 0.0784 0.7214 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J07 compound treatment -0.623 -0.101 -0.09 -0.54 -0.00695 -0.01 0.085 0.553434169278997 0.546641361577126 0.2605 0.4702 3131196 CMLD2_000497 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J08 compound treatment -0.123 0.399 0.35 -0.365 0.168 0.16 -0.379 0.089434169278997 0.088336461281169 0.3473 0.8734 3131197 CMLD2_000498 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J09 compound treatment -0.547 -0.0246 -0.02 -0.618 -0.085 -0.08 -0.583 -0.114565830721003 -0.113159658676536 -0.1246 -0.8848 3011160 CMLD2_000499 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)C(C)(C)C)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J10 compound treatment -1.113 -0.591 -0.52 -0.905 -0.372 -0.35 -1.062 -0.593565830721003 -0.586280450145853 -0.8445 -0.9805 3131198 CMLD2_000500 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J11 compound treatment -0.123 0.399 0.35 0.057 0.59 0.56 -0.269 0.199434169278997 0.196986329885814 0.6422 0.9274 3011161 CMLD2_000501 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J12 compound treatment 1.116 1.64 1.37 0.681 1.21 1.16 0.753 1.221434169279 1.20644238183079 2.1566 0.9973 3131199 CMLD2_000502 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J13 compound treatment -1.22 -0.698 -0.62 -1.01 -0.477 -0.45 -0.909 -0.440565830721003 -0.435158360177574 -0.8696 -0.9871 3131200 CMLD2_000503 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J14 compound treatment -0.868 -0.346 -0.31 -0.521 0.012 0.01 -0.577 -0.108565830721003 -0.107233302207192 -0.2317 -0.7151 3011162 CMLD2_000504 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J15 compound treatment -0.396 0.126 0.11 -0.479 0.054 0.05 -0.48 -0.011565830721003 -0.0114238726194594 0.0877 0.7093 3131201 CMLD2_000505 CC(C)CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(C)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J16 compound treatment -0.41 0.112 0.1 -0.528 0.00505 0.0 -0.467 0.00143416927899698 0.00141656639745309 0.061 0.6127 3011163 CMLD2_000506 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J17 compound treatment -0.472 0.0504 0.04 -0.636 -0.103 -0.1 -0.559 -0.090565830721003 -0.089454232799159 -0.0825 -0.5893 3131202 CMLD2_000507 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J18 compound treatment -0.537 -0.0146 -0.01 -0.016 0.517 0.49 -0.225 0.243434169278997 0.240446277327672 0.4158 0.7583 3011164 CMLD2_000508 CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J19 compound treatment -0.102 0.42 0.37 0.129 0.662 0.63 -0.074 0.394434169278997 0.389592915139502 0.8037 0.9691 3131320 CMLD2_000509 CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J20 compound treatment -0.048 0.474 0.42 0.095 0.628 0.6 0.031 0.499434169278997 0.493304153353027 0.8724 0.9896 3131321 CMLD2_000510 C[C@@H]1/C=C/CC(=O)OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC[C@H]3O[C@H]1C=C[C@@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J21 mock treatment -0.391 0.131 0.12 -0.375 0.158 0.15 -0.281 0.187434169278997 0.185133616947125 0.2609 0.983 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J22 mock treatment -0.226 0.296 0.26 -0.38 0.153 0.15 -0.206 0.262434169278997 0.259213072813929 0.3852 0.9716 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J23 compound treatment -0.015 0.507 0.45 0.532 1.07 1.01 0.288 0.756434169278997 0.747149755456606 1.2762 0.9541 1952481 CMLD2_000511 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 J24 compound treatment 0.464 0.986 0.87 0.228 0.761 0.73 1.032 1.500434169279 1.45961250158047 1.7648 0.9548 3131322 CMLD2_000512 CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K01 compound treatment -0.069 0.453 0.4 0.032 0.565 0.54 -0.258 0.210434169278997 0.207851316746278 0.6622 0.9425 3131323 CMLD2_000513 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccccc5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K02 compound treatment 0.193 0.715 0.63 1.837 2.37 1.62 1.535 2.003434169279 1.57745175011055 2.2094 0.9419 3011055 CMLD2_000514 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K03 compound treatment -0.187 0.335 0.3 -0.206 0.327 0.31 -0.149 0.319434169278997 0.315513459272699 0.5333 0.9996 3131324 CMLD2_000515 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K04 compound treatment -0.422 0.1 0.09 -0.359 0.174 0.17 -0.733 -0.264565830721003 -0.261318570410143 -0.0039 -0.012 3011057 CMLD2_000516 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K05 compound treatment -0.69 -0.168 -0.15 -0.39 0.143 0.14 0.0 0.468434169278997 0.462684644928082 0.2603 0.5159 3131325 CMLD2_000517 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K06 compound treatment -0.687 -0.165 -0.15 -1.842 -1.31 -1.25 -0.136 0.332434169278997 0.328353898289612 -0.6144 -0.4734 3131326 CMLD2_000518 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K07 mock treatment -0.282 0.24 0.21 -0.095 0.438 0.42 -0.491 -0.022565830721003 -0.0222888594799239 0.3508 0.7482 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K08 mock treatment 0.71 1.23 1.09 -0.333 0.2 0.19 0.221 0.689434169278997 0.680972108215596 1.1323 0.8717 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K09 compound treatment -0.566 -0.0436 -0.04 -2.139 -1.61 -1.53 -1.886 -1.417565830721 -1.40016673860247 -1.7139 -0.8263 3011058 CMLD2_000519 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K10 compound treatment -0.444 0.0784 0.07 -0.548 -0.015 -0.01 -0.451 0.017434169278997 0.0172201836490378 0.0418 0.5731 3131327 CMLD2_000520 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K11 compound treatment -0.643 -0.121 -0.11 -0.569 -0.036 -0.03 -0.817 -0.348565830721003 -0.344287560980962 -0.2801 -0.7736 3011059 CMLD2_000521 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K12 compound treatment -0.704 -0.182 -0.16 -0.756 -0.223 -0.21 -0.287 0.181434169278997 0.179207260477781 -0.1118 -0.3485 3131328 CMLD2_000522 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K13 compound treatment -1.439 -0.917 -0.81 -1.266 -0.733 -0.7 -1.145 -0.676565830721003 -0.668261714638449 -1.2568 -0.9965 3131329 CMLD2_000523 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C5CCCCC5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K14 compound treatment -0.324 0.198 0.18 -0.489 0.044 0.04 -0.64 -0.171565830721003 -0.169460045135307 0.0277 0.1118 3011060 CMLD2_000524 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCc3ccccc3)/[C@H]4CCn5n([C@@H]14)c(=O)n(c6ccccc6)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K15 mock treatment -0.259 0.263 0.23 -0.231 0.302 0.29 -0.282 0.186434169278997 0.184145890868901 0.4069 0.9842 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K16 mock treatment 0.5 1.02 0.9 -0.136 0.397 0.38 -0.051 0.417434169278997 0.412310614938655 0.9783 0.9203 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K17 compound treatment 0.238 0.76 0.67 0.068 0.601 0.57 0.059 0.527434169278997 0.5209604835433 1.0195 0.9944 3131330 CMLD2_000525 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K18 compound treatment -0.452 0.0704 0.06 -0.287 0.246 0.23 -0.121 0.347434169278997 0.343169789462972 0.3694 0.8791 3011061 CMLD2_000526 O[C@@H]1[C@@H]2O[C@@H]2C(=O)[C@H]3CCn4n([C@@H]13)c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K19 compound treatment 0.604 1.13 1.0 -0.247 0.286 0.27 -0.288 0.180434169278997 0.178219534399557 0.8352 0.7971 3131331 CMLD2_000527 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K20 compound treatment -0.421 0.101 0.09 -0.041 0.492 0.47 -0.025 0.443434169278997 0.437991492972481 0.5753 0.8881 3011062 CMLD2_000528 C[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](Cc2ccccc2)NC1=O)NS(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K21 compound treatment 2.684 3.21 1.58 2.476 3.01 1.69 2.167 2.635434169279 1.67887335561972 2.8607 0.9996 3011070 CMLD2_000529 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K22 compound treatment 2.681 3.2 1.58 3.409 3.94 1.77 2.154 2.622434169279 1.67713671041373 2.9038 0.999 3011072 CMLD2_000530 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)COC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K23 mock treatment -0.548 -0.0256 -0.02 -0.434 0.099 0.09 -0.389 0.079434169278997 0.0784592004989285 0.0867 0.6951 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 K24 mock treatment 0.227 0.749 0.66 1.471 2.0 1.56 1.406 1.874434169279 1.55128081483939 2.1785 0.9483 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L01 compound treatment -0.466 0.0564 0.05 -0.236 0.297 0.28 0.065 0.533434169278997 0.526886840012645 0.4964 0.8271 3131332 CMLD2_000531 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L02 compound treatment -0.071 0.451 0.4 -0.635 -0.102 -0.1 0.124 0.592434169278997 0.585162678627863 0.5122 0.7164 3131333 CMLD2_000532 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L03 compound treatment -0.645 -0.123 -0.11 -0.674 -0.141 -0.13 -0.836 -0.367565830721003 -0.363054356467219 -0.3497 -0.8699 3011074 CMLD2_000533 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L04 compound treatment -1.206 -0.684 -0.6 -1.757 -1.22 -1.17 -1.275 -0.806565830721003 -0.796666104807574 -1.4821 -0.9648 3131334 CMLD2_000534 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L05 compound treatment -0.853 -0.331 -0.29 -0.798 -0.265 -0.25 -0.951 -0.482565830721003 -0.476642855462984 -0.5896 -0.9612 3131335 CMLD2_000535 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L06 compound treatment -1.261 -0.739 -0.65 -1.184 -0.651 -0.62 -0.6 -0.131565830721003 -0.129951002006345 -0.81 -0.8903 3011078 CMLD2_000536 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L07 mock treatment -0.353 0.169 0.15 -0.794 -0.261 -0.25 -0.589 -0.120565830721003 -0.11908601514588 -0.1258 -0.401 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L08 mock treatment -0.082 0.44 0.39 -0.388 0.145 0.14 -0.428 0.040434169278997 0.0399378834481908 0.3277 0.7893 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L09 compound treatment -1.241 -0.719 -0.64 -1.2 -0.667 -0.64 -1.055 -0.586565830721003 -0.579366367598285 -1.0681 -0.9991 3011128 CMLD2_000537 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L10 compound treatment -0.684 -0.162 -0.14 -1.122 -0.589 -0.56 -0.138 0.330434169278997 0.326378446133164 -0.218 -0.3279 3131336 CMLD2_000538 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L11 compound treatment -0.756 -0.234 -0.21 -0.833 -0.3 -0.29 -0.124 0.344434169278997 0.3402066112283 -0.0878 -0.1792 3011131 CMLD2_000539 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L12 compound treatment 2.475 3.0 1.56 4.236 4.77 1.82 1.573 2.041434169279 1.58473241399702 2.868 0.9976 3131337 CMLD2_000540 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L13 compound treatment -0.6 -0.0776 -0.07 -0.786 -0.253 -0.24 -0.42 0.048434169278997 0.0478396920739832 -0.1511 -0.5924 3131338 CMLD2_000541 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L14 compound treatment -0.297 0.225 0.2 -0.488 0.045 0.04 -0.548 -0.079565830721003 -0.0785892459386945 0.0945 0.4324 3011134 CMLD2_000542 CC(C)CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L15 mock treatment 0.198 0.72 0.64 -0.343 0.19 0.18 -0.333 0.135434169278997 0.133771860879475 0.5495 0.8134 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L16 mock treatment -0.09 0.432 0.38 -0.125 0.408 0.39 -0.156 0.312434169278997 0.308599376725131 0.6233 0.9949 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L17 compound treatment 0.125 0.647 0.57 -0.35 0.183 0.17 0.409 0.877434169278997 0.866664610921716 0.9315 0.8845 3131454 CMLD2_000543 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L18 compound treatment -0.36 0.162 0.14 -0.442 0.091 0.09 -0.322 0.146434169278997 0.14463684773994 0.2165 0.9774 3011136 CMLD2_000544 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]4[C@H]([C@H](O)[C@@H]5O[C@@H]5C4=O)n3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L19 compound treatment 1.714 2.24 1.48 1.766 2.3 1.61 0.559 1.027434169279 1.01482352265532 2.3663 0.9831 3131455 CMLD2_000545 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L20 compound treatment -0.747 -0.225 -0.2 -0.852 -0.319 -0.3 1.321 1.789434169279 1.53268523868155 0.5948 0.3777 3131456 CMLD2_000546 C[C@@H]1NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L21 compound treatment 0.336 0.858 0.76 0.426 0.959 0.91 0.097 0.565434169278997 0.558494074515814 1.2881 0.9814 3011138 CMLD2_000547 CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L22 compound treatment 0.125 0.647 0.57 0.195 0.728 0.69 0.437 0.905434169278997 0.894320941111989 1.2473 0.9834 3131457 CMLD2_000548 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L23 mock treatment -0.393 0.129 0.11 -0.203 0.33 0.31 -0.527 -0.058565830721003 -0.0578469982959896 0.2142 0.6308 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 L24 mock treatment -0.467 0.0554 0.05 -0.495 0.038 0.04 -0.598 -0.129565830721003 -0.127975549849897 -0.0247 -0.174 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M01 compound treatment -0.676 -0.154 -0.14 -0.682 -0.149 -0.14 -0.5 -0.031565830721003 -0.0311783941839403 -0.1783 -0.8967 3011140 CMLD2_000549 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M02 compound treatment -0.377 0.145 0.13 -0.661 -0.128 -0.12 -0.485 -0.016565830721003 -0.0163625030105797 -0.0056 -0.0314 3131458 CMLD2_000550 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccccc5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M03 compound treatment -1.833 -1.31 -1.16 -1.197 -0.664 -0.63 -0.969 -0.500565830721003 -0.494421924871017 -1.3196 -0.9361 3131459 CMLD2_000551 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M04 compound treatment -1.627 -1.1 -0.98 -1.714 -1.18 -1.13 -1.341 -0.872565830721003 -0.861856025970361 -1.7109 -0.9941 3011143 CMLD2_000552 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M05 compound treatment -0.925 -0.403 -0.36 -0.75 -0.217 -0.21 -0.649 -0.180565830721003 -0.178349579839323 -0.4278 -0.9537 3011168 CMLD2_000553 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M06 compound treatment -0.925 -0.403 -0.36 -0.805 -0.272 -0.26 -1.22 -0.751565830721003 -0.742341170505252 -0.7836 -0.908 3131460 CMLD2_000554 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M07 compound treatment 1.614 2.14 1.46 1.971 2.5 1.63 1.635 2.103434169279 1.59622632290035 2.7097 0.9989 3011171 CMLD2_000555 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M08 compound treatment -1.528 -1.01 -0.89 -1.197 -0.664 -0.63 -1.439 -0.970565830721003 -0.958653181636318 -1.4319 -0.9859 3131461 CMLD2_000556 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M09 mock treatment 0.132 0.654 0.58 -0.22 0.313 0.3 -0.268 0.200434169278997 0.197974055964038 0.6205 0.9121 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M10 mock treatment -0.235 0.287 0.25 -0.409 0.124 0.12 -0.349 0.119434169278997 0.11796824362789 0.2831 0.9309 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M11 compound treatment 0.928 1.45 1.28 0.097 0.63 0.6 0.338 0.806434169278997 0.796536059367809 1.5468 0.9521 3011173 CMLD2_000557 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C4CCCCC4)C3=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M12 compound treatment -0.828 -0.306 -0.27 -0.69 -0.157 -0.15 -0.698 -0.229565830721003 -0.226748157672301 -0.3732 -0.9742 3131462 CMLD2_000558 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(CC)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M13 mock treatment -0.477 0.0454 0.04 -0.257 0.276 0.26 -0.513 -0.044565830721003 -0.0440188332008529 0.1496 0.5548 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M14 mock treatment -0.515 0.00745 0.01 -0.522 0.011 0.01 -0.243 0.225434169278997 0.222667207919639 0.1384 0.6207 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M15 compound treatment 0.315 0.837 0.74 0.118 0.651 0.62 0.45 0.918434169278997 0.907161380128902 1.3093 0.9881 3131463 CMLD2_000559 CC(=CCC/C(=C/CO\N=C\1/[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(C)c4=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M16 compound treatment -0.029 0.493 0.44 0.068 0.601 0.57 0.167 0.635434169278997 0.627634899991497 0.9448 0.9893 3011176 CMLD2_000560 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M17 compound treatment -0.394 0.128 0.11 -0.164 0.369 0.35 -0.17 0.298434169278997 0.294771211629994 0.4387 0.9283 3131464 CMLD2_000561 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M18 compound treatment -0.746 -0.224 -0.2 -0.511 0.022 0.02 -0.633 -0.164565830721003 -0.162545962587738 -0.1958 -0.7627 3011178 CMLD2_000562 Cn1c(=O)n2CC[C@H]3[C@H]([C@H](O)[C@@H]4O[C@@H]4C3=O)n2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M19 compound treatment 1.327 1.85 1.41 2.468 3.0 1.69 1.718 2.186434169279 1.61091239401262 2.7232 0.9973 3131465 CMLD2_000563 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M20 compound treatment -0.27 0.252 0.22 -0.232 0.301 0.29 -0.191 0.277434169278997 0.274028963987289 0.4526 0.9945 3011181 CMLD2_000564 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M21 compound treatment 0.961 1.48 1.31 1.462 2.0 1.56 1.273 1.741434169279 1.52165966899021 2.5352 0.9973 3131466 CMLD2_000565 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M22 compound treatment 1.719 2.24 1.48 1.937 2.47 1.63 3.277 3.745434169279 1.79365599715493 2.83 0.9969 3011183 CMLD2_000566 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M23 compound treatment -0.224 0.298 0.26 -0.215 0.318 0.3 -0.016 0.452434169278997 0.446881027676497 0.5853 0.9739 3131467 CMLD2_000567 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 M24 compound treatment -0.621 -0.0986 -0.09 -0.5 0.033 0.03 -0.286 0.182434169278997 0.180194986556005 0.0719 0.3549 3131468 CMLD2_000568 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N01 compound treatment -0.771 -0.249 -0.22 -0.497 0.036 0.03 -0.453 0.015434169278997 0.0152447314925897 -0.0982 -0.4407 3131469 CMLD2_000569 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4ccc(F)cc4F)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N02 compound treatment -0.619 -0.0966 -0.09 -0.495 0.038 0.04 -0.581 -0.112565830721003 -0.111184206520088 -0.0926 -0.6392 3011201 CMLD2_000570 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N03 compound treatment -0.798 -0.276 -0.24 -0.764 -0.231 -0.22 -0.526 -0.057565830721003 -0.0568592722177655 -0.3005 -0.902 3131470 CMLD2_000571 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N04 compound treatment -1.757 -1.23 -1.09 -1.365 -0.832 -0.79 -1.824 -1.355565830721 -1.33892772175257 -1.8608 -0.9791 3131471 CMLD2_000572 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N05 compound treatment 3.656 4.18 1.65 2.118 2.65 1.65 1.106 1.574434169279 1.47996322746086 2.7629 0.9987 3011203 CMLD2_000573 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N06 compound treatment -1.154 -0.632 -0.56 -0.541 -0.00795 -0.01 -0.535 -0.066565830721003 -0.0657488069217819 -0.3647 -0.6486 3131472 CMLD2_000574 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N07 compound treatment -0.467 0.0554 0.05 -0.152 0.381 0.36 -0.791 -0.322565830721003 -0.318606682947137 0.0539 0.1111 3011205 CMLD2_000575 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N08 compound treatment -1.0 -0.478 -0.42 -1.302 -0.769 -0.73 -1.067 -0.598565830721003 -0.591219080536973 -1.008 -0.9771 3131588 CMLD2_000576 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N09 mock treatment -0.209 0.313 0.28 -0.468 0.065 0.06 0.388 0.856434169278997 0.845922363279011 0.6842 0.7667 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N10 mock treatment -0.418 0.104 0.09 -0.4 0.133 0.13 -0.522 -0.053565830721003 -0.0529083679048693 0.0959 0.5797 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N11 compound treatment -0.641 -0.119 -0.1 -0.793 -0.26 -0.25 -1.0 -0.531565830721003 -0.525041433295962 -0.5066 -0.8588 3011207 CMLD2_000577 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N12 compound treatment -0.75 -0.228 -0.2 -0.674 -0.141 -0.13 -0.75 -0.281565830721003 -0.278109913739951 -0.3542 -0.9611 3131589 CMLD2_000578 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N13 mock treatment -0.553 -0.0306 -0.03 -0.607 -0.074 -0.07 -0.402 0.066434169278997 0.065618761482016 -0.0184 -0.1839 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N14 mock treatment -0.552 -0.0296 -0.03 0.753 1.29 1.23 -0.333 0.135434169278997 0.133771860879475 0.7695 0.6242 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N15 compound treatment -0.347 0.175 0.16 -0.405 0.128 0.12 -0.173 0.295434169278997 0.291808033395322 0.3285 0.9324 3131590 CMLD2_000579 Cn1c(=O)n2CC[C@H]/3[C@H]([C@H](O)[C@@H]4O[C@@H]4\C3=N/OCCCC#C)n2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N16 compound treatment -0.277 0.245 0.22 0.241 0.774 0.74 -0.234 0.234434169278997 0.231556742623655 0.6847 0.8529 3011210 CMLD2_000580 C[C@@H](N1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N17 compound treatment -0.27 0.252 0.22 -0.598 -0.065 -0.06 -0.574 -0.105565830721003 -0.10427012397252 0.0329 0.1297 3131591 CMLD2_000581 C[C@H](N1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N18 compound treatment -0.152 0.37 0.33 0.133 0.666 0.63 -0.429 0.039434169278997 0.0389501573699668 0.5779 0.8081 3011211 CMLD2_000582 O[C@@H]1[C@@H]2O[C@@H]2C(=O)[C@H]3CCn4n([C@@H]13)c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N19 compound treatment 1.8 2.32 1.49 0.346 0.879 0.84 1.423 1.891434169279 1.55486562742141 2.2408 0.9701 3131592 CMLD2_000583 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)COC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N20 compound treatment 2.448 2.97 1.56 2.844 3.38 1.73 2.822 3.290434169279 1.7533281244486 2.9109 0.9987 3131593 CMLD2_000584 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N21 compound treatment -0.121 0.401 0.35 0.026 0.559 0.53 0.667 1.135434169279 1.12149793910352 1.1599 0.8983 3011214 CMLD2_000585 CO[C@@H]1/C=C/CC(=O)N2CCC[C@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N22 compound treatment -0.625 -0.103 -0.09 -0.439 0.094 0.09 -0.592 -0.123565830721003 -0.122049193380552 -0.0711 -0.4028 3011226 CMLD2_000586 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N23 compound treatment 1.701 2.22 1.48 3.759 4.29 1.79 3.075 3.543434169279 1.77666936206021 2.9116 0.9963 3131594 CMLD2_000587 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 N24 compound treatment 0.479 1.0 0.89 0.506 1.04 0.99 0.554 1.022434169279 1.0098848922642 1.6657 0.9984 3131054 CMLD2_000588 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O01 compound treatment 0.243 0.765 0.68 0.078 0.611 0.58 1.831 2.299434169279 1.62972547730833 1.6677 0.8975 3131595 CMLD2_000589 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O02 compound treatment 0.396 0.918 0.81 -0.657 -0.124 -0.12 -0.659 -0.190565830721003 -0.188226840621563 0.292 0.3468 3011229 CMLD2_000590 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccccc5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O03 compound treatment -1.0 -0.478 -0.42 -0.588 -0.055 -0.05 -0.383 0.085434169278997 0.0843855569682728 -0.2253 -0.5194 3131596 CMLD2_000591 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O04 compound treatment -1.0 -0.478 -0.42 -0.771 -0.238 -0.23 -1.164 -0.695565830721003 -0.687028510124705 -0.7713 -0.9208 3011196 CMLD2_000592 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O05 compound treatment -0.388 0.134 0.12 0.031 0.564 0.54 -0.179 0.289434169278997 0.285881676925978 0.5439 0.8771 3131597 CMLD2_000593 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O06 compound treatment -0.833 -0.311 -0.27 -0.612 -0.079 -0.08 0.086 0.554434169278997 0.54762908765535 0.1142 0.1851 3131598 CMLD2_000594 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O07 compound treatment 0.855 1.38 1.22 -0.238 0.295 0.28 0.173 0.641434169278997 0.633561256460841 1.2312 0.8786 3011231 CMLD2_000595 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O08 compound treatment -0.126 0.396 0.35 -1.184 -0.651 -0.62 0.061 0.529434169278997 0.522935935699748 0.1462 0.1655 3131599 CMLD2_000596 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O09 compound treatment -0.313 0.209 0.19 -0.71 -0.177 -0.17 -0.309 0.159434169278997 0.157477286756852 0.1005 0.3397 3011237 CMLD2_000597 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O10 compound treatment 0.727 1.25 1.1 0.548 1.08 1.03 0.676 1.144434169279 1.13038747380754 1.885 0.9992 3131600 CMLD2_000598 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O11 mock treatment -0.245 0.277 0.25 -0.461 0.072 0.07 -0.315 0.153434169278997 0.151550930287508 0.2687 0.9067 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O12 mock treatment -0.487 0.0354 0.03 -0.472 0.061 0.06 -0.431 0.037434169278997 0.0369747052135187 0.073 0.9645 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O13 compound treatment -0.408 0.114 0.1 -0.27 0.263 0.25 -0.314 0.154434169278997 0.152538656365732 0.2912 0.9383 3011239 CMLD2_000599 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C5CCCCC5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O14 compound treatment 0.045 0.567 0.5 -0.451 0.082 0.08 -0.267 0.201434169278997 0.198961782042262 0.4496 0.8245 3131601 CMLD2_000600 CC(=CCC/C(=C/CO\N=C\1/[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O15 compound treatment 0.034 0.556 0.49 -0.216 0.317 0.3 -0.295 0.173434169278997 0.171305451851989 0.5573 0.9255 3131602 CMLD2_000601 Cn1c(=O)n2CC[C@H]/3[C@H]([C@H](O)[C@@H]4O[C@@H]4\C3=N/OC[C@@H](O)COCc5ccco5)n2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O16 compound treatment 0.236 0.758 0.67 0.146 0.679 0.65 0.153 0.621434169278997 0.61380673489636 1.115 0.9993 3012175 CMLD2_000602 CCOC(=O)CCN1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O17 compound treatment -0.115 0.407 0.36 0.033 0.566 0.54 -0.143 0.325434169278997 0.321439815742043 0.7049 0.9739 3012176 CMLD2_000603 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O18 compound treatment -0.648 -0.126 -0.11 -0.37 0.163 0.16 -0.217 0.251434169278997 0.248348085953464 0.169 0.5394 3012177 CMLD2_000604 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O19 compound treatment 0.367 0.889 0.79 0.573 1.11 1.05 -0.078 0.390434169278997 0.385642010826606 1.285 0.9378 3012178 CMLD2_000605 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)C/C=C/[C@H]1C)[C@@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O20 compound treatment 0.506 1.03 0.91 4.265 4.8 1.82 0.162 0.630434169278997 0.622696269600377 1.9349 0.9096 3012179 CMLD2_000606 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O21 compound treatment -0.352 0.17 0.15 0.0 0.533 0.51 0.152 0.620434169278997 0.612819008818136 0.734 0.9062 3131603 CMLD2_000607 CO[C@@H]1/C=C/CC(=O)N2CCC[C@H]2C(=O)OC[C@@H](C)C(=O)OC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O22 compound treatment 0.216 0.738 0.65 1.135 1.67 1.49 0.725 1.193434169279 1.17878605164051 1.9193 0.9544 3011105 CMLD2_000608 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O23 compound treatment -0.45 0.0724 0.06 0.949 1.48 1.41 0.563 1.031434169279 1.01877442696822 1.4403 0.8267 3012180 CMLD2_000609 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 O24 compound treatment 1.765 2.29 1.48 1.863 2.4 1.62 2.043 2.511434169279 1.66180243978399 2.7519 0.9989 3131604 CMLD2_000610 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P01 compound treatment -0.137 0.385 0.34 0.893 1.43 1.36 -0.254 0.214434169278997 0.211802221059175 1.1034 0.7789 3131605 CMLD2_000611 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P02 compound treatment -0.481 0.0414 0.04 -0.645 -0.112 -0.11 -0.386 0.082434169278997 0.0814223787336007 0.0066 0.0474 3012181 CMLD2_000612 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P03 compound treatment -0.607 -0.0846 -0.07 -0.591 -0.058 -0.06 -0.766 -0.297565830721003 -0.293913530991536 -0.2447 -0.7939 3131606 CMLD2_000613 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P04 compound treatment -1.01 -0.488 -0.43 -0.988 -0.455 -0.43 -0.772 -0.303565830721003 -0.29983988746088 -0.6722 -0.9873 3012182 CMLD2_000614 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P05 compound treatment -1.562 -1.04 -0.92 -1.844 -1.31 -1.25 -1.857 -1.388565830721 -1.37152268233397 -2.0435 -0.9871 3131723 CMLD2_000615 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P06 compound treatment -0.75 -0.228 -0.2 -1.208 -0.675 -0.64 -0.402 0.066434169278997 0.065618761482016 -0.4495 -0.664 3131724 CMLD2_000616 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P07 compound treatment 0.465 0.987 0.87 0.491 1.02 0.98 1.768 2.236434169279 1.61939732558211 2.0022 0.9615 3012183 CMLD2_000617 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P08 compound treatment -0.047 0.475 0.42 -0.557 -0.024 -0.02 -0.626 -0.157565830721003 -0.15563188004017 0.1397 0.3112 3131725 CMLD2_000618 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P09 compound treatment -0.7 -0.178 -0.16 -0.39 0.143 0.14 -0.71 -0.241565830721003 -0.23860087061099 -0.1497 -0.4731 3012184 CMLD2_000619 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)C(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P10 compound treatment -0.41 0.112 0.1 -0.78 -0.247 -0.24 -0.016 0.452434169278997 0.446881027676497 0.1796 0.3489 3131726 CMLD2_000620 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P11 mock treatment -0.064 0.458 0.41 -0.169 0.364 0.35 0.269 0.737434169278997 0.72838295997035 0.8548 0.9468 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P12 mock treatment -0.485 0.0374 0.03 -0.315 0.218 0.21 -0.252 0.216434169278997 0.213777673215623 0.2625 0.8752 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P13 compound treatment -0.132 0.39 0.35 -0.767 -0.234 -0.22 -0.313 0.155434169278997 0.153526382443956 0.1593 0.3631 3131727 CMLD2_000621 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P14 compound treatment 0.967 1.49 1.32 -0.793 -0.26 -0.25 0.463 0.931434169278997 0.920001819145814 1.1485 0.7066 3012185 CMLD2_000622 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCCCC#C)/[C@H]3CCn4n([C@@H]13)c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P15 compound treatment -0.33 0.192 0.17 -0.208 0.325 0.31 -0.27 0.198434169278997 0.19599860380759 0.3902 0.9657 3131728 CMLD2_000623 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCc3ccccc3)/[C@H]4CCn5n([C@@H]14)c(=O)n(Cc6cc7OCOc7cc6Cl)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P16 compound treatment -0.255 0.267 0.24 0.169 0.702 0.67 0.312 0.780434169278997 0.770855181333983 0.9677 0.9237 3012186 CMLD2_000624 CC(C)(C)N1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P17 compound treatment 0.214 0.736 0.65 -0.579 -0.046 -0.04 -0.291 0.177434169278997 0.175256356164885 0.4518 0.6687 3131729 CMLD2_000625 C[C@H](N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P18 compound treatment -0.667 -0.145 -0.13 -0.284 0.249 0.24 -0.291 0.177434169278997 0.175256356164885 0.1644 0.5113 3012187 CMLD2_000626 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C3=O)c4ccc(F)cc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P19 compound treatment 1.134 1.66 1.38 1.16 1.69 1.5 0.688 1.156434169279 1.14224018674622 2.319 0.994 3131730 CMLD2_000627 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)C/C=C/[C@H]1C)[C@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P20 compound treatment 2.322 2.84 1.55 2.889 3.42 1.73 1.279 1.747434169279 1.52305963627834 2.773 0.9984 3012188 CMLD2_000628 C[C@H]/1COC(=O)C\C=C\[C@@H](C)[C@H]2O[C@H](COC(=O)C\C=C1)[C@@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P21 compound treatment 1.256 1.78 1.4 0.385 0.918 0.87 1.014 1.482434169279 1.45446758958327 2.1535 0.9786 3131731 CMLD2_000629 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P22 compound treatment 3.074 3.6 1.61 2.045 2.58 1.64 2.101 2.569434169279 1.66993015348272 2.8456 0.9999 3012189 CMLD2_000630 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](C)COC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P23 compound treatment -0.449 0.0734 0.06 -0.316 0.217 0.21 -0.184 0.284434169278997 0.280943046534858 0.3191 0.8992 3131732 CMLD2_000631 CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@H](COC(=O)[C@H](OCc3ccccc3)/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2110 P24 compound treatment 2.089 2.61 1.52 1.682 2.22 1.59 1.41 1.878434169279 1.55212819015651 2.6968 0.9998 3131733 CMLD2_000632 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A01 compound treatment 2.647 3.17 1.58 3.366 3.9 1.77 2.323 2.791434169279 1.6988190713738 2.9129 0.999 3012190 CMLD2_000633 CO[C@@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A02 compound treatment -0.157 0.365 0.32 -0.308 0.225 0.21 -0.205 0.263434169278997 0.260200798892153 0.4605 0.9862 3131321 CMLD2_000634 C[C@@H]1/C=C/CC(=O)OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC[C@H]3O[C@H]1C=C[C@@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A03 compound treatment 0.632 1.15 1.02 0.616 1.15 1.09 1.0 1.468434169279 1.45041072315213 2.0587 0.9878 3131734 CMLD2_000635 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A04 compound treatment -0.769 -0.247 -0.22 -0.426 0.107 0.1 -0.5 -0.031565830721003 -0.0311783941839403 -0.085 -0.3502 3131735 CMLD2_000636 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A05 compound treatment -0.912 -0.39 -0.34 -1.345 -0.812 -0.77 -0.88 -0.411565830721003 -0.406514303909077 -0.8801 -0.9371 3012191 CMLD2_000637 C[C@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cn(nn4)[C@H](CO)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A06 compound treatment -0.722 -0.2 -0.18 -0.726 -0.193 -0.18 -0.937 -0.468565830721003 -0.462814690367848 -0.4752 -0.8995 3131736 CMLD2_000638 C[C@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cn(nn2)[C@H](CO)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A07 compound treatment 0.575 1.1 0.97 0.338 0.871 0.83 0.041 0.509434169278997 0.503181414135268 1.3298 0.969 3012192 CMLD2_000639 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCN2CCCCc3nc(C)c(C)cc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A08 compound treatment 0.117 0.639 0.57 -0.194 0.339 0.32 -0.333 0.135434169278997 0.133771860879475 0.5901 0.8878 3131737 CMLD2_000640 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A09 compound treatment -0.892 -0.37 -0.33 -0.831 -0.298 -0.28 -0.727 -0.258565830721003 -0.255392213940798 -0.5 -0.9949 3131738 CMLD2_000641 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)cc2)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A10 compound treatment -2.667 -2.14 -1.9 -2.415 -1.88 -1.79 -0.948 -0.479565830721003 -0.473679677228312 -2.4032 -0.9062 3012193 CMLD2_000642 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@@H](C)c2cc(no2)c3c(C)cc(C)cc3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A11 compound treatment -0.952 -0.43 -0.38 -0.559 -0.026 -0.02 -0.554 -0.085565830721003 -0.0845156024080388 -0.2823 -0.7242 3131739 CMLD2_000643 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@H](C)c4cn(nn4)[C@@H]5COC[C@H]5O)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A12 compound treatment -0.579 -0.0566 -0.05 -0.936 -0.403 -0.38 -0.925 -0.456565830721003 -0.450961977429159 -0.5109 -0.8596 3012194 CMLD2_000644 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@H]4C=C[C@@H](CC=C)O[C@@H]4CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A13 mock treatment -0.461 0.0614 0.05 -0.456 0.077 0.07 -0.402 0.066434169278997 0.065618761482016 0.1116 0.9927 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A14 mock treatment -0.238 0.284 0.25 -0.224 0.309 0.29 -0.052 0.416434169278997 0.411322888860431 0.5526 0.9783 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A15 compound treatment -0.584 -0.0616 -0.05 -0.75 -0.217 -0.21 -0.358 0.110434169278997 0.109078708923874 -0.0878 -0.3658 3131740 CMLD2_000645 CCc1cc2CN(CC/C(=N/OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A16 compound treatment -0.379 0.143 0.13 -0.015 0.518 0.49 -0.211 0.257434169278997 0.254274442422808 0.505 0.8867 3131741 CMLD2_000646 CCc1cc2CN(CC/C(=N/O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A17 compound treatment -0.962 -0.44 -0.39 -1.373 -0.84 -0.8 -1.059 -0.590565830721003 -0.583317271911181 -1.0231 -0.9618 3012195 CMLD2_000647 C[C@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cc(no5)c6c(C)cc(C)cc6C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A18 compound treatment -1.032 -0.51 -0.45 -0.52 0.013 0.01 -0.833 -0.364565830721003 -0.360091178232547 -0.4608 -0.7988 3131860 CMLD2_000648 CO[C@H](/C=N/O[C@@H](C)c1cc(no1)c2c(C)cc(C)cc2C)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A19 compound treatment -0.339 0.183 0.16 -0.239 0.294 0.28 0.063 0.531434169278997 0.524911387856197 0.5584 0.9055 3012196 CMLD2_000649 C[C@H](ON=C(C)C)c1cc(no1)c2c(C)cc(C)cc2C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A20 compound treatment -0.288 0.234 0.21 -0.104 0.429 0.41 -0.591 -0.122565830721003 -0.121061467302328 0.2858 0.6029 3131861 CMLD2_000650 CO/N=C/[C@@H](C)[C@H](OCc1ccccc1)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A21 compound treatment -0.667 -0.145 -0.13 -0.516 0.017 0.02 -0.509 -0.040565830721003 -0.0400679288879567 -0.0875 -0.6489 3131714 CMLD2_000651 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]5CCCC(=O)[C@H]53)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A22 compound treatment -0.929 -0.407 -0.36 -0.641 -0.108 -0.1 -0.184 0.284434169278997 0.280943046534858 -0.1047 -0.2239 3012197 CMLD2_000652 C[C@@H]1CC[C@@H]2N(C[C@@H](COC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A23 mock treatment -0.333 0.189 0.17 -0.268 0.265 0.25 -0.21 0.258434169278997 0.255262168501032 0.3899 0.984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 A24 mock treatment -0.508 0.0144 0.01 -0.2 0.333 0.32 -0.385 0.083434169278997 0.0824101048118247 0.2381 0.7259 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B01 compound treatment 4.085 4.61 1.68 2.238 2.77 1.67 5.988 6.456434169279 1.94003502605283 3.0501 0.9974 3131862 CMLD2_000653 CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B02 compound treatment -0.73 -0.208 -0.18 -0.789 -0.256 -0.24 -0.714 -0.245565830721003 -0.242551774923886 -0.3868 -0.9922 3011062 CMLD2_000654 C[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](Cc2ccccc2)NC1=O)NS(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B03 compound treatment 0.403 0.925 0.82 0.42 0.953 0.91 0.676 1.144434169279 1.13038747380754 1.6492 0.9906 3131863 CMLD2_000655 CO[C@@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B04 compound treatment -0.971 -0.449 -0.4 -0.69 -0.157 -0.15 -0.845 -0.376565830721003 -0.371943891171236 -0.53 -0.94 3012198 CMLD2_000656 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B05 compound treatment -1.229 -0.707 -0.62 -1.173 -0.64 -0.61 -1.717 -1.248565830721 -1.2332410313826 -1.4246 -0.9429 3131864 CMLD2_000657 C[C@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cc(no4)c5c(C)cc(C)cc5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B06 compound treatment -0.739 -0.217 -0.19 -1.197 -0.664 -0.63 -1.231 -0.762565830721003 -0.753206157365717 -0.9106 -0.9087 3131865 CMLD2_000658 C[C@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cc(no2)c3c(C)cc(C)cc3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B07 compound treatment -0.288 0.234 0.21 -0.321 0.212 0.2 -0.221 0.247434169278997 0.244397181640568 0.3774 0.9963 3012199 CMLD2_000659 C[C@@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B08 compound treatment -0.629 -0.107 -0.09 -0.661 -0.128 -0.12 -0.458 0.010434169278997 0.0103061011014695 -0.1188 -0.7695 3131866 CMLD2_000660 C[C@@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B09 compound treatment -0.636 -0.114 -0.1 -0.317 0.216 0.21 -0.538 -0.069565830721003 -0.068711985156454 0.0212 0.0887 3131867 CMLD2_000661 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)cc2)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B10 compound treatment -0.913 -0.391 -0.35 -0.859 -0.326 -0.31 -0.783 -0.314565830721003 -0.310704874321345 -0.558 -0.9987 3012228 CMLD2_000662 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@@H](C)[C@H](OCc2ccccc2)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B11 compound treatment -0.76 -0.238 -0.21 -0.95 -0.417 -0.4 -0.757 -0.288565830721003 -0.28502399628752 -0.5151 -0.9681 3131868 CMLD2_000663 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B12 compound treatment 0.8 1.32 1.17 0.603 1.14 1.08 0.904 1.372434169279 1.35558901964262 2.0825 0.9955 3130911 CMLD2_000664 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B13 mock treatment -0.453 0.0694 0.06 0.561 1.09 1.04 -0.411 0.057434169278997 0.0567292267779996 0.6699 0.6407 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B14 mock treatment -0.441 0.0814 0.07 -0.298 0.235 0.22 -0.425 0.043434169278997 0.042901061682863 0.1956 0.8182 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B15 compound treatment -1.253 -0.731 -0.65 -0.987 -0.454 -0.43 -1.247 -0.778565830721003 -0.769009774617301 -1.0666 -0.9754 3131869 CMLD2_000665 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCc3nc(CC)c(CC)cc3C2)C=C[C@@H]1Oc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B16 compound treatment -0.616 -0.0936 -0.08 -0.346 0.187 0.18 -0.746 -0.277565830721003 -0.274159009427055 -0.1032 -0.3059 3012230 CMLD2_000666 CCc1cc2CN(CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B17 compound treatment -0.93 -0.408 -0.36 -0.974 -0.441 -0.42 -1.312 -0.843565830721003 -0.833211969701864 -0.9316 -0.9314 3131870 CMLD2_000667 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B18 compound treatment -0.63 -0.108 -0.1 -0.656 -0.123 -0.12 -0.66 -0.191565830721003 -0.189214566699787 -0.2318 -0.9577 3012231 CMLD2_000668 CO[C@H](/C=N/OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B19 compound treatment -0.339 0.183 0.16 -0.652 -0.119 -0.11 -0.425 0.043434169278997 0.042901061682863 0.053 0.2617 3131871 CMLD2_000669 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CON=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B20 compound treatment -0.403 0.119 0.11 -0.299 0.234 0.22 -0.11 0.358434169278997 0.354034776323437 0.3941 0.9133 3012232 CMLD2_000670 CCc1cc2CN(CC/C(=N/OC)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B21 compound treatment -0.269 0.253 0.22 -0.508 0.025 0.02 -0.441 0.027434169278997 0.0270974444312783 0.1588 0.6996 3131872 CMLD2_000671 C[C@@H]1CC[C@@H]2N(C[C@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B22 compound treatment -0.802 -0.28 -0.25 -0.684 -0.151 -0.14 -0.73 -0.261565830721003 -0.25835539217547 -0.3749 -0.9728 3131873 CMLD2_000672 COc1ccc(OC[C@H]2CN3[C@H]([C@H](C)CC[C@H]3C(=O)O2)c4ccc(Br)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B23 mock treatment -0.19 0.332 0.29 -0.15 0.383 0.36 -0.23 0.238434169278997 0.235507646936552 0.5163 0.9846 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 B24 mock treatment -0.132 0.39 0.35 -0.147 0.386 0.37 -0.132 0.336434169278997 0.332304802602508 0.6035 0.9991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C01 compound treatment 2.845 3.37 1.6 3.649 4.18 1.78 0.853 1.321434169279 1.30521498965319 2.7059 0.9921 3012233 CMLD2_000673 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C02 compound treatment 0.646 1.17 1.03 0.163 0.696 0.66 0.622 1.090434169279 1.07705026558344 1.6011 0.9804 3011181 CMLD2_000674 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C03 compound treatment -1.053 -0.531 -0.47 -0.709 -0.176 -0.17 -0.629 -0.160565830721003 -0.158595058274842 -0.4592 -0.8783 3131874 CMLD2_000675 CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)CCC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C04 compound treatment -1.5 -0.978 -0.86 -1.312 -0.779 -0.74 -1.877 -1.408565830721 -1.39127720389845 -1.7307 -0.9625 3131875 CMLD2_000676 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C05 compound treatment -0.963 -0.441 -0.39 -0.776 -0.243 -0.23 -0.519 -0.050565830721003 -0.0499451896701972 -0.3873 -0.8498 3012234 CMLD2_000677 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C06 compound treatment -0.909 -0.387 -0.34 -0.785 -0.252 -0.24 -0.387 0.081434169278997 0.0804346526553766 -0.2894 -0.6806 3131876 CMLD2_000678 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C07 compound treatment -1.284 -0.762 -0.67 -0.315 0.218 0.21 -0.445 0.023434169278997 0.0231465401183821 -0.2554 -0.3623 3131877 CMLD2_000679 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C(\C)/CCN3CCCc4nc(C)c(C)cc34)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C08 compound treatment -0.065 0.457 0.4 -1.093 -0.56 -0.53 -0.113 0.355434169278997 0.351071598088765 0.1282 0.1696 3012270 CMLD2_000680 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)cc2)c6ccc(C)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C09 compound treatment -0.768 -0.246 -0.22 -1.797 -1.26 -1.2 -1.415 -0.946565830721003 -0.934947755758941 -1.3603 -0.8834 3131878 CMLD2_000681 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(OC)cc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C10 compound treatment -1.297 -0.775 -0.68 -1.573 -1.04 -0.99 -1.099 -0.630565830721003 -0.622826315040143 -1.3269 -0.9787 3131879 CMLD2_000682 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C11 mock treatment -0.642 -0.12 -0.11 -0.099 0.434 0.41 -0.3 0.168434169278997 0.166366821460868 0.2738 0.5976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C12 mock treatment -0.44 0.0824 0.07 -0.244 0.289 0.28 0.0 0.468434169278997 0.462684644928082 0.4682 0.8617 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C13 compound treatment -0.286 0.236 0.21 -0.273 0.26 0.25 -0.352 0.116434169278997 0.115005065393218 0.3301 0.9598 3012273 CMLD2_000683 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C14 compound treatment 0.127 0.649 0.57 -0.765 -0.232 -0.22 -0.805 -0.336565830721003 -0.332434848042274 0.012 0.0171 3131994 CMLD2_000684 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OCC[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C15 mock treatment -0.668 -0.146 -0.13 -0.427 0.106 0.1 -0.444 0.024434169278997 0.0241342661966061 -0.002 -0.0123 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C16 mock treatment -0.291 0.231 0.2 -0.389 0.144 0.14 -0.456 0.012434169278997 0.0122815532579176 0.2045 0.8288 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C17 compound treatment -0.426 0.0964 0.09 0.0 0.533 0.51 0.125 0.593434169278997 0.586150404706087 0.6808 0.8726 3131995 CMLD2_000685 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C18 compound treatment -1.0 -0.478 -0.42 -0.843 -0.31 -0.3 -0.435 0.033434169278997 0.0330238009006225 -0.3952 -0.7654 3012274 CMLD2_000686 CO[C@H](/C=N/O[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C19 compound treatment -0.2 0.322 0.29 -0.597 -0.064 -0.06 -0.574 -0.105565830721003 -0.10427012397252 0.0692 0.2236 3012275 CMLD2_000687 CC(=NO[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C20 compound treatment -0.851 -0.329 -0.29 0.406 0.939 0.89 0.0 0.468434169278997 0.462684644928082 0.6159 0.5876 3131996 CMLD2_000688 CO/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C21 compound treatment -0.426 0.0964 0.09 -0.524 0.00905 0.01 -0.073 0.395434169278997 0.390580641217727 0.2797 0.6995 3011349 CMLD2_000689 C[C@@H]1CC[C@@H]2N(C[C@@H](COS(=O)(=O)c3ccc(C)cc3)OC2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C22 compound treatment 0.101 0.623 0.55 -0.635 -0.102 -0.1 -0.532 -0.063565830721003 -0.0627856286871098 0.2259 0.4011 3131997 CMLD2_000690 COc1ccc(OC[C@@H]2CC3[C@H]([C@H](C)CC[C@H]3C(=O)O2)c4ccc(Br)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C23 mock treatment -0.019 0.503 0.45 -0.52 0.013 0.01 -0.191 0.277434169278997 0.274028963987289 0.4224 0.8078 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 C24 mock treatment 0.33 0.852 0.75 -0.267 0.266 0.25 -0.208 0.260434169278997 0.257237620657481 0.73 0.8735 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D01 compound treatment 2.079 2.6 1.52 1.432 1.97 1.55 0.844 1.312434169279 1.29632545494917 2.5244 0.9969 3012277 CMLD2_000691 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)[C@@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D02 compound treatment 0.149 0.671 0.59 0.894 1.43 1.36 0.184 0.652434169278997 0.644426243321306 1.4997 0.9272 3131998 CMLD2_000692 CO[C@@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@H](COC(=O)[C@H](CCSC)NC(=O)C\C=C\[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D03 compound treatment 3.022 3.54 1.61 1.811 2.34 1.61 3.321 3.789434169279 1.79718229781691 2.8989 0.9986 3012278 CMLD2_000693 CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)CCC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D04 compound treatment -0.868 -0.346 -0.31 -1.037 -0.504 -0.48 -0.958 -0.489565830721003 -0.483556938010553 -0.7327 -0.9812 3131999 CMLD2_000694 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)/C)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D05 compound treatment -0.574 -0.0516 -0.05 1.494 2.03 1.56 -0.509 -0.040565830721003 -0.0400679288879567 0.8532 0.5453 3132000 CMLD2_000695 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D06 compound treatment -0.455 0.0674 0.06 -0.707 -0.174 -0.17 0.041 0.509434169278997 0.503181414135268 0.2293 0.43 3012279 CMLD2_000696 CC(=O)OC[C@H]1O[C@H](C/C=N/OC2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D07 compound treatment 0.244 0.766 0.68 -1.0 -0.467 -0.44 -1.118 -0.649565830721003 -0.6415931105264 -0.236 -0.2283 3132001 CMLD2_000697 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23)C=C[C@@H]1Oc4ccc(OC)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D08 compound treatment -0.444 0.0784 0.07 -0.157 0.376 0.36 -0.159 0.309434169278997 0.305636198490459 0.4233 0.8894 3132002 CMLD2_000698 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/c2ccc(cc2)C(=O)N3[C@@H](CC[C@H](C)[C@H]3c4ccc(C)cc4)C(=O)OC)C=C[C@@H]1Oc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D09 compound treatment -1.286 -0.764 -0.68 -1.15 -0.617 -0.59 -1.0 -0.531565830721003 -0.525041433295962 -1.0322 -0.9947 3012280 CMLD2_000699 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)\C=C\CC(=O)OC)C=C[C@@H]1Oc3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D10 compound treatment -0.633 -0.111 -0.1 -0.81 -0.277 -0.26 -0.248 0.220434169278997 0.217728577528519 -0.0831 -0.2334 3132003 CMLD2_000700 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D11 mock treatment -0.122 0.4 0.35 -0.187 0.346 0.33 -0.19 0.278434169278997 0.275016690065513 0.5535 0.9947 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D12 mock treatment 0.023 0.545 0.48 -0.263 0.27 0.26 -0.325 0.143434169278997 0.141673669505267 0.5087 0.901 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D13 compound treatment -0.547 -0.0246 -0.02 -0.187 0.346 0.33 -0.102 0.366434169278997 0.361936584949229 0.3868 0.7892 3012281 CMLD2_000701 CC1(C)O[C@H]2O[C@H]([C@H](O)CO/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O)[C@H](O)[C@H]2O1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D14 compound treatment -1.523 -1.0 -0.88 -1.4 -0.867 -0.83 -1.702 -1.233565830721 -1.21842514020924 -1.691 -0.9847 3132004 CMLD2_000702 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC(C)CN2CCCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D15 mock treatment -0.051 0.471 0.42 -0.725 -0.192 -0.18 -0.012 0.456434169278997 0.450831931989393 0.3954 0.6171 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D16 mock treatment -0.141 0.381 0.34 -0.659 -0.126 -0.12 -0.438 0.030434169278997 0.0300606226659504 0.1428 0.3975 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D17 compound treatment -0.642 -0.12 -0.11 -0.228 0.305 0.29 -0.107 0.361434169278997 0.356997954558109 0.3129 0.6624 3132005 CMLD2_000703 C[C@@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@H](CO)Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D18 compound treatment 0.425 0.947 0.84 0.269 0.802 0.76 0.437 0.905434169278997 0.894320941111989 1.4411 0.998 3012283 CMLD2_000704 CO[C@H](/C=N/O[C@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D19 compound treatment -0.674 -0.152 -0.13 -0.874 -0.341 -0.32 -0.47 -0.00156583072100297 -0.00154661183721899 -0.2658 -0.7564 3132006 CMLD2_000705 C[C@@H](ON=C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D20 compound treatment -0.565 -0.0426 -0.04 -0.352 0.181 0.17 -0.113 0.355434169278997 0.351071598088765 0.2805 0.7139 3012284 CMLD2_000706 CO/N=C/[C@@H](OC)[C@H](C)\C=C\CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D21 compound treatment -0.663 -0.141 -0.12 -0.558 -0.025 -0.02 -0.47 -0.00156583072100297 -0.00154661183721899 -0.0864 -0.6825 3132007 CMLD2_000707 CCCC[C@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D22 compound treatment -0.345 0.177 0.16 0.425 0.958 0.91 -0.333 0.135434169278997 0.133771860879475 0.6947 0.7425 3132008 CMLD2_000708 C[C@H]1CC[C@@H]2N(C[C@@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D23 mock treatment -0.178 0.344 0.3 -0.607 -0.074 -0.07 0.472 0.940434169278997 0.928891353849831 0.6714 0.6851 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 D24 mock treatment 0.328 0.85 0.75 -0.269 0.264 0.25 -0.243 0.225434169278997 0.222667207919639 0.7079 0.8596 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E01 mock treatment -0.128 0.394 0.35 -0.299 0.234 0.22 -0.459 0.00943416927899698 0.00931837502324545 0.3354 0.8102 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E02 mock treatment -0.173 0.349 0.31 -0.132 0.401 0.38 -0.321 0.147434169278997 0.145624573818164 0.483 0.9426 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E03 compound treatment -0.237 0.285 0.25 -0.312 0.221 0.21 -0.074 0.394434169278997 0.389592915139502 0.4922 0.9657 3012286 CMLD2_000709 CO[C@@H]1COC(=O)CCC[C@@H](C)[C@@H](COC(=O)CCC[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E04 compound treatment -0.759 -0.237 -0.21 -0.781 -0.248 -0.24 -0.745 -0.276565830721003 -0.273171283348831 -0.4148 -0.994 3132009 CMLD2_000710 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)/C)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E05 compound treatment -1.293 -0.771 -0.68 -1.508 -0.975 -0.93 -1.229 -0.760565830721003 -0.751230705209268 -1.3633 -0.9914 3012287 CMLD2_000711 C[C@@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cn(nn4)[C@H](CO)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E06 compound treatment -0.731 -0.209 -0.18 -0.736 -0.203 -0.19 -0.848 -0.379565830721003 -0.374907069405908 -0.4345 -0.9439 3132010 CMLD2_000712 C[C@@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cn(nn2)[C@H](CO)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E07 compound treatment -0.603 -0.0806 -0.07 -0.766 -0.233 -0.22 -0.622 -0.153565830721003 -0.151680975727274 -0.2568 -0.9235 3012333 CMLD2_000713 CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E08 compound treatment -0.083 0.439 0.39 -0.333 0.2 0.19 0.136 0.604434169278997 0.597015391566552 0.679 0.9209 3132011 CMLD2_000714 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OCC[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)cc2)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E09 mock treatment -0.406 0.116 0.1 -0.281 0.252 0.24 -0.415 0.053434169278997 0.0527783224651034 0.2285 0.8575 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E10 mock treatment -0.849 -0.327 -0.29 -0.368 0.165 0.16 -0.19 0.278434169278997 0.275016690065513 0.0829 0.1934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E11 compound treatment -2.845 -2.32 -2.05 -2.182 -1.65 -1.57 -3.051 -2.582565830721 -2.55086761973348 -3.5652 -0.9816 3012334 CMLD2_000715 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)c4cc(no4)c5c(C)cc(C)cc5C)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E12 compound treatment -0.662 -0.14 -0.12 -0.675 -0.142 -0.14 -0.754 -0.285565830721003 -0.282060818052848 -0.3122 -0.9283 3132012 CMLD2_000716 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@H](C)c4cn(nn4)[C@@H]5COC[C@H]5O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E13 compound treatment -0.847 -0.325 -0.29 -0.588 -0.055 -0.05 -0.547 -0.078565830721003 -0.0776015198604705 -0.2407 -0.7975 3012337 CMLD2_000717 OC[C@H]1O[C@H](CC=C)C=C[C@@H]1O/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E14 compound treatment -0.493 0.0294 0.03 -0.5 0.033 0.03 -0.527 -0.058565830721003 -0.0578469982959896 -2.0E-4 -0.0027 3132130 CMLD2_000718 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC(C)CN2CCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E15 compound treatment -0.288 0.234 0.21 -0.381 0.152 0.14 -0.509 -0.040565830721003 -0.0400679288879567 0.1802 0.7037 3132131 CMLD2_000719 CCc1cc2CN(CC/C(=N/OCC[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E16 compound treatment -0.971 -0.449 -0.4 -0.899 -0.366 -0.35 -0.979 -0.510565830721003 -0.504299185653257 -0.7214 -0.988 3132132 CMLD2_000720 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E17 mock treatment -0.292 0.23 0.2 -0.414 0.119 0.11 -0.408 0.060434169278997 0.0596924050126717 0.2176 0.9039 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E18 mock treatment -0.488 0.0344 0.03 -0.5 0.033 0.03 -0.422 0.046434169278997 0.0458642399175351 0.0622 0.9814 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E19 compound treatment -0.726 -0.204 -0.18 -0.705 -0.172 -0.16 -0.372 0.096434169278997 0.0952505438287373 -0.1435 -0.5491 3012338 CMLD2_000721 CO/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E20 mock treatment -0.433 0.0894 0.08 -0.286 0.247 0.24 -0.261 0.207434169278997 0.204888138511606 0.2998 0.9314 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E21 compound treatment -0.841 -0.319 -0.28 -0.731 -0.198 -0.19 -0.611 -0.142565830721003 -0.140815988866809 -0.3528 -0.9612 3131584 CMLD2_000722 C[C@@H]1CC[C@@H]2N(C[C@@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E22 compound treatment -1.364 -0.842 -0.74 -0.937 -0.404 -0.38 -1.095 -0.626565830721003 -0.618875410727247 -1.009 -0.9689 3012339 CMLD2_000723 COC(=O)C/C=C/[C@@H](C)[C@H](OCc1cccc(c1)c2ccccc2)C3CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E23 mock treatment -0.292 0.23 0.2 -0.338 0.195 0.19 -0.241 0.227434169278997 0.224642660076087 0.3546 0.997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 E24 mock treatment -0.118 0.404 0.36 -0.447 0.086 0.08 -0.328 0.140434169278997 0.138710491270595 0.3339 0.8512 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F01 mock treatment -0.429 0.0934 0.08 -0.53 0.00305 0.0 -0.486 -0.017565830721003 -0.0173502290888037 0.0394 0.4659 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F02 mock treatment 0.034 0.556 0.49 0.258 0.791 0.75 0.057 0.525434169278997 0.518985031386852 1.0188 0.9806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F03 compound treatment -0.282 0.24 0.21 -0.167 0.366 0.35 -0.518 -0.049565830721003 -0.0489574635919732 0.2958 0.7191 3132133 CMLD2_000724 C[C@H]1/C=C/CC(=O)OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)/C=C/CC(=O)OC[C@@H]1NS(=O)(=O)c3ccc(C)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F04 compound treatment -0.789 -0.267 -0.24 -0.61 -0.077 -0.07 -1.039 -0.570565830721003 -0.5635627503467 -0.5038 -0.8188 3012198 CMLD2_000725 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F05 compound treatment -1.25 -0.728 -0.64 -0.779 -0.246 -0.23 -0.957 -0.488565830721003 -0.482569211932328 -0.7853 -0.9375 3132134 CMLD2_000726 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C/C[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F06 compound treatment 2.577 3.1 1.57 2.072 2.61 1.65 1.75 2.218434169279 1.61637290504733 2.7934 0.9998 3012341 CMLD2_000727 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCCc4nc(C)c(C)cc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F07 compound treatment 0.439 0.961 0.85 0.071 0.604 0.58 0.466 0.934434169278997 0.922964997380486 1.3559 0.9822 3132135 CMLD2_000728 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCc4nc(C)c(C)cc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F08 compound treatment -1.036 -0.514 -0.45 -0.564 -0.031 -0.03 -0.623 -0.154565830721003 -0.152668701805498 -0.3673 -0.7653 3132136 CMLD2_000729 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)cc2)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F09 mock treatment -0.479 0.0434 0.04 -0.486 0.047 0.04 -0.473 -0.00456583072100297 -0.00450979007189113 0.0454 0.7677 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F10 mock treatment -0.633 -0.111 -0.1 -0.471 0.062 0.06 -0.361 0.107434169278997 0.106115530689202 0.039 0.2499 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F11 compound treatment -0.902 -0.38 -0.34 -0.983 -0.45 -0.43 -0.041 0.427434169278997 0.422187875720896 -0.1975 -0.2866 3012342 CMLD2_000730 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](C)[C@H](OCc4ccccc4)C(C)C)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F12 compound treatment -0.493 0.0294 0.03 -0.644 -0.111 -0.11 -0.492 -0.023565830721003 -0.023276585558148 -0.0594 -0.5339 3132137 CMLD2_000731 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F13 compound treatment -0.145 0.377 0.33 -0.573 -0.04 -0.04 -0.351 0.117434169278997 0.115992791471442 0.2377 0.6688 3010880 CMLD2_000732 O[C@@H](COCc1ccco1)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F14 compound treatment -0.657 -0.135 -0.12 -0.99 -0.457 -0.44 -0.987 -0.518565830721003 -0.51220099427905 -0.6157 -0.902 3012343 CMLD2_000733 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F15 compound treatment 0.413 0.935 0.83 0.453 0.986 0.94 0.0 0.468434169278997 0.462684644928082 1.287 0.9645 3132138 CMLD2_000734 CCc1cc2CN(CC/C(=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F16 compound treatment -1.27 -0.748 -0.66 -1.071 -0.538 -0.51 -1.253 -0.784565830721003 -0.774936131086645 -1.1249 -0.9866 3132139 CMLD2_000735 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5)C=C[C@@H]1Oc6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F17 mock treatment -0.242 0.28 0.25 -0.2 0.333 0.32 0.083 0.551434169278997 0.544665909420677 0.6408 0.946 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F18 mock treatment -0.163 0.359 0.32 -0.183 0.35 0.33 -0.138 0.330434169278997 0.326378446133164 0.5644 0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F19 compound treatment -0.9 -0.378 -0.33 -0.833 -0.3 -0.29 -0.841 -0.372565830721003 -0.367992986858339 -0.5702 -0.9948 3012344 CMLD2_000736 CO/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F20 mock treatment -0.291 0.231 0.2 0.0 0.533 0.51 -0.207 0.261434169278997 0.258225346735705 0.5604 0.9258 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F21 compound treatment -1.221 -0.699 -0.62 -1.465 -0.932 -0.89 -1.143 -0.674565830721003 -0.666286262482001 -1.2538 -0.9871 3012345 CMLD2_000737 C[C@@H]1CC[C@@H]2N(C[C@@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F22 compound treatment -0.164 0.358 0.32 -0.015 0.518 0.49 -0.091 0.377434169278997 0.372801571809694 0.6831 0.983 3132140 CMLD2_000738 CO[C@@H]([C@H](C)/C=C/CC(=O)OCCCc1ccccc1)C2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F23 mock treatment -0.253 0.269 0.24 -0.352 0.181 0.17 0.028 0.496434169278997 0.490340975118355 0.5202 0.9098 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 F24 mock treatment -0.281 0.241 0.21 -0.379 0.154 0.15 -0.275 0.193434169278997 0.19105997341647 0.3183 0.9888 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G01 compound treatment 1.829 2.35 1.49 3.252 3.79 1.76 1.55 2.018434169279 1.58034778185802 2.7892 0.9977 3132141 CMLD2_000739 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G02 compound treatment -0.525 -0.00255 0.0 -0.363 0.17 0.16 -0.304 0.164434169278997 0.162415917147972 0.186 0.8108 3012346 CMLD2_000740 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G03 mock treatment 0.929 1.45 1.28 -0.315 0.218 0.21 -0.382 0.086434169278997 0.0853732830464969 0.9101 0.6986 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G04 mock treatment -0.446 0.0764 0.07 -0.438 0.095 0.09 -0.512 -0.043565830721003 -0.0430311071226289 0.0665 0.5496 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G05 compound treatment -0.771 -0.249 -0.22 -0.231 0.302 0.29 -0.414 0.054434169278997 0.0537660485433275 0.0703 0.1921 3132142 CMLD2_000741 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)C=C[C@@H]1Oc3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G06 compound treatment 1.948 2.47 1.51 1.402 1.94 1.55 0.392 0.860434169278997 0.849873267591907 2.2545 0.9711 3012347 CMLD2_000742 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCCc4nc(C)c(C)cc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G07 mock treatment 0.811 1.33 1.18 0.222 0.755 0.72 -0.17 0.298434169278997 0.294771211629994 1.2661 0.8966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G08 mock treatment -0.253 0.269 0.24 -0.466 0.067 0.06 0.202 0.670434169278997 0.662205312729339 0.5567 0.7879 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G09 compound treatment -0.533 -0.0106 -0.01 -0.559 -0.026 -0.02 0.165 0.633434169278997 0.625659447835049 0.3416 0.5454 3132143 CMLD2_000743 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OCC[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G10 compound treatment -0.478 0.0444 0.04 -0.97 -0.437 -0.42 -0.846 -0.377565830721003 -0.37293161724946 -0.433 -0.7728 3132144 CMLD2_000744 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C\3/[C@H](O)[C@H](Oc4ccc(OC)cc34)c5cccc(OC)c5)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G11 compound treatment -0.022 0.5 0.44 -0.718 -0.185 -0.18 -0.424 0.044434169278997 0.043888787761087 0.1791 0.3744 3132145 CMLD2_000745 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G12 compound treatment -0.216 0.306 0.27 -0.616 -0.083 -0.08 -0.681 -0.212565830721003 -0.209956814342492 -0.0104 -0.0296 3012401 CMLD2_000746 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H](C)c4cc(no4)c5c(C)cc(C)cc5C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G13 compound treatment -0.149 0.373 0.33 -0.693 -0.16 -0.15 -0.531 -0.062565830721003 -0.0617979026088857 0.067 0.1816 3132146 CMLD2_000747 C[C@@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cn(nn6)[C@@H]7COC[C@H]7O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G14 compound treatment -1.321 -0.799 -0.71 -1.101 -0.568 -0.54 -1.075 -0.606565830721003 -0.599120889162766 -1.0659 -0.9939 3012403 CMLD2_000748 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G15 compound treatment -0.627 -0.105 -0.09 0.101 0.634 0.6 0.154 0.622434169278997 0.614794460974584 0.6503 0.7502 3132147 CMLD2_000749 CCc1cc2CN(CC/C(=N/OC(C)CN3CCCc4nc(C)c(C)cc34)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G16 compound treatment -1.254 -0.732 -0.65 -1.205 -0.672 -0.64 -1.387 -0.918565830721003 -0.907291425568667 -1.2668 -0.9858 3012404 CMLD2_000750 CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G17 compound treatment -0.119 0.403 0.36 -0.443 0.09 0.09 -0.567 -0.0985658307210029 -0.0973560414249512 0.1993 0.525 3132148 CMLD2_000751 CO[C@H](/C=N/OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G18 compound treatment 0.234 0.756 0.67 0.026 0.559 0.53 -0.016 0.452434169278997 0.446881027676497 0.9516 0.9865 3132267 CMLD2_000752 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CON=C(C)C)c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G19 mock treatment 0.04 0.562 0.5 0.151 0.684 0.65 0.163 0.631434169278997 0.623683995678601 1.0234 0.9936 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G20 mock treatment 0.971 1.49 1.32 -0.49 0.043 0.04 -0.105 0.363434169278997 0.358973406714557 0.9932 0.7256 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G21 compound treatment -0.709 -0.187 -0.16 -0.758 -0.225 -0.21 -0.748 -0.279565830721003 -0.276134461583503 -0.3784 -0.979 3012405 CMLD2_000753 C[C@@H]1CC[C@@H]2N(C[C@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G22 compound treatment -0.89 -0.368 -0.32 -1.06 -0.527 -0.5 -0.93 -0.461565830721003 -0.455900607820279 -0.7407 -0.985 3132268 CMLD2_000754 CO[C@H]([C@@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)CO)C2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G23 mock treatment -0.029 0.493 0.44 -0.16 0.373 0.36 -0.348 0.120434169278997 0.118955969706114 0.5257 0.9141 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 G24 mock treatment -0.176 0.346 0.31 -0.451 0.082 0.08 -0.342 0.126434169278997 0.124882326175459 0.2941 0.8652 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H01 compound treatment 0.45 0.972 0.86 0.365 0.898 0.86 0.443 0.911434169278997 0.900247297581333 1.5101 0.9997 3012408 CMLD2_000755 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H02 compound treatment 1.585 2.11 1.46 2.576 3.11 1.7 1.72 2.188434169279 1.61125686808709 2.7546 0.998 3132269 CMLD2_000756 C[C@H]/1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C\C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H03 mock treatment -0.185 0.337 0.3 -0.122 0.411 0.39 -0.287 0.181434169278997 0.179207260477781 0.5018 0.9578 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H04 mock treatment -0.386 0.136 0.12 1.635 2.17 1.59 -0.091 0.377434169278997 0.372801571809694 1.201 0.7348 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H05 compound treatment -0.291 0.231 0.2 -0.41 0.123 0.12 -0.116 0.352434169278997 0.348108419854093 0.3868 0.9199 3132270 CMLD2_000757 CC(=O)OC[C@H]1O[C@H](CCO/N=C/C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H06 compound treatment 1.662 2.18 1.47 0.377 0.91 0.87 0.01 0.478434169278997 0.472561905710322 1.6218 0.9161 3012411 CMLD2_000758 C/C(=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)/CCN3CCCCc4nc(C)c(C)cc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H07 mock treatment -1.0 -0.478 -0.42 -1.094 -0.561 -0.53 -1.078 -0.609565830721003 -0.602084067397438 -0.8999 -0.99 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H08 compound treatment -0.672 -0.15 -0.13 -0.89 -0.357 -0.34 -0.072 0.396434169278997 0.391568367295951 -0.0466 -0.0871 3132271 CMLD2_000759 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)cc2)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H09 compound treatment 0.612 1.13 1.0 -0.483 0.05 0.05 -0.547 -0.078565830721003 -0.0776015198604705 0.5618 0.5578 3132272 CMLD2_000760 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC(C)CN2CCCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H10 compound treatment -0.741 -0.219 -0.19 -0.197 0.336 0.32 -0.659 -0.190565830721003 -0.188226840621563 -0.0354 -0.0846 3012412 CMLD2_000761 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C\2/[C@H](O)[C@H](Oc3ccc(OC)cc23)c4cccc(OC)c4)C=C[C@@H]1Oc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H11 compound treatment -1.186 -0.664 -0.59 -1.0 -0.467 -0.44 -0.756 -0.287565830721003 -0.284036270209296 -0.7595 -0.9625 3132273 CMLD2_000762 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H12 compound treatment -0.775 -0.253 -0.22 -0.571 -0.038 -0.04 -1.583 -1.114565830721 -1.10088573690058 -0.7854 -0.6988 3132274 CMLD2_000763 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](C)[C@H](OCc4ccccc4)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H13 compound treatment 0.083 0.605 0.54 0.516 1.05 1.0 -0.169 0.299434169278997 0.295758937708218 1.0568 0.902 3012414 CMLD2_000764 C[C@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cn(nn6)[C@H](CO)Cc7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H14 compound treatment -0.459 0.0634 0.06 -0.149 0.384 0.37 -0.357 0.111434169278997 0.110066435002098 0.3072 0.7954 3132275 CMLD2_000765 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC[C@@H](O)COCc2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H15 compound treatment -0.442 0.0804 0.07 -0.291 0.242 0.23 -0.193 0.275434169278997 0.272053511830841 0.3313 0.9109 3012415 CMLD2_000766 CCc1cc2CN(CC/C(=N/OC[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H16 compound treatment -0.757 -0.235 -0.21 -0.548 -0.015 -0.01 -0.427 0.041434169278997 0.0409256095264149 -0.1043 -0.4924 3132276 CMLD2_000767 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H17 compound treatment -0.176 0.346 0.31 -0.447 0.086 0.08 -0.488 -0.019565830721003 -0.0193256812452518 0.213 0.6706 3132277 CMLD2_000768 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](OC)[C@H](C)\C=C\CC(=O)OC)C=C[C@@H]1Oc2ccc(OC)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H18 compound treatment -0.349 0.173 0.15 -0.087 0.446 0.42 -0.451 0.017434169278997 0.0172201836490378 0.3438 0.7605 3012416 CMLD2_000769 CCCNC(=O)OC[C@H]1O[C@H](CCON=C(C)C)C=C[C@@H]1Oc2ccc(OC)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H19 mock treatment -0.717 -0.195 -0.17 -0.541 -0.00795 -0.01 -0.713 -0.244565830721003 -0.241564048845662 -0.2431 -0.8197 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H20 mock treatment 0.372 0.894 0.79 -0.43 0.103 0.1 -0.088 0.380434169278997 0.375764750044366 0.7302 0.8288 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H21 compound treatment -0.93 -0.408 -0.36 -0.919 -0.386 -0.37 -0.824 -0.355565830721003 -0.351201643528531 -0.6231 -0.9998 3132278 CMLD2_000770 C[C@@H]1CC[C@@H]2N(C[C@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H22 compound treatment -0.621 -0.0986 -0.09 -0.074 0.459 0.44 -0.702 -0.233565830721003 -0.230699061985197 0.069 0.1374 3012418 CMLD2_000771 CO[C@H]1[C@H](C)/C(=C\CCOCC#CC)/c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H23 mock treatment -0.548 -0.0256 -0.02 -0.364 0.169 0.16 -0.567 -0.0985658307210029 -0.0973560414249512 0.0237 0.1252 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 H24 mock treatment -0.344 0.178 0.16 -0.171 0.362 0.34 -0.467 0.00143416927899698 0.00141656639745309 0.291 0.7673 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I01 compound treatment -0.4 0.122 0.11 -0.329 0.204 0.19 -0.412 0.056434169278997 0.0557415006997756 0.2069 0.9021 3132279 CMLD2_000772 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I02 compound treatment 2.124 2.65 1.53 2.877 3.41 1.73 3.938 4.406434169279 1.84113308165866 2.9438 0.9971 3012419 CMLD2_000773 C[C@@H]/1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C\C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I03 compound treatment -1.714 -1.19 -1.05 -1.277 -0.744 -0.71 -1.255 -0.786565830721003 -0.776911583243094 -1.4659 -0.9848 3132280 CMLD2_000774 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C(\C)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)c6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I04 compound treatment -1.362 -0.84 -0.74 -1.09 -0.557 -0.53 -1.163 -0.694565830721003 -0.686040784046482 -1.131 -0.9907 3132281 CMLD2_000775 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4)C=C[C@@H]1Oc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I05 mock treatment -0.652 -0.13 -0.11 -0.746 -0.213 -0.2 -0.492 -0.023565830721003 -0.023276585558148 -0.1967 -0.8401 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I06 mock treatment -0.576 -0.0536 -0.05 -0.317 0.216 0.21 -0.429 0.039434169278997 0.0389501573699668 0.114 0.5307 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I07 compound treatment -0.328 0.194 0.17 0.066 0.599 0.57 0.477 0.945434169278997 0.933829984240951 0.9679 0.8737 3012420 CMLD2_000776 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I08 compound treatment -0.898 -0.376 -0.33 -1.0 -0.467 -0.44 -0.447 0.021434169278997 0.021171087961934 -0.4363 -0.7854 3132282 CMLD2_000777 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)cc2)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I09 compound treatment -0.415 0.107 0.09 -0.603 -0.07 -0.07 -0.509 -0.040565830721003 -0.0400679288879567 -0.0068 -0.0551 3012421 CMLD2_000778 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC(C)CN2CCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I10 compound treatment -1.037 -0.515 -0.45 -0.821 -0.288 -0.27 -1.023 -0.554565830721003 -0.547759133095115 -0.7373 -0.9662 3132283 CMLD2_000779 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OCC[C@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C4)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I11 compound treatment -0.641 -0.119 -0.1 -0.292 0.241 0.23 -0.719 -0.250565830721003 -0.247490405315006 -0.0708 -0.2003 3012422 CMLD2_000780 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@H]4O[C@@H](C=C[C@@H]4Oc5ccc(OC)cc5)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I12 compound treatment -0.5 0.0224 0.02 -0.616 -0.083 -0.08 -0.836 -0.367565830721003 -0.363054356467219 -0.2438 -0.6552 3012473 CMLD2_000781 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I13 compound treatment -0.287 0.235 0.21 -0.845 -0.312 -0.3 -0.671 -0.202565830721003 -0.200079553560252 -0.1669 -0.4028 3132284 CMLD2_000782 C[C@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cc(no6)c7c(C)cc(C)cc7C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I14 compound treatment -0.559 -0.0366 -0.03 -0.547 -0.014 -0.01 -0.59 -0.121565830721003 -0.120073741224104 -0.0957 -0.7649 3012475 CMLD2_000783 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H](C)c2cn(nn2)[C@@H]3COC[C@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I15 compound treatment 0.311 0.833 0.74 0.183 0.716 0.68 0.426 0.894434169278997 0.883455954251524 1.3293 0.9939 3132285 CMLD2_000784 CCc1cc2CN(CC/C(=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I16 compound treatment -0.736 -0.214 -0.19 -0.463 0.07 0.07 -0.642 -0.173565830721003 -0.171435497291755 -0.1695 -0.6428 3012476 CMLD2_000785 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I17 compound treatment 0.0 0.522 0.46 0.086 0.619 0.59 0.197 0.665434169278997 0.657266682338218 0.9866 0.99 3132408 CMLD2_000786 CO[C@H](/C=N/OCC[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I18 compound treatment -0.69 -0.168 -0.15 -0.619 -0.086 -0.08 -0.65 -0.181565830721003 -0.179337305917547 -0.2363 -0.9584 3012477 CMLD2_000787 CC(=NOCC[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I19 compound treatment -0.446 0.0764 0.07 -0.133 0.4 0.38 0.067 0.535434169278997 0.528862292169093 0.5644 0.8612 3132409 CMLD2_000788 CO/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I20 mock treatment -0.1 0.422 0.37 -0.279 0.254 0.24 -0.237 0.231434169278997 0.228593564388983 0.4873 0.9741 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I21 mock treatment -0.444 0.0784 0.07 -0.239 0.294 0.28 -0.327 0.141434169278997 0.139698217348819 0.2824 0.8809 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I22 mock treatment -0.439 0.0834 0.07 -0.327 0.206 0.2 -0.277 0.191434169278997 0.189084521260021 0.2651 0.9388 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I23 mock treatment -0.515 0.00745 0.01 -0.237 0.296 0.28 -0.475 -0.00656583072100297 -0.00648524222833922 0.1629 0.5772 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 I24 mock treatment -0.114 0.408 0.36 -0.486 0.047 0.04 -0.5 -0.031565830721003 -0.0311783941839403 0.2164 0.5924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J01 compound treatment 1.377 1.9 1.42 0.755 1.29 1.23 1.391 1.859434169279 1.54808157370908 2.4241 0.9956 3132410 CMLD2_000789 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)CCC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J02 compound treatment -0.459 0.0634 0.06 -0.267 0.266 0.25 -0.152 0.316434169278997 0.312550281038027 0.3592 0.884 3012478 CMLD2_000790 CO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J03 compound treatment -1.462 -0.94 -0.83 -1.062 -0.529 -0.5 -1.325 -0.856565830721003 -0.846052408718777 -1.259 -0.9772 3132411 CMLD2_000791 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(OC)cc3)c4ccccc4)C=C[C@@H]1Oc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J04 compound treatment -1.38 -0.858 -0.76 -0.952 -0.419 -0.4 -1.211 -0.742565830721003 -0.733451635801236 -1.0916 -0.9679 3132412 CMLD2_000792 CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J05 mock treatment -0.259 0.263 0.23 -0.178 0.355 0.34 -0.431 0.037434169278997 0.0369747052135187 0.3511 0.8515 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J06 mock treatment -0.388 0.134 0.12 -0.459 0.074 0.07 -0.5 -0.031565830721003 -0.0311783941839403 0.0914 0.6447 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J07 compound treatment 7.05 7.57 1.78 6.187 6.72 1.9 3.233 3.701434169279 1.79006964802207 3.1563 0.9996 3012479 CMLD2_000793 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J08 compound treatment -0.627 -0.105 -0.09 -1.192 -0.659 -0.63 -0.647 -0.178565830721003 -0.176374127682875 -0.5176 -0.786 3012480 CMLD2_000794 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@@H](O)COCc3ccco3)cc2)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J09 compound treatment -0.831 -0.309 -0.27 -0.552 -0.019 -0.02 0.23 0.698434169278997 0.689861642919612 0.2304 0.3104 3132413 CMLD2_000795 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J10 compound treatment -0.583 -0.0606 -0.05 -1.056 -0.523 -0.5 0.028 0.496434169278997 0.490340975118355 -0.0354 -0.0506 3132414 CMLD2_000796 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC(C)CN4CCCCc5nc(C)c(C)cc45)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J11 compound treatment -0.674 -0.152 -0.13 -0.811 -0.278 -0.26 -0.611 -0.142565830721003 -0.140815988866809 -0.3115 -0.9484 3132415 CMLD2_000797 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(CC)C4=O)C=C[C@@H]1Oc5ccc(OC)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J12 compound treatment -0.467 0.0554 0.05 -0.541 -0.00795 -0.01 -0.333 0.135434169278997 0.133771860879475 0.1012 0.709 3012481 CMLD2_000798 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J13 compound treatment -1.382 -0.86 -0.76 -0.856 -0.323 -0.31 -1.432 -0.963565830721003 -0.951739099088749 -1.1659 -0.9281 3132416 CMLD2_000799 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J14 compound treatment -1.051 -0.529 -0.47 -1.076 -0.543 -0.52 -1.34 -0.871565830721003 -0.860868299892137 -1.0654 -0.9619 3012482 CMLD2_000800 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J15 compound treatment 4.767 5.29 1.71 4.398 4.93 1.83 4.898 5.366434169279 1.89427661893662 3.1336 0.9991 3132417 CMLD2_000801 CCc1cc2CN(CC/C(=N/OC[C@@H](O)COCc3ccco3)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J16 compound treatment -0.648 -0.126 -0.11 -0.625 -0.092 -0.09 -0.644 -0.175565830721003 -0.173410949448203 -0.2148 -0.9599 3012484 CMLD2_000802 C/C(=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J17 compound treatment -0.508 0.0144 0.01 -0.321 0.212 0.2 -0.245 0.223434169278997 0.220691755763191 0.2514 0.8396 3132418 CMLD2_000803 CO[C@H](/C=N/OC(C)CN1CCCCc2nc(C)c(C)cc12)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J18 compound treatment -0.981 -0.459 -0.41 -0.652 -0.119 -0.11 -0.631 -0.162565830721003 -0.16057051043129 -0.3922 -0.8705 3012486 CMLD2_000804 CC(CN1CCCCc2nc(C)c(C)cc12)ON=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J19 compound treatment 0.122 0.644 0.57 0.303 0.836 0.8 -0.51 -0.041565830721003 -0.0410556549661808 0.7651 0.7806 3132419 CMLD2_000805 CO/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J20 mock treatment -0.601 -0.0786 -0.07 -0.437 0.096 0.09 -0.138 0.330434169278997 0.326378446133164 0.2012 0.5814 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J21 mock treatment -0.59 -0.0676 -0.06 -0.522 0.011 0.01 -0.407 0.061434169278997 0.0606801310908958 0.0066 0.0773 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J22 mock treatment -0.821 -0.299 -0.26 -0.409 0.124 0.12 -0.443 0.025434169278997 0.0251219922748302 -0.0697 -0.24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J23 mock treatment -0.267 0.255 0.23 -0.362 0.171 0.16 -0.308 0.160434169278997 0.158465012835076 0.316 0.9861 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 J24 mock treatment -0.164 0.358 0.32 -0.37 0.163 0.16 -0.107 0.361434169278997 0.356997954558109 0.4788 0.9537 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K01 compound treatment 0.208 0.73 0.65 1.187 1.72 1.5 1.343 1.811434169279 1.5376089448412 2.129 0.948 3132420 CMLD2_000806 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K02 compound treatment -0.975 -0.453 -0.4 -0.573 -0.04 -0.04 -0.513 -0.044565830721003 -0.0440188332008529 -0.2784 -0.6885 3012487 CMLD2_000807 C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](Cc3ccccc3)NC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K03 compound treatment -1.338 -0.816 -0.72 -1.165 -0.632 -0.6 -1.343 -0.874565830721003 -0.863831478126809 -1.2626 -0.9894 3132421 CMLD2_000808 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OCC[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)/C)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K04 compound treatment -0.836 -0.314 -0.28 -1.151 -0.618 -0.59 -1.46 -0.991565830721003 -0.979395429279023 -1.0654 -0.9061 3132422 CMLD2_000809 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(C)cc4)C#Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K05 compound treatment -0.311 0.211 0.19 0.429 0.962 0.92 0.444 0.912434169278997 0.901235023659557 1.1574 0.8911 3012488 CMLD2_000810 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C/C[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K06 compound treatment 1.873 2.4 1.5 1.539 2.07 1.57 0.07 0.538434169278997 0.531825470403765 2.0793 0.9302 3132423 CMLD2_000811 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K07 mock treatment 0.206 0.728 0.64 -0.177 0.356 0.34 -0.354 0.114434169278997 0.11302961323677 0.6329 0.8592 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K08 mock treatment -0.5 0.0224 0.02 0.25 0.783 0.75 0.86 1.328434169279 1.31212907220076 1.1997 0.7948 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K09 compound treatment -0.165 0.357 0.32 -0.375 0.158 0.15 -0.115 0.353434169278997 0.349096145932317 0.4709 0.9526 3132424 CMLD2_000812 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K10 compound treatment -0.443 0.0794 0.07 -0.515 0.018 0.02 -0.465 0.00343416927899698 0.00339201855390118 0.0524 0.7244 3011824 CMLD2_000813 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC(C)CN4CCCc5nc(C)c(C)cc45)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K11 compound treatment -0.523 -5.55E-4 0.0 -0.575 -0.042 -0.04 -0.574 -0.105565830721003 -0.10427012397252 -0.0836 -0.7483 3132425 CMLD2_000814 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC[C@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K12 compound treatment -0.312 0.21 0.19 -0.582 -0.049 -0.05 -0.581 -0.112565830721003 -0.111184206520088 0.0163 0.0735 3132426 CMLD2_000815 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O)c8ccccc8)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K13 compound treatment -0.172 0.35 0.31 -0.229 0.304 0.29 -0.243 0.225434169278997 0.222667207919639 0.4747 0.9909 3011825 CMLD2_000816 CC(=O)OC[C@H]1O[C@@H](O/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K14 compound treatment -0.716 -0.194 -0.17 -0.8 -0.267 -0.25 -0.74 -0.271565830721003 -0.268232652957711 -0.4005 -0.9832 3132547 CMLD2_000817 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H](C)c2cc(no2)c3c(C)cc(C)cc3C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K15 mock treatment -0.543 -0.0206 -0.02 -0.262 0.271 0.26 -0.338 0.130434169278997 0.128833230488355 0.213 0.7366 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K16 mock treatment -0.409 0.113 0.1 -0.484 0.049 0.05 -0.475 -0.00656583072100297 -0.00648524222833922 0.0811 0.7321 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K17 compound treatment -0.287 0.235 0.21 -0.196 0.337 0.32 -0.368 0.100434169278997 0.0992014481416335 0.3628 0.9179 3011826 CMLD2_000818 CO[C@H](/C=N/OC(C)CN1CCCc2nc(C)c(C)cc12)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K18 compound treatment 0.471 0.993 0.88 0.25 0.783 0.75 -0.056 0.412434169278997 0.407371984547535 1.173 0.9597 3132548 CMLD2_000819 CC(CN1CCCc2nc(C)c(C)cc12)ON=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K19 compound treatment 0.318 0.84 0.74 0.016 0.549 0.52 -0.124 0.344434169278997 0.3402066112283 0.9274 0.9558 3011827 CMLD2_000820 CO/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K20 compound treatment -0.571 -0.0486 -0.04 -0.5 0.033 0.03 0.211 0.679434169278997 0.671094847433355 0.3808 0.5657 3131977 CMLD2_000821 COC(=O)C1=C2N(Cc3ccccc3)C(=C([C@H](N2C(=O)[C@@](O)(C1)C(=O)OC)c4ccccc4)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K21 compound treatment 0.288 0.81 0.72 -0.797 -0.264 -0.25 -0.6 -0.131565830721003 -0.129951002006345 0.1935 0.2511 3132549 CMLD2_000822 C[C@@H]1CC[C@@H]2N(C[C@H](Cc3ccccc3)OC2=O)[C@H]1c4ccc(Br)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K22 compound treatment 0.04 0.562 0.5 -0.224 0.309 0.29 -0.178 0.290434169278997 0.286869403004202 0.6227 0.9652 3132550 CMLD2_000823 CCO[C@@H]([C@H](C)[C@@H](OC)[C@H](C)/C=C/CC(=O)OC)c1cc(OC)cc([N+](=O)[O-])c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K23 mock treatment -0.021 0.501 0.44 -0.11 0.423 0.4 -0.191 0.277434169278997 0.274028963987289 0.6468 0.9818 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 K24 mock treatment -0.221 0.301 0.27 -0.418 0.115 0.11 -0.198 0.270434169278997 0.267114881439721 0.3714 0.9451 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L01 compound treatment 0.195 0.717 0.63 0.471 1.0 0.96 0.482 0.950434169278997 0.938768614632071 1.4604 0.985 3011828 CMLD2_000824 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L02 compound treatment -0.247 0.275 0.24 0.075 0.608 0.58 0.113 0.581434169278997 0.574297691767399 0.8066 0.9475 3132551 CMLD2_000825 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](COCc3ccccc3)NC(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L03 compound treatment -1.226 -0.704 -0.62 -1.375 -0.842 -0.8 -1.493 -1.024565830721 -1.01199038986042 -1.4065 -0.9813 3011829 CMLD2_000826 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L04 compound treatment -0.063 0.459 0.41 -0.125 0.408 0.39 -0.532 -0.063565830721003 -0.0627856286871098 0.4227 0.7472 3132552 CMLD2_000827 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(C)cc4)C#Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L05 compound treatment -0.153 0.369 0.33 -0.217 0.316 0.3 0.327 0.795434169278997 0.785671072507344 0.816 0.9041 3132553 CMLD2_000828 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C/C[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L06 compound treatment 2.46 2.98 1.56 8.132 8.67 1.95 3.015 3.483434169279 1.77135404526244 3.0496 0.9961 3011830 CMLD2_000829 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L07 mock treatment 0.142 0.664 0.59 -0.496 0.037 0.04 0.335 0.803434169278997 0.793572881133137 0.8177 0.8277 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L08 mock treatment -0.441 0.0814 0.07 0.288 0.821 0.78 0.325 0.793434169278997 0.783695620350896 0.9456 0.8522 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L09 compound treatment 0.026 0.548 0.48 -0.196 0.337 0.32 -0.132 0.336434169278997 0.332304802602508 0.6572 0.9812 3132554 CMLD2_000830 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@@H](O)COCc2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L10 compound treatment -0.597 -0.0746 -0.07 -0.5 0.033 0.03 -0.706 -0.237565830721003 -0.234649966298093 -0.1554 -0.6321 3011831 CMLD2_000831 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L11 compound treatment 0.391 0.913 0.81 -0.022 0.511 0.49 -0.301 0.167434169278997 0.165379095382644 0.8428 0.8804 3132555 CMLD2_000832 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC(C)CN4CCCCc5nc(C)c(C)cc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L12 compound treatment -0.878 -0.356 -0.31 -0.39 0.143 0.14 -1.143 -0.674565830721003 -0.666286262482001 -0.4875 -0.6507 3132556 CMLD2_000833 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O)C=C[C@@H]1Oc7ccc(OC)cc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L13 compound treatment -0.187 0.335 0.3 -0.029 0.504 0.48 -0.346 0.122434169278997 0.120931421862562 0.5183 0.8979 3011832 CMLD2_000834 C[C@@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cn(nn6)[C@H](CO)Cc7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L14 compound treatment -0.475 0.0474 0.04 -0.558 -0.025 -0.02 -0.55 -0.081565830721003 -0.0805646980951426 -0.036 -0.3836 3132557 CMLD2_000835 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L15 mock treatment -0.12 0.402 0.36 -0.085 0.448 0.43 -0.159 0.309434169278997 0.305636198490459 0.6283 0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L16 mock treatment -0.125 0.397 0.35 -0.26 0.273 0.26 -0.271 0.197434169278997 0.195010877729366 0.4656 0.9727 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L17 compound treatment -0.319 0.203 0.18 -0.263 0.27 0.26 -0.43 0.038434169278997 0.0379624312917428 0.2743 0.8675 3132558 CMLD2_000836 CO[C@H](/C=N/OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L18 compound treatment -0.479 0.0434 0.04 -0.516 0.017 0.02 -0.689 -0.220565830721003 -0.217858622968285 -0.0942 -0.4248 3011833 CMLD2_000837 CC(=NOC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L19 compound treatment -0.393 0.129 0.11 -0.703 -0.17 -0.16 -0.415 0.053434169278997 0.0527783224651034 0.0031 0.015 3011834 CMLD2_000838 CO/N=C/c1ccc(cc1)C(=O)N2[C@@H](CC[C@H](C)[C@H]2c3ccc(C)cc3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L20 compound treatment -0.268 0.254 0.22 -0.337 0.196 0.19 -0.369 0.099434169278997 0.0982137220634094 0.2944 0.9545 3132559 CMLD2_000839 CCC(=O)[C@]1(O)[C@H]2CCOC(=O)C2=C3N(Cc4ccccc4)C(=C([C@H](N3C1=O)c5ccccc5)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L21 compound treatment -0.526 -0.00355 0.0 -0.301 0.232 0.22 -0.348 0.120434169278997 0.118955969706114 0.1945 0.7747 3132529 CMLD2_000840 CCCC[C@@H]1CN2[C@@H]([C@@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L22 compound treatment -0.742 -0.22 -0.19 -1.0 -0.467 -0.44 -0.423 0.045434169278997 0.0448765138393111 -0.343 -0.7037 3011835 CMLD2_000841 CO[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)C)[C@@H](C)[C@H](OC)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L23 mock treatment -0.772 -0.25 -0.22 -0.307 0.226 0.22 -0.169 0.299434169278997 0.295758937708218 0.1677 0.3925 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 L24 mock treatment -0.613 -0.0906 -0.08 -0.537 -0.00395 0.0 -0.628 -0.159565830721003 -0.157607332196618 -0.1394 -0.7883 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M01 compound treatment -0.3 0.222 0.2 0.467 1.0 0.95 -0.125 0.343434169278997 0.339218885150076 0.8594 0.8342 3132560 CMLD2_000842 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)CCC[C@H]1C)[C@@H](O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M02 compound treatment -1.443 -0.921 -0.81 -0.647 -0.114 -0.11 -0.609 -0.140565830721003 -0.138840536710361 -0.6127 -0.7358 3011836 CMLD2_000843 C[C@H]/1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C\C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M03 compound treatment 0.3 0.822 0.73 0.034 0.567 0.54 -0.269 0.199434169278997 0.196986329885814 0.8454 0.912 3132561 CMLD2_000844 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC(C)CN3CCCc4nc(C)c(C)cc34)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M04 compound treatment -0.96 -0.438 -0.39 -0.413 0.12 0.11 -0.5 -0.031565830721003 -0.0311783941839403 -0.1753 -0.4333 3132562 CMLD2_000845 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M05 compound treatment -0.871 -0.349 -0.31 -0.873 -0.34 -0.32 -0.289 0.179434169278997 0.177231808321333 -0.2626 -0.546 3011870 CMLD2_000846 CC(=O)OC[C@H]1O[C@H](C/C=N/OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M06 compound treatment 0.467 0.989 0.87 0.72 1.25 1.19 0.375 0.843434169278997 0.833081924262098 1.6752 0.9864 3132563 CMLD2_000847 C[C@@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@@H]4COC[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M07 compound treatment -0.223 0.299 0.26 -0.354 0.179 0.17 -0.295 0.173434169278997 0.171305451851989 0.3502 0.9769 3011871 CMLD2_000848 C[C@@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@@H]4COC[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M08 compound treatment -0.661 -0.139 -0.12 -0.812 -0.279 -0.27 -0.702 -0.233565830721003 -0.230699061985197 -0.3573 -0.959 3132564 CMLD2_000849 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)cc2)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M09 mock treatment -0.329 0.193 0.17 0.308 0.841 0.8 -0.482 -0.013565830721003 -0.0133993247759075 0.5536 0.6756 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M10 mock treatment -0.323 0.199 0.18 -0.133 0.4 0.38 -0.548 -0.079565830721003 -0.0785892459386945 0.2765 0.6471 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M11 compound treatment 0.438 0.96 0.85 0.041 0.574 0.55 0.25 0.718434169278997 0.709616164484093 1.2157 0.9849 3011872 CMLD2_000850 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC(C)CN4CCCc5nc(C)c(C)cc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M12 compound treatment -0.536 -0.0136 -0.01 -0.833 -0.3 -0.29 -0.377 0.091434169278997 0.0903119134376171 -0.1198 -0.3993 3132565 CMLD2_000851 CC(=O)OC[C@H]1O[C@H](CCO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M13 mock treatment -0.44 0.0824 0.07 -0.608 -0.075 -0.07 -0.312 0.156434169278997 0.15451410852218 0.0901 0.4864 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M14 mock treatment -0.219 0.303 0.27 -0.323 0.21 0.2 -0.429 0.039434169278997 0.0389501573699668 0.2929 0.8693 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M15 compound treatment -0.299 0.223 0.2 -0.19 0.343 0.33 -0.306 0.162434169278997 0.160440464991524 0.3954 0.9545 3132566 CMLD2_000852 CCc1cc2CN(CC/C(=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M16 compound treatment -0.618 -0.0956 -0.08 -0.632 -0.099 -0.09 -0.379 0.089434169278997 0.088336461281169 -0.0522 -0.3382 3011873 CMLD2_000853 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M17 compound treatment -1.217 -0.695 -0.61 -0.714 -0.181 -0.17 -0.488 -0.019565830721003 -0.0193256812452518 -0.4652 -0.7291 3130490 CMLD2_000854 CO[C@H](/C=N/O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M18 compound treatment -0.671 -0.149 -0.13 -0.163 0.37 0.35 -0.58 -0.111565830721003 -0.110196480441864 0.0641 0.1635 3011875 CMLD2_000855 CC(=NOC1C=C[C@@H](CC=C)O[C@@H]1CO)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M19 compound treatment 0.228 0.75 0.66 -0.295 0.238 0.23 0.0 0.468434169278997 0.462684644928082 0.7811 0.9298 3130491 CMLD2_000856 CO/N=C/[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)\C=C\CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M20 compound treatment -0.362 0.16 0.14 -0.407 0.126 0.12 -0.481 -0.012565830721003 -0.0124115986976835 0.1441 0.7734 3132404 CMLD2_000857 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M21 compound treatment -0.701 -0.179 -0.16 -0.206 0.327 0.31 -0.879 -0.410565830721003 -0.405526577830853 -0.1454 -0.2717 3011876 CMLD2_000858 C[C@H]1CC[C@@H]2N(C[C@@H](CO)OC2=O)[C@@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M22 compound treatment -0.565 -0.0426 -0.04 -0.609 -0.076 -0.07 -0.733 -0.264565830721003 -0.261318570410143 -0.2144 -0.7831 3130492 CMLD2_000859 CO[C@@H]([C@H](C)/C=C/CC(=O)OC)c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M23 mock treatment 0.023 0.545 0.48 -0.337 0.196 0.19 -0.14 0.328434169278997 0.324402993976716 0.5735 0.9395 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 M24 mock treatment -0.255 0.267 0.24 -0.457 0.076 0.07 -0.357 0.111434169278997 0.110066435002098 0.2419 0.8936 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N01 compound treatment -1.126 -0.604 -0.53 -0.928 -0.395 -0.38 -0.923 -0.454565830721003 -0.448986525272711 -0.7845 -0.9901 3130493 CMLD2_000860 CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)CCC[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N02 compound treatment -0.221 0.301 0.27 0.022 0.555 0.53 0.0 0.468434169278997 0.462684644928082 0.7263 0.9665 3011877 CMLD2_000861 CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N03 compound treatment 0.0 0.522 0.46 0.088 0.621 0.59 -0.328 0.140434169278997 0.138710491270595 0.6883 0.9018 3130494 CMLD2_000862 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)/C)c5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N04 compound treatment -1.802 -1.28 -1.13 -1.457 -0.924 -0.88 -1.951 -1.482565830721 -1.46436893368703 -2.0068 -0.9793 3130495 CMLD2_000863 C/C(=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(C)cc4)C#Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N05 compound treatment -0.874 -0.352 -0.31 -0.664 -0.131 -0.12 -0.656 -0.187565830721003 -0.185263662386891 -0.3584 -0.9365 3011878 CMLD2_000864 CC(=O)OC[C@H]1O[C@H](C/C=N/O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N06 compound treatment -0.1 0.422 0.37 0.051 0.584 0.56 0.103 0.571434169278997 0.564420430985158 0.8627 0.9847 3130496 CMLD2_000865 C[C@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N07 compound treatment -0.047 0.475 0.42 -0.05 0.483 0.46 0.2 0.668434169278997 0.660229860572891 0.8896 0.9797 3011879 CMLD2_000866 C[C@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N08 compound treatment -0.224 0.298 0.26 -0.186 0.347 0.33 -0.5 -0.031565830721003 -0.0311783941839403 0.3252 0.7668 3130497 CMLD2_000867 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)cc2)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N09 mock treatment -0.467 0.0554 0.05 -0.299 0.234 0.22 -0.41 0.058434169278997 0.0577169528562237 0.1904 0.8084 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N10 mock treatment -0.462 0.0604 0.05 -0.567 -0.034 -0.03 -0.34 0.128434169278997 0.126857778331907 0.0854 0.6041 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N11 compound treatment -0.702 -0.18 -0.16 -0.536 -0.00295 0.0 -0.689 -0.220565830721003 -0.217858622968285 -0.2191 -0.8126 3011881 CMLD2_000868 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N12 compound treatment 0.0 0.522 0.46 -0.139 0.394 0.38 -0.03 0.438434169278997 0.43305286258136 0.7334 0.9964 3130498 CMLD2_000869 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N13 mock treatment -0.558 -0.0356 -0.03 -0.25 0.283 0.27 -0.337 0.131434169278997 0.129820956566579 0.2125 0.7061 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N14 mock treatment -0.342 0.18 0.16 -0.311 0.222 0.21 -0.065 0.403434169278997 0.398482449843519 0.4443 0.9285 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N15 compound treatment -0.438 0.0844 0.07 -0.333 0.2 0.19 -0.53 -0.061565830721003 -0.0608101765306617 0.118 0.5528 3130499 CMLD2_000870 CCc1cc2CN(CC/C(=N/O[C@@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N16 compound treatment -0.212 0.31 0.27 -0.184 0.349 0.33 -0.083 0.385434169278997 0.380703380435486 0.5702 0.9914 3011882 CMLD2_000871 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N17 compound treatment 0.313 0.835 0.74 0.533 1.07 1.02 0.748 1.216434169279 1.20150375143967 1.7065 0.9819 3130500 CMLD2_000872 CO[C@H](/C=N/OC[C@@H](O)COCc1ccco1)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N18 compound treatment -0.147 0.375 0.33 -0.246 0.287 0.27 -0.105 0.363434169278997 0.358973406714557 0.5568 0.9939 3011884 CMLD2_000873 CC(=NOC[C@@H](O)COCc1ccco1)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N19 compound treatment -0.418 0.104 0.09 -0.444 0.089 0.08 -0.535 -0.066565830721003 -0.0657488069217819 0.0643 0.4544 3130501 CMLD2_000874 CO/N=C\1/[C@H](O)[C@H](Oc2ccc(OC)cc12)c3cccc(OC)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N20 compound treatment -0.442 0.0804 0.07 -0.278 0.255 0.24 -0.655 -0.186565830721003 -0.184275936308667 0.075 0.2394 3131849 CMLD2_000875 COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23O[C@]1(C(=O)OC)C(=O)N3[C@@H](C(=C(C)N2Cc4ccccc4)C(=O)OC)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N21 compound treatment -0.19 0.332 0.29 -0.343 0.19 0.18 -0.407 0.061434169278997 0.0606801310908958 0.3093 0.8823 3011885 CMLD2_000876 C[C@@H]1CC[C@@H]2N(C[C@H](COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N22 compound treatment -1.138 -0.616 -0.54 -0.687 -0.154 -0.15 -0.782 -0.313565830721003 -0.309717148243121 -0.5777 -0.8983 3130502 CMLD2_000877 CO[C@@H]([C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)/C=C/CC(=O)OC)C2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N23 mock treatment -0.451 0.0714 0.06 -0.362 0.171 0.16 -0.446 0.022434169278997 0.022158814040158 0.1433 0.8137 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 N24 mock treatment 0.474 0.996 0.88 -0.188 0.345 0.33 -0.203 0.265434169278997 0.262176251048601 0.8498 0.8705 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O01 compound treatment 0.578 1.1 0.97 0.36 0.893 0.85 0.532 1.000434169279 0.988154918543273 1.6234 0.9979 3011886 CMLD2_000878 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@@H]1C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O02 compound treatment -0.161 0.361 0.32 0.355 0.888 0.85 -0.117 0.351434169278997 0.347120693775869 0.8733 0.9016 3130503 CMLD2_000879 CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O03 compound treatment -1.6 -1.08 -0.95 -0.95 -0.417 -0.4 -1.302 -0.833565830721003 -0.823334708919624 -1.2547 -0.9503 3130504 CMLD2_000880 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)/C)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O04 compound treatment -1.865 -1.34 -1.19 -1.843 -1.31 -1.25 -1.957 -1.488565830721 -1.47029529015637 -2.2547 -0.9957 3130505 CMLD2_000881 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O05 compound treatment 1.291 1.81 1.41 1.325 1.86 1.53 0.991 1.459434169279 1.44152118844811 2.5297 0.9994 3130506 CMLD2_000882 CC(=O)OC[C@H]1O[C@H](C/C=N/OC[C@@H](O)COCc2ccco2)C=C[C@@H]1OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O06 compound treatment -1.3 -0.778 -0.69 -1.0 -0.467 -0.44 -0.869 -0.400565830721003 -0.395649317048613 -0.8821 -0.97 3011921 CMLD2_000883 C[C@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cc(no3)c4c(C)cc(C)cc4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O07 compound treatment -0.667 -0.145 -0.13 -0.716 -0.183 -0.17 -0.201 0.267434169278997 0.264151703205049 -0.0219 -0.0642 3130507 CMLD2_000884 C[C@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cc(no3)c4c(C)cc(C)cc4C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O08 compound treatment -0.223 0.299 0.26 0.048 0.581 0.55 0.042 0.510434169278997 0.504169140213492 0.7635 0.9614 3130508 CMLD2_000885 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)cc2)c5ccc(C)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O09 compound treatment -0.267 0.255 0.23 -0.338 0.195 0.19 -0.333 0.135434169278997 0.133771860879475 0.3149 0.9792 3011922 CMLD2_000886 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@H](C)c2cn(nn2)[C@@H]3COC[C@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O10 compound treatment -0.273 0.249 0.22 -0.367 0.166 0.16 -0.617 -0.148565830721003 -0.146742345336153 0.1339 0.4341 3130509 CMLD2_000887 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@H]4C=C[C@@H](CC=C)O[C@@H]4CO)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O11 mock treatment 0.111 0.633 0.56 -0.397 0.136 0.13 -0.36 0.108434169278997 0.107103256767426 0.46 0.7867 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O12 mock treatment -0.036 0.486 0.43 -0.108 0.425 0.4 -0.016 0.452434169278997 0.446881027676497 0.7401 0.9992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O13 compound treatment -0.895 -0.373 -0.33 -0.856 -0.323 -0.31 -1.037 -0.568565830721003 -0.561587298190252 -0.692 -0.961 3011925 CMLD2_000888 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C/[C@@H](C)[C@H](OCc3ccccc3)C(C)C)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O14 compound treatment -0.592 -0.0696 -0.06 0.467 1.0 0.95 -1.052 -0.583565830721003 -0.576403189363613 0.1818 0.163 3130636 CMLD2_000889 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O15 compound treatment -0.37 0.152 0.13 -0.409 0.124 0.12 -0.305 0.163434169278997 0.161428191069748 0.2392 0.9918 3011927 CMLD2_000890 CCc1cc2CN(CC/C(=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O16 compound treatment -0.703 -0.181 -0.16 -0.683 -0.15 -0.14 -1.014 -0.545565830721003 -0.538869598391099 -0.4858 -0.8377 3130637 CMLD2_000891 C[C@@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@@H]6COC[C@H]6O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O17 compound treatment -0.17 0.352 0.31 0.033 0.566 0.54 0.462 0.930434169278997 0.91901409306759 1.0218 0.9204 3130638 CMLD2_000892 CO[C@H](/C=N/O[C@H](C)c1cn(nn1)[C@@H]2COC[C@H]2O)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O18 compound treatment -0.28 0.242 0.21 0.284 0.817 0.78 -0.328 0.140434169278997 0.138710491270595 0.6532 0.7974 3011928 CMLD2_000893 C[C@@H](ON=C(C)C)c1cn(nn1)[C@@H]2COC[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O19 compound treatment 0.196 0.718 0.64 0.125 0.658 0.63 -0.257 0.211434169278997 0.208839042824502 0.8492 0.9266 3130639 CMLD2_000894 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O20 compound treatment 0.318 0.84 0.74 -0.398 0.135 0.13 0.081 0.549434169278997 0.542690457264229 0.8166 0.8789 3011929 CMLD2_000895 CCN1C(=C([C@H](N2C(=O)[C@@](O)(CC(=C12)C(=O)C)C(=O)OC)c3ccccc3)C(=O)OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O21 compound treatment -0.729 -0.207 -0.18 -0.953 -0.42 -0.4 -0.821 -0.352565830721003 -0.348238465293858 -0.5375 -0.9581 3130640 CMLD2_000896 C[C@@H]1CC[C@@H]2N(C[C@@H](COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O22 mock treatment -0.068 0.454 0.4 0.173 0.706 0.67 -0.159 0.309434169278997 0.305636198490459 0.7968 0.9474 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O23 mock treatment -0.225 0.297 0.26 -0.417 0.116 0.11 -0.349 0.119434169278997 0.11796824362789 0.2838 0.9192 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 O24 mock treatment -0.297 0.225 0.2 -0.016 0.517 0.49 -0.281 0.187434169278997 0.185133616947125 0.5063 0.8999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P01 compound treatment 0.129 0.651 0.58 0.232 0.765 0.73 0.137 0.605434169278997 0.598003117644776 1.0986 0.9944 3011930 CMLD2_000897 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P02 compound treatment 0.053 0.575 0.51 -0.347 0.186 0.18 -0.443 0.025434169278997 0.0251219922748302 0.4106 0.7612 3130641 CMLD2_000898 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P03 compound treatment -2.259 -1.74 -1.54 -1.733 -1.2 -1.14 -2.075 -1.606565830721 -1.58684696738681 -2.4626 -0.9904 3130642 CMLD2_000899 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC[C@@H](O)COCc3ccco3)/C)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P04 compound treatment -1.015 -0.493 -0.44 -0.685 -0.152 -0.14 -0.744 -0.275565830721003 -0.272183557270607 -0.4921 -0.9224 3130643 CMLD2_000900 C[C@@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cn(nn4)[C@@H]5COC[C@H]5O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P05 compound treatment -0.316 0.206 0.18 -0.37 0.163 0.16 -0.505 -0.036565830721003 -0.0361170245750606 0.1742 0.7187 3011932 CMLD2_000901 C[C@@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cn(nn2)[C@@H]3COC[C@H]3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P06 compound treatment -1.486 -0.964 -0.85 -1.452 -0.919 -0.88 -0.887 -0.418565830721003 -0.413428386456645 -1.236 -0.9584 3130644 CMLD2_000902 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P07 compound treatment -1.223 -0.701 -0.62 -1.338 -0.805 -0.77 -0.387 0.081434169278997 0.0804346526553766 -0.7539 -0.7623 3011933 CMLD2_000903 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P08 compound treatment 0.838 1.36 1.2 0.038 0.571 0.54 -0.17 0.298434169278997 0.294771211629994 1.1787 0.8714 3130645 CMLD2_000904 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)cc2)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P09 compound treatment -0.31 0.212 0.19 -0.754 -0.221 -0.21 -0.627 -0.158565830721003 -0.156619606118394 -0.1035 -0.3208 3011935 CMLD2_000905 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P10 compound treatment -0.423 0.0994 0.09 -0.254 0.279 0.27 -0.324 0.144434169278997 0.142661395583491 0.2866 0.912 3130646 CMLD2_000906 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](O)COCc4ccco4)/[C@@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P11 mock treatment -0.362 0.16 0.14 -0.425 0.108 0.1 -0.382 0.086434169278997 0.0853732830464969 0.1906 0.9778 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P12 mock treatment -0.626 -0.104 -0.09 -0.347 0.186 0.18 -0.388 0.080434169278997 0.0794469265771526 0.0953 0.444 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P13 compound treatment -1.226 -0.704 -0.62 -1.257 -0.724 -0.69 -1.319 -0.850565830721003 -0.840126052249432 -1.2423 -0.992 3130647 CMLD2_000907 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1Oc3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P14 compound treatment -1.141 -0.619 -0.55 -0.816 -0.283 -0.27 -1.105 -0.636565830721003 -0.628752671509487 -0.8344 -0.9527 3011936 CMLD2_000908 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P15 compound treatment -1.366 -0.844 -0.75 -1.115 -0.582 -0.55 -1.364 -0.895565830721003 -0.884573725769515 -1.2614 -0.9832 3130648 CMLD2_000909 CCc1cc2CN(CC/C(=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)/C)CCc2nc1CC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P16 compound treatment -0.754 -0.232 -0.2 -0.533 4.82E-5 0.0 -0.523 -0.054565830721003 -0.0538960939830934 -0.1493 -0.7052 3130649 CMLD2_000910 C[C@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@H](CO)Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P17 compound treatment -0.773 -0.251 -0.22 -0.703 -0.17 -0.16 -0.567 -0.0985658307210029 -0.0973560414249512 -0.2776 -0.9534 3011937 CMLD2_000911 CO[C@H](/C=N/O[C@@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)[C@H](C)/C=C/CC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P18 compound treatment -0.67 -0.148 -0.13 -0.544 -0.011 -0.01 -0.233 0.235434169278997 0.232544468701879 0.0529 0.1983 3130650 CMLD2_000912 C[C@H](ON=C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P19 compound treatment -0.075 0.447 0.4 -0.266 0.267 0.25 -0.242 0.226434169278997 0.223654933997863 0.5044 0.9685 3011939 CMLD2_000913 CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P20 compound treatment -0.677 -0.155 -0.14 -0.371 0.162 0.15 -0.378 0.090434169278997 0.089324187359393 0.0618 0.2751 3131985 CMLD2_000914 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C)C4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P21 compound treatment 0.394 0.916 0.81 -0.328 0.205 0.2 -0.371 0.097434169278997 0.0962382699069614 0.6361 0.7582 3130651 CMLD2_000915 C[C@@H]1CC[C@@H]2N(C[C@H](COC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P22 mock treatment -0.29 0.232 0.21 -0.197 0.336 0.32 -0.171 0.297434169278997 0.29378348555177 0.4731 0.9843 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P23 mock treatment -0.412 0.11 0.1 -0.25 0.283 0.27 -0.256 0.212434169278997 0.209826768902726 0.3332 0.9377 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2111 P24 mock treatment -0.477 0.0454 0.04 -0.432 0.101 0.1 -0.329 0.139434169278997 0.137722765192371 0.1583 0.9162 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A01 compound treatment -1.803 -1.28 -1.13 -1.048 -0.515 -0.49 -0.823 -0.354565830721003 -0.350213917450307 -1.1391 -0.8881 3221174 PK04_130001 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A02 compound treatment -1.263 -0.741 -0.65 -0.783 -0.25 -0.24 -0.308 0.160434169278997 0.158465012835076 -0.424 -0.5934 3211805 PK04_130002 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A03 compound treatment -1.606 -1.08 -0.96 -0.618 -0.085 -0.08 -0.722 -0.253565830721003 -0.250453583549678 -0.7444 -0.7493 3221177 PK04_130003 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCc4ccccc4F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A04 compound treatment -1.276 -0.754 -0.67 -1.224 -0.691 -0.66 -0.444 0.024434169278997 0.0241342661966061 -0.7507 -0.8013 3080218 PK04_130004 OCCC[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A05 compound treatment -1.651 -1.13 -1.0 -1.92 -1.39 -1.32 -1.07 -0.601565830721003 -0.594182258771646 -1.6819 -0.9562 3221180 PK04_130005 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccc(O)cc2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A06 compound treatment -2.062 -1.54 -1.36 -1.173 -0.64 -0.61 -1.933 -1.464565830721 -1.446589864279 -1.973 -0.9496 3211801 PK04_130006 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A07 compound treatment -1.778 -1.26 -1.11 -1.571 -1.04 -0.99 -1.592 -1.123565830721 -1.1097752716046 -1.8525 -0.9986 3221183 PK04_130007 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2O)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A08 compound treatment -1.547 -1.02 -0.91 -1.242 -0.709 -0.68 -0.843 -0.374565830721003 -0.369968439014787 -1.1265 -0.9475 3080220 PK04_130008 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A09 compound treatment -1.085 -0.563 -0.5 -1.0 -0.467 -0.44 -1.15 -0.681565830721003 -0.673200345029569 -0.9326 -0.9839 3221185 PK04_130009 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccc(O)cc2)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A10 compound treatment -2.102 -1.58 -1.4 -1.673 -1.14 -1.09 -1.921 -1.452565830721 -1.43473715134031 -2.2616 -0.9929 3080222 PK04_130010 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A11 compound treatment -0.156 0.366 0.32 -0.265 0.268 0.26 -0.426 0.042434169278997 0.0419133356046389 0.3587 0.865 3221188 PK04_130011 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccc(Cl)cc2)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A12 compound treatment -1.925 -1.4 -1.24 -1.26 -0.727 -0.69 -1.643 -1.174565830721 -1.16014930159402 -1.7856 -0.9736 3211814 PK04_130012 C[C@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A13 mock treatment -1.594 -1.07 -0.95 -1.152 -0.619 -0.59 -1.029 -0.560565830721003 -0.55368548956446 -1.2071 -0.969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A14 mock treatment -1.0 -0.478 -0.42 -0.719 -0.186 -0.18 -0.75 -0.281565830721003 -0.278109913739951 -0.5066 -0.9457 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A15 compound treatment -0.874 -0.352 -0.31 -0.449 0.084 0.08 -0.448 0.020434169278997 0.0201833618837099 -0.1216 -0.378 3221191 PK04_130013 OCCCCCCNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A16 compound treatment -1.543 -1.02 -0.9 -1.415 -0.882 -0.84 -0.75 -0.281565830721003 -0.278109913739951 -1.1666 -0.923 3080206 PK04_130014 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A17 compound treatment -1.464 -0.942 -0.83 -0.593 -0.06 -0.06 -0.545 -0.076565830721003 -0.0756260677040224 -0.5572 -0.6651 3221194 PK04_130015 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A18 compound treatment -2.333 -1.81 -1.6 -1.059 -0.526 -0.5 -1.9 -1.431565830721 -1.4139949036976 -2.0298 -0.9253 3211690 PK04_130016 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A19 compound treatment -0.769 -0.247 -0.22 -0.971 -0.438 -0.42 -0.978 -0.509565830721003 -0.503311459575033 -0.6573 -0.9538 3221197 PK04_130017 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2F)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A20 compound treatment -0.98 -0.458 -0.4 -0.574 -0.041 -0.04 -0.295 0.173434169278997 0.171305451851989 -0.1572 -0.3564 3189020 PK04_130018 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A21 compound treatment -1.211 -0.689 -0.61 -1.295 -0.762 -0.73 -1.397 -0.928565830721003 -0.917168686350908 -1.3001 -0.986 2019329 PK04_130019 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCCCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A22 compound treatment -1.419 -0.897 -0.79 -1.019 -0.486 -0.46 -1.026 -0.557565830721003 -0.550722311329788 -1.0429 -0.9742 3080190 PK04_130020 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A23 compound treatment -0.104 0.418 0.37 -0.4 0.133 0.13 -0.471 -0.00256583072100297 -0.00253433791544304 0.2853 0.7296 3221200 PK04_130021 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCCCC2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 A24 compound treatment -0.849 -0.327 -0.29 -0.73 -0.197 -0.19 -0.829 -0.360565830721003 -0.356140273919651 -0.4806 -0.9702 3211695 PK04_130022 CO[C@@H](CCO)[C@@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B01 compound treatment -0.244 0.278 0.25 0.063 0.596 0.57 0.364 0.832434169278997 0.822216937401634 0.9447 0.9179 3176327 PK04_130023 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B02 compound treatment 0.5 1.02 0.9 0.242 0.775 0.74 -0.366 0.102434169278997 0.101176900298082 1.0066 0.8592 3221203 PK04_130024 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B03 compound treatment -0.449 0.0734 0.06 -0.806 -0.273 -0.26 -0.676 -0.207565830721003 -0.205018183951372 -0.231 -0.6846 3052745 PK04_130025 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B04 compound treatment -0.212 0.31 0.27 0.065 0.598 0.57 0.141 0.609434169278997 0.601954021957672 0.8349 0.9563 3221205 PK04_130026 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B05 compound treatment -0.352 0.17 0.15 -0.518 0.015 0.01 -0.38 0.088434169278997 0.0873487352029449 0.1457 0.8337 3176512 PK04_130027 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B06 compound treatment -0.349 0.173 0.15 -0.932 -0.399 -0.38 -0.359 0.109434169278997 0.10809098284565 -0.0685 -0.1616 3221207 PK04_130028 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(C)c3ccccc32)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B07 compound treatment 0.319 0.841 0.74 0.188 0.721 0.69 -0.186 0.282434169278997 0.27896759437841 0.9872 0.9399 3176123 PK04_130029 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B08 compound treatment -0.364 0.158 0.14 -0.559 -0.026 -0.02 -0.549 -0.080565830721003 -0.0795769720169185 0.0207 0.1267 3221209 PK04_130030 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B09 compound treatment -0.632 -0.11 -0.1 -0.354 0.179 0.17 0.105 0.573434169278997 0.566395883141606 0.3696 0.6166 3052645 PK04_130031 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B10 compound treatment -0.455 0.0674 0.06 -0.912 -0.379 -0.36 -0.982 -0.513565830721003 -0.50726236388793 -0.4669 -0.7464 3221211 PK04_130032 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B11 compound treatment -0.286 0.236 0.21 -0.19 0.343 0.33 0.215 0.683434169278997 0.675045751746251 0.6991 0.8979 3052831 PK04_130033 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B12 compound treatment -0.256 0.266 0.24 -0.161 0.372 0.35 0.073 0.541434169278997 0.534788648638437 0.6494 0.9502 3221213 PK04_130034 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B13 mock treatment -2.653 -2.13 -1.88 -2.061 -1.53 -1.46 -2.075 -1.606565830721 -1.58684696738681 -2.8441 -0.9941 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B14 mock treatment -0.444 0.0784 0.07 -0.355 0.178 0.17 -0.011 0.457434169278997 0.451819658067617 0.3988 0.818 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B15 compound treatment -0.309 0.213 0.19 -0.197 0.336 0.32 -0.125 0.343434169278997 0.339218885150076 0.4896 0.9731 3176778 PK04_130035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B16 compound treatment -0.909 -0.387 -0.34 -0.535 -0.00195 0.0 -1.125 -0.656565830721003 -0.648507193073968 -0.5728 -0.7814 3221214 PK04_130036 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccccc32)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B17 compound treatment -0.376 0.146 0.13 -0.719 -0.186 -0.18 -0.509 -0.040565830721003 -0.0400679288879567 -0.0507 -0.2271 3176195 PK04_130037 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B18 compound treatment -0.47 0.0524 0.05 -0.985 -0.452 -0.43 -0.816 -0.347565830721003 -0.343299834902738 -0.42 -0.7601 3221216 PK04_130038 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(CC=C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B19 compound treatment 1.136 1.66 1.38 1.27 1.8 1.52 2.0 2.468434169279 1.65560629505262 2.6291 0.9972 3052584 PK04_130039 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B20 compound treatment -0.224 0.298 0.26 -0.412 0.121 0.12 -0.458 0.010434169278997 0.0103061011014695 0.2249 0.7804 3221218 PK04_130040 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B21 compound treatment 0.309 0.831 0.74 0.574 1.11 1.05 0.61 1.078434169279 1.06519755264475 1.6483 0.9873 3176736 PK04_130041 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B22 compound treatment -1.196 -0.674 -0.6 -1.013 -0.48 -0.46 -1.206 -0.737565830721003 -0.728513005410115 -1.0284 -0.983 3221220 PK04_130042 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(C)c3c2cc(C)cc3Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B23 compound treatment -0.878 -0.356 -0.31 -0.494 0.039 0.04 -0.042 0.426434169278997 0.421200149642672 0.0832 0.1579 3052927 PK04_130043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 B24 compound treatment -0.869 -0.347 -0.31 -1.138 -0.605 -0.58 -1.076 -0.607565830721003 -0.60010861524099 -0.8561 -0.9656 3221222 PK04_130044 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C01 compound treatment -0.529 -0.00655 -0.01 -0.29 0.243 0.23 -0.514 -0.045565830721003 -0.045006559279077 0.1043 0.4423 3221224 PK04_130045 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(Cl)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C02 compound treatment 1.493 2.02 1.44 -0.533 4.82E-5 0.0 -0.115 0.353434169278997 0.349096145932317 1.0348 0.6969 3211914 PK04_130046 COc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C03 compound treatment -0.772 -0.25 -0.22 -0.728 -0.195 -0.19 -0.507 -0.038565830721003 -0.0380924767315087 -0.2566 -0.8821 3221227 PK04_130047 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C04 compound treatment -1.547 -1.02 -0.91 -1.342 -0.809 -0.77 -1.794 -1.325565830721 -1.30929593940585 -1.7238 -0.9746 3211809 PK04_130048 CSc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C05 compound treatment -1.005 -0.483 -0.43 -0.421 0.112 0.11 -0.554 -0.085565830721003 -0.0845156024080388 -0.2335 -0.5214 2019446 PK04_130049 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C06 compound treatment -2.0 -1.48 -1.31 -1.611 -1.08 -1.03 -1.86 -1.391565830721 -1.37448586056864 -2.1406 -0.9927 3069417 PK04_130050 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C07 compound treatment -0.594 -0.0716 -0.06 -1.25 -0.717 -0.68 -0.366 0.102434169278997 0.101176900298082 -0.3724 -0.5372 3221230 PK04_130051 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccc(O)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C08 compound treatment 0.0 0.522 0.46 -1.253 -0.72 -0.69 -0.239 0.229434169278997 0.226618112232535 0.0015 0.0018 3080227 PK04_130052 CSc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C09 compound treatment -1.225 -0.703 -0.62 -1.8 -1.27 -1.21 -1.261 -0.792565830721003 -0.782837939712438 -1.5074 -0.962 3221232 PK04_130053 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C10 compound treatment -1.306 -0.784 -0.69 -1.256 -0.723 -0.69 -1.286 -0.817565830721003 -0.807531091668039 -1.2638 -0.9972 3080226 PK04_130054 COc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C11 mock treatment -0.318 0.204 0.18 -0.721 -0.188 -0.18 -0.778 -0.309565830721003 -0.305766243930225 -0.1756 -0.4413 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C12 mock treatment -0.777 -0.255 -0.23 -0.683 -0.15 -0.14 -0.679 -0.210565830721003 -0.207981362186044 -0.3325 -0.9834 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C13 compound treatment -0.933 -0.411 -0.36 -1.029 -0.496 -0.47 -1.042 -0.573565830721003 -0.566525928581372 -0.8094 -0.9845 3221235 PK04_130055 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCCCCCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C14 compound treatment -1.067 -0.545 -0.48 -1.01 -0.477 -0.45 -0.506 -0.037565830721003 -0.0371047506532846 -0.5617 -0.8472 3080272 PK04_130056 OCCC[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C15 mock treatment -0.917 -0.395 -0.35 -0.671 -0.138 -0.13 -0.96 -0.491565830721003 -0.485532390167001 -0.5576 -0.9109 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C16 mock treatment -0.71 -0.188 -0.17 -0.494 0.039 0.04 -0.935 -0.466565830721003 -0.4608392382114 -0.3403 -0.6929 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C17 compound treatment -0.547 -0.0246 -0.02 -0.24 0.293 0.28 -0.327 0.141434169278997 0.139698217348819 0.2293 0.7328 3221238 PK04_130057 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccc(O)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C18 compound treatment -1.167 -0.645 -0.57 -1.013 -0.48 -0.46 -0.842 -0.373565830721003 -0.368980712936563 -0.806 -0.9848 3080228 PK04_130058 OCCC[C@@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C19 compound treatment -0.716 -0.194 -0.17 -0.112 0.421 0.4 -0.252 0.216434169278997 0.213777673215623 0.2562 0.5275 2019457 PK04_130059 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C20 compound treatment -0.039 0.483 0.43 -0.468 0.065 0.06 0.954 1.422434169279 1.40497532355382 1.0937 0.7441 3080205 PK04_130060 OCCC[C@@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C21 compound treatment -0.888 -0.366 -0.32 -1.224 -0.691 -0.66 -0.852 -0.383565830721003 -0.378857973718804 -0.7854 -0.9515 3221241 PK04_130061 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c4cccs4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C22 compound treatment -0.171 0.351 0.31 -0.062 0.471 0.45 -0.027 0.441434169278997 0.436016040816033 0.6902 0.988 3211908 PK04_130062 COc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C23 compound treatment -1.057 -0.535 -0.47 -1.131 -0.598 -0.57 -1.182 -0.713565830721003 -0.704807579532738 -1.0087 -0.9869 2019323 PK04_130063 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 C24 compound treatment -1.341 -0.819 -0.72 -1.065 -0.532 -0.51 -1.062 -0.593565830721003 -0.586280450145853 -1.0489 -0.9892 3211812 PK04_130064 C[C@@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D01 compound treatment 0.927 1.45 1.28 1.0 1.53 1.46 0.774 1.242434169279 1.22718462947349 2.2916 0.9972 3175965 PK04_130065 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D02 compound treatment -1.008 -0.486 -0.43 -1.059 -0.526 -0.5 -1.217 -0.748565830721003 -0.73937799227058 -0.964 -0.9728 3221243 PK04_130066 COc1cc2c3N(C(=O)[C@@]42O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)C(C)(C)C=C(C)c3c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D03 compound treatment -0.537 -0.0146 -0.01 -0.157 0.376 0.36 -0.608 -0.139565830721003 -0.137852810632137 0.1198 0.312 3176379 PK04_130067 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D04 compound treatment -0.884 -0.362 -0.32 -0.756 -0.223 -0.21 -1.056 -0.587565830721003 -0.580354093676509 -0.6422 -0.9231 3221245 PK04_130068 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(C)c3ccccc32)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D05 compound treatment -0.528 -0.00555 0.0 -0.307 0.226 0.22 -0.47 -0.00156583072100297 -0.00154661183721899 0.1206 0.5599 3052839 PK04_130069 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D06 compound treatment -0.813 -0.291 -0.26 -0.182 0.351 0.33 -0.08 0.388434169278997 0.383666558670158 0.2663 0.4671 3221246 PK04_130070 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(C)c5c4cc(C)cc5Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D07 compound treatment 0.132 0.654 0.58 -0.247 0.286 0.27 -0.281 0.187434169278997 0.185133616947125 0.5983 0.8986 3176048 PK04_130071 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D08 compound treatment 0.574 1.1 0.97 0.056 0.589 0.56 -0.57 -0.101565830721003 -0.100319219659623 0.8257 0.7343 3221248 PK04_130072 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D09 compound treatment -0.088 0.434 0.38 -0.4 0.133 0.13 -0.462 0.00643416927899698 0.00635519678857331 0.2986 0.7382 3175970 PK04_130073 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D10 compound treatment -0.208 0.314 0.28 -0.308 0.225 0.21 -0.23 0.238434169278997 0.235507646936552 0.4203 0.9941 3221250 PK04_130074 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D11 mock treatment -0.156 0.366 0.32 -1.587 -1.05 -1.0 -1.635 -1.166565830721 -1.15224749296823 -1.0579 -0.6771 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D12 mock treatment 0.055 0.577 0.51 -0.307 0.226 0.22 -0.228 0.240434169278997 0.237483099093 0.5562 0.9226 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D13 compound treatment -0.222 0.3 0.27 0.13 0.663 0.63 1.857 2.325434169279 1.63387523226875 1.4614 0.8248 3176675 PK04_130075 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D14 compound treatment -0.136 0.386 0.34 0.191 0.724 0.69 0.45 0.918434169278997 0.907161380128902 1.1192 0.9408 3221251 PK04_130076 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D15 mock treatment -1.17 -0.648 -0.57 -2.205 -1.67 -1.59 -1.631 -1.162565830721 -1.14829658865533 -1.9131 -0.9354 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D16 mock treatment -0.363 0.159 0.14 -0.556 -0.023 -0.02 -0.485 -0.016565830721003 -0.0163625030105797 0.0593 0.4131 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D17 compound treatment 0.941 1.46 1.29 -0.4 0.133 0.13 0.118 0.586434169278997 0.579236322158519 1.1546 0.8113 3052531 PK04_130077 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D18 compound treatment -0.93 -0.408 -0.36 -1.014 -0.481 -0.46 -0.196 0.272434169278997 0.269090333596169 -0.3172 -0.4941 3221253 PK04_130078 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D19 compound treatment 1.806 2.33 1.49 0.914 1.45 1.38 2.629 3.097434169279 1.73372820583941 2.6569 0.9954 3052793 PK04_130079 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D20 compound treatment -0.737 -0.215 -0.19 -0.871 -0.338 -0.32 -0.739 -0.270565830721003 -0.267244926879487 -0.4497 -0.9788 3221255 PK04_130080 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D21 compound treatment 0.45 0.972 0.86 0.607 1.14 1.09 2.14 2.608434169279 1.67525297498108 2.0906 0.9618 3052828 PK04_130081 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D22 compound treatment -0.525 -0.00255 0.0 -1.055 -0.522 -0.5 -0.817 -0.348565830721003 -0.344287560980962 -0.4872 -0.8055 3221256 PK04_130082 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D23 compound treatment -0.329 0.193 0.17 0.542 1.08 1.02 0.116 0.584434169278997 0.577260870002071 1.0233 0.8614 3052592 PK04_130083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 D24 compound treatment -0.524 -0.00155 0.0 -0.58 -0.047 -0.04 -0.656 -0.187565830721003 -0.185263662386891 -0.1336 -0.7009 3221257 PK04_130084 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(C)c3c2cc(C)cc3Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E01 mock treatment -0.803 -0.281 -0.25 -0.761 -0.228 -0.22 -0.819 -0.350565830721003 -0.34626301313741 -0.4685 -0.9799 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E02 mock treatment -0.355 0.167 0.15 -0.333 0.2 0.19 -0.017 0.451434169278997 0.445893301598273 0.4529 0.8934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E03 compound treatment -1.115 -0.593 -0.52 -0.753 -0.22 -0.21 -0.789 -0.320565830721003 -0.316631230790689 -0.6062 -0.937 2019322 PK04_130085 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E04 compound treatment -0.754 -0.232 -0.2 -0.633 -0.1 -0.1 -0.386 0.082434169278997 0.0814223787336007 -0.1262 -0.5256 3080210 PK04_130086 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E05 compound treatment -2.12 -1.6 -1.41 -1.519 -0.986 -0.94 -1.077 -0.608565830721003 -0.601096341319214 -1.7048 -0.9473 3221259 PK04_130087 OCCCCCCNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E06 compound treatment -1.91 -1.39 -1.23 -0.968 -0.435 -0.41 -1.732 -1.263565830721 -1.24805692255596 -1.6681 -0.9275 3211802 PK04_130088 OCCC[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E07 compound treatment -1.387 -0.865 -0.76 -0.944 -0.411 -0.39 -0.929 -0.460565830721003 -0.454912881742055 -0.93 -0.9569 3221261 PK04_130089 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCc4ccc(Cl)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E08 compound treatment -1.691 -1.17 -1.03 -1.109 -0.576 -0.55 -1.0 -0.531565830721003 -0.525041433295962 -1.2164 -0.9487 3080219 PK04_130090 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E09 mock treatment -0.292 0.23 0.2 -0.282 0.251 0.24 -0.283 0.185434169278997 0.183158164790677 0.3615 0.9939 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E10 mock treatment -1.0 -0.478 -0.42 -0.75 -0.217 -0.21 -0.875 -0.406565830721003 -0.401575673517957 -0.5949 -0.9623 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E11 compound treatment -0.478 0.0444 0.04 -0.652 -0.119 -0.11 -0.486 -0.017565830721003 -0.0173502290888037 -0.0528 -0.4353 3221264 PK04_130091 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cc(=O)n(c3ccccc3)n2C)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E12 compound treatment -0.923 -0.401 -0.35 -0.698 -0.165 -0.16 -0.763 -0.294565830721003 -0.290950352756864 -0.4632 -0.9559 3069920 PK04_130092 O[C@@H](CC=C)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E13 compound treatment -1.485 -0.963 -0.85 -0.295 0.238 0.23 -0.667 -0.198565830721003 -0.196128649247356 -0.4736 -0.5249 3221266 PK04_130093 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccccc4N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E14 compound treatment -0.632 -0.11 -0.1 -0.375 0.158 0.15 -0.258 0.210434169278997 0.207851316746278 0.151 0.5505 3211678 PK04_130094 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E15 compound treatment -1.835 -1.31 -1.16 -0.773 -0.24 -0.23 -0.951 -0.482565830721003 -0.476642855462984 -1.0771 -0.8447 3221269 PK04_130095 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N4CCOCCOCCOCCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E16 compound treatment -0.299 0.223 0.2 -0.02 0.513 0.49 -0.125 0.343434169278997 0.339218885150076 0.5921 0.9445 3211906 PK04_130096 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E17 mock treatment -1.63 -1.11 -0.98 -0.917 -0.384 -0.37 -0.62 -0.151565830721003 -0.149705523570826 -0.8629 -0.8172 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E18 mock treatment -1.324 -0.802 -0.71 -0.775 -0.242 -0.23 -1.127 -0.658565830721003 -0.650482645230416 -0.9178 -0.9278 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E19 compound treatment -1.645 -1.12 -0.99 -1.139 -0.606 -0.58 -1.409 -0.940565830721003 -0.929021399289596 -1.4426 -0.9768 2019458 PK04_130097 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2O)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E20 compound treatment -0.806 -0.284 -0.25 -0.605 -0.072 -0.07 -0.458 0.010434169278997 0.0103061011014695 -0.1784 -0.6857 3211804 PK04_130098 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E21 compound treatment -1.294 -0.772 -0.68 -1.269 -0.736 -0.7 -1.206 -0.737565830721003 -0.728513005410115 -1.2192 -0.9996 3221271 PK04_130099 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2F)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E22 compound treatment -0.564 -0.0416 -0.04 -0.403 0.13 0.12 -0.25 0.218434169278997 0.215753125372071 0.1749 0.6954 3211680 PK04_130100 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E23 compound treatment -0.051 0.471 0.42 -0.61 -0.077 -0.07 -0.565 -0.0965658307210029 -0.0953805892685032 0.1432 0.3302 2019464 PK04_130101 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCCCC2)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 E24 compound treatment -0.075 0.447 0.4 -0.015 0.518 0.49 -0.085 0.383434169278997 0.378727928279038 0.732 0.9929 3211909 PK04_130102 CSc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F01 mock treatment -2.595 -2.07 -1.83 -1.786 -1.25 -1.19 -1.773 -1.304565830721 -1.28855369176315 -2.491 -0.9814 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F02 mock treatment -0.271 0.251 0.22 -0.296 0.237 0.23 -0.458 0.010434169278997 0.0103061011014695 0.2647 0.8348 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F03 compound treatment -0.784 -0.262 -0.23 -0.529 0.00405 0.0 -0.77 -0.301565830721003 -0.297864435304432 -0.3033 -0.8042 3176785 PK04_130103 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F04 compound treatment 0.537 1.06 0.94 -0.179 0.354 0.34 -0.457 0.011434169278997 0.0112938271796935 0.742 0.7453 3221273 PK04_130104 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(C)c5c4cc(C)cc5Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F05 compound treatment -0.338 0.184 0.16 0.446 0.979 0.93 -0.207 0.261434169278997 0.258225346735705 0.7817 0.7965 3176500 PK04_130105 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F06 compound treatment -1.281 -0.759 -0.67 -1.265 -0.732 -0.7 -0.892 -0.423565830721003 -0.418367016847766 -1.0313 -0.9784 3221274 PK04_130106 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(CC=C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F07 compound treatment 0.603 1.13 1.0 0.538 1.07 1.02 0.283 0.751434169278997 0.742211125065486 1.5921 0.9908 3052886 PK04_130107 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F08 compound treatment -1.263 -0.741 -0.65 -1.181 -0.648 -0.62 -1.625 -1.156565830721 -1.14237023218599 -1.3939 -0.9586 3221275 PK04_130108 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(c3ccccc32)c4ccccc4)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F09 mock treatment -2.063 -1.54 -1.36 -1.067 -0.534 -0.51 -1.516 -1.047565830721 -1.03470808965957 -1.6774 -0.94 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F10 mock treatment -0.17 0.352 0.31 -0.231 0.302 0.29 -0.216 0.252434169278997 0.249335812031688 0.49 0.9959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F11 compound treatment 0.358 0.88 0.78 0.208 0.741 0.71 0.192 0.660434169278997 0.652328051947098 1.2336 0.9974 3052654 PK04_130109 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F12 compound treatment 0.197 0.719 0.64 -0.511 0.022 0.02 -0.465 0.00343416927899698 0.00339201855390118 0.3813 0.5992 3221277 PK04_130110 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F13 compound treatment -0.174 0.348 0.31 -0.737 -0.204 -0.19 -0.411 0.057434169278997 0.0567292267779996 0.0984 0.267 3052647 PK04_130111 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F14 compound treatment -0.434 0.0884 0.08 -0.146 0.387 0.37 -0.099 0.369434169278997 0.364899763183901 0.4687 0.8934 3221279 PK04_130112 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F15 compound treatment -0.735 -0.213 -0.19 -0.229 0.304 0.29 -0.548 -0.079565830721003 -0.0785892459386945 0.0134 0.0377 3176113 PK04_130113 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F16 compound treatment -0.941 -0.419 -0.37 -0.868 -0.335 -0.32 -1.052 -0.583565830721003 -0.576403189363613 -0.7307 -0.9669 3221280 PK04_130114 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(CC=C)c5ccccc54)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F17 mock treatment -2.123 -1.6 -1.42 -1.667 -1.13 -1.08 -1.63 -1.161565830721 -1.14730886257711 -2.1031 -0.993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F18 mock treatment -0.35 0.172 0.15 -0.106 0.427 0.41 -0.333 0.135434169278997 0.133771860879475 0.4001 0.8802 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F19 compound treatment -0.742 -0.22 -0.19 -0.477 0.056 0.05 -0.37 0.098434169278997 0.0972259959851854 -0.0251 -0.1123 3052888 PK04_130115 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F20 compound treatment -1.015 -0.493 -0.44 -1.246 -0.713 -0.68 -1.586 -1.117565830721 -1.10384891513525 -1.2809 -0.9368 3221282 PK04_130116 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(c3ccccc32)c4ccccc4)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F21 compound treatment 0.242 0.764 0.68 0.111 0.644 0.61 -0.063 0.405434169278997 0.400457901999967 0.9756 0.9788 3176499 PK04_130117 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F22 compound treatment -0.385 0.137 0.12 -0.527 0.00605 0.01 -0.73 -0.261565830721003 -0.25835539217547 -0.0757 -0.265 3221283 PK04_130118 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F23 compound treatment -0.104 0.418 0.37 0.031 0.564 0.54 0.456 0.924434169278997 0.913087736598246 1.051 0.9366 3175968 PK04_130119 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 F24 compound treatment 0.023 0.545 0.48 -0.336 0.197 0.19 -0.174 0.294434169278997 0.290820307317098 0.5547 0.9345 3221284 PK04_130120 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G01 compound treatment -0.56 -0.0376 -0.03 -0.916 -0.383 -0.36 -1.065 -0.596565830721003 -0.589243628380525 -0.57 -0.8215 2019328 PK04_130121 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCOCCOCCOCCOCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G02 compound treatment -0.665 -0.143 -0.13 -0.448 0.085 0.08 -0.324 0.144434169278997 0.142661395583491 0.0564 0.2725 3211907 PK04_130122 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G03 mock treatment -1.049 -0.527 -0.47 -0.821 -0.288 -0.27 -0.643 -0.174565830721003 -0.172423223369979 -0.5267 -0.9286 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G04 mock treatment -0.727 -0.205 -0.18 -0.575 -0.042 -0.04 -0.839 -0.370565830721003 -0.366017534701891 -0.3388 -0.8259 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G05 compound treatment -0.655 -0.133 -0.12 -0.704 -0.171 -0.16 -0.667 -0.198565830721003 -0.196128649247356 -0.2749 -0.9798 3221285 PK04_130123 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCCCCCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G06 compound treatment -1.574 -1.05 -0.93 -1.387 -0.854 -0.81 -1.31 -0.841565830721003 -0.831236517545416 -1.4864 -0.9982 3211815 PK04_130124 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G07 compound treatment -0.303 0.219 0.19 -0.4 0.133 0.13 0.034 0.502434169278997 0.496267331587699 0.4717 0.8612 3221287 PK04_130125 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G08 compound treatment -0.32 0.202 0.18 -0.289 0.244 0.23 -0.541 -0.072565830721003 -0.0716751633911262 0.1962 0.6495 3211803 PK04_130126 CSc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G09 compound treatment -0.562 -0.0396 -0.03 -1.015 -0.482 -0.46 -0.859 -0.390565830721003 -0.385772056266372 -0.508 -0.8457 3221289 PK04_130127 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N4CCCCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G10 compound treatment -0.824 -0.302 -0.27 -1.033 -0.5 -0.48 -0.851 -0.382565830721003 -0.37787024764058 -0.6471 -0.9747 3211807 PK04_130128 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G11 compound treatment -1.345 -0.823 -0.73 -1.369 -0.836 -0.8 -1.313 -0.844565830721003 -0.834199695780088 -1.3613 -0.9984 2019311 PK04_130129 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc(cc2)C(=O)OC)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G12 compound treatment -0.592 -0.0696 -0.06 -0.571 -0.038 -0.04 -0.457 0.011434169278997 0.0112938271796935 -0.0499 -0.6903 3211818 PK04_130130 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G13 compound treatment 0.034 0.556 0.49 -0.473 0.06 0.06 -0.684 -0.215565830721003 -0.212919992577165 0.1941 0.3601 3221292 PK04_130131 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccccc4O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G14 compound treatment -0.043 0.479 0.42 -0.555 -0.022 -0.02 -0.476 -0.00756583072100298 -0.00747296830656326 0.2283 0.5379 3080207 PK04_130132 OCCC[C@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G15 compound treatment -0.728 -0.206 -0.18 -0.611 -0.078 -0.07 -0.476 -0.00756583072100298 -0.00747296830656326 -0.1521 -0.7743 2019470 PK04_130133 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2coc3ccccc3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G16 compound treatment -1.444 -0.922 -0.81 -1.175 -0.642 -0.61 -1.629 -1.160565830721 -1.14632113649889 -1.4853 -0.9685 3080225 PK04_130134 COc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G17 compound treatment -0.517 0.00545 0.0 -0.104 0.429 0.41 -0.177 0.291434169278997 0.287857129082426 0.405 0.81 3221294 PK04_130135 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c4coc5ccccc5c4=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G18 compound treatment -0.422 0.1 0.09 -0.84 -0.307 -0.29 -0.069 0.399434169278997 0.394531545530623 0.1102 0.2209 3211806 PK04_130136 CO[C@@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G19 mock treatment -0.403 0.119 0.11 -0.333 0.2 0.19 -0.009 0.459434169278997 0.453795110224065 0.433 0.8602 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G20 mock treatment 0.0 0.522 0.46 -0.628 -0.095 -0.09 0.239 0.707434169278997 0.698751177623628 0.6179 0.7334 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G21 compound treatment -0.378 0.144 0.13 -0.933 -0.4 -0.38 -0.481 -0.012565830721003 -0.0124115986976835 -0.1534 -0.3816 2019463 PK04_130137 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)c3coc4ccccc4c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G22 compound treatment -0.343 0.179 0.16 -0.078 0.455 0.43 -0.177 0.291434169278997 0.287857129082426 0.5081 0.9339 3080280 PK04_130138 COc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G23 compound treatment -1.216 -0.694 -0.61 -1.134 -0.601 -0.57 -1.173 -0.704565830721003 -0.695918044828722 -1.0863 -0.9967 3221297 PK04_130139 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 G24 compound treatment -0.948 -0.426 -0.38 -0.903 -0.37 -0.35 -0.901 -0.432565830721003 -0.427256551551782 -0.6674 -0.9967 3211912 PK04_130140 C[C@H](CCO)[C@@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H01 compound treatment 0.759 1.28 1.13 0.077 0.61 0.58 -0.262 0.206434169278997 0.203900412433382 1.1074 0.8587 3052931 PK04_130141 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H02 compound treatment -0.361 0.161 0.14 -0.491 0.042 0.04 -0.667 -0.198565830721003 -0.196128649247356 -0.0077 -0.0313 3221300 PK04_130142 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H03 mock treatment -1.581 -1.06 -0.94 -2.349 -1.82 -1.73 -1.376 -0.907565830721003 -0.896426438708203 -2.0567 -0.9515 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H04 mock treatment -0.579 -0.0566 -0.05 -0.407 0.126 0.12 -0.254 0.214434169278997 0.211802221059175 0.1627 0.6548 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H05 compound treatment -0.681 -0.159 -0.14 -0.238 0.295 0.28 0.606 1.074434169279 1.06124664833185 0.6941 0.6271 3176330 PK04_130143 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H06 compound treatment 0.139 0.661 0.58 -0.453 0.08 0.08 -0.279 0.189434169278997 0.187109069103573 0.4897 0.7915 3221301 PK04_130144 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H07 compound treatment 0.586 1.11 0.98 0.279 0.812 0.77 0.902 1.370434169279 1.35361356748617 1.7939 0.9742 3176685 PK04_130145 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H08 compound treatment -0.69 -0.168 -0.15 -0.449 0.084 0.08 -0.748 -0.279565830721003 -0.276134461583503 -0.1987 -0.6144 3221302 PK04_130146 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H09 compound treatment 0.786 1.31 1.16 0.351 0.884 0.84 -0.053 0.415434169278997 0.410335162782207 1.391 0.9345 3052879 PK04_130147 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H10 compound treatment -0.405 0.117 0.1 -0.602 -0.069 -0.07 0.74 1.208434169279 1.19360194281387 0.7112 0.5927 3221303 PK04_130148 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H11 compound treatment -0.285 0.237 0.21 0.046 0.579 0.55 -0.392 0.076434169278997 0.0754960222642564 0.4833 0.8122 3176775 PK04_130149 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H12 compound treatment -0.702 -0.18 -0.16 -0.689 -0.156 -0.15 -0.949 -0.480565830721003 -0.474667403306536 -0.4515 -0.8647 3221305 PK04_130150 COc1cc2c3N(C(=O)[C@]42O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)O)C(C)(C)C=C(C)c3c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H13 compound treatment 0.389 0.911 0.81 0.141 0.674 0.64 2.267 2.735434169279 1.69184294625617 1.8128 0.9151 3052783 PK04_130151 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H14 compound treatment -0.027 0.495 0.44 -0.411 0.122 0.12 -0.207 0.261434169278997 0.258225346735705 0.4691 0.8994 3221307 PK04_130152 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(CC=C)c5ccccc54)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H15 compound treatment -0.885 -0.363 -0.32 -1.022 -0.489 -0.47 -0.75 -0.281565830721003 -0.278109913739951 -0.6146 -0.9753 3176626 PK04_130153 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H16 compound treatment 0.24 0.762 0.67 -0.461 0.072 0.07 -0.41 0.058434169278997 0.0577169528562237 0.4621 0.6796 3221308 PK04_130154 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccccc32)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H17 compound treatment 0.89 1.41 1.25 0.6 1.13 1.08 1.1 1.568434169279 1.47835932262521 2.1977 0.9918 3176501 PK04_130155 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H18 compound treatment -0.234 0.288 0.26 -0.354 0.179 0.17 0.4 0.868434169278997 0.857775076217699 0.7409 0.8133 3221309 PK04_130156 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H19 mock treatment -1.714 -1.19 -1.05 -1.389 -0.856 -0.82 0.759 1.227434169279 1.21236873830013 -0.379 -0.2104 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H20 mock treatment -0.116 0.406 0.36 -0.531 0.00205 0.0 -0.503 -0.034565830721003 -0.0341415724186125 0.1889 0.5233 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H21 compound treatment -0.431 0.0914 0.08 -0.66 -0.127 -0.12 -0.879 -0.410565830721003 -0.405526577830853 -0.2573 -0.5972 3052741 PK04_130157 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H22 compound treatment -0.856 -0.334 -0.29 -1.433 -0.9 -0.86 -0.264 0.204434169278997 0.201924960276934 -0.5487 -0.5907 3221310 PK04_130158 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H23 compound treatment 0.943 1.47 1.3 0.683 1.22 1.16 1.759 2.227434169279 1.61788929780858 2.3509 0.9901 3176203 PK04_130159 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 H24 compound treatment -0.292 0.23 0.2 -0.074 0.459 0.44 -0.352 0.116434169278997 0.115005065393218 0.4365 0.8801 3221312 PK04_130160 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I01 compound treatment -2.185 -1.66 -1.47 -1.523 -0.99 -0.94 -1.479 -1.010565830721 -0.99816222476528 -1.9694 -0.9791 3221313 PK04_130161 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccc(Cl)cc2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I02 compound treatment -0.943 -0.421 -0.37 -0.66 -0.127 -0.12 -0.712 -0.243565830721003 -0.240576322767438 -0.4234 -0.9223 3080209 PK04_130162 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I03 compound treatment -0.207 0.315 0.28 -0.205 0.328 0.31 -0.242 0.226434169278997 0.223654933997863 0.4706 0.991 3221314 PK04_130163 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I04 compound treatment -0.873 -0.351 -0.31 -0.222 0.311 0.3 -0.173 0.295434169278997 0.291808033395322 0.1606 0.3097 3069956 PK04_130164 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I05 mock treatment -1.239 -0.717 -0.63 -0.625 -0.092 -0.09 -0.723 -0.254565830721003 -0.251441309627902 -0.5615 -0.8171 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I06 mock treatment -1.342 -0.82 -0.72 -0.874 -0.341 -0.32 -1.304 -0.835565830721003 -0.825310161076072 -1.0824 -0.9451 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I07 compound treatment -1.353 -0.831 -0.73 -1.079 -0.546 -0.52 -1.13 -0.661565830721003 -0.653445823465088 -1.1015 -0.9905 3221316 PK04_130165 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I08 compound treatment -0.117 0.405 0.36 -0.162 0.371 0.35 -0.141 0.327434169278997 0.323415267898492 0.5978 0.999 3211693 PK04_130166 CO[C@H](CCO)[C@H](O)c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I09 compound treatment -1.062 -0.54 -0.48 -1.237 -0.704 -0.67 -1.161 -0.692565830721003 -0.684065331890033 -1.0575 -0.9882 2019335 PK04_130167 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I10 compound treatment -0.273 0.249 0.22 -0.111 0.422 0.4 0.071 0.539434169278997 0.532813196481989 0.6671 0.9489 3080278 PK04_130168 CSc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I11 compound treatment 0.178 0.7 0.62 0.067 0.6 0.57 0.016 0.484434169278997 0.478488262179666 0.9638 0.9945 3221318 PK04_130169 COc1cc2c[n+](Cc3cc4OCOc4cc3Br)ccc2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I12 compound treatment 0.189 0.711 0.63 -0.015 0.518 0.49 -0.031 0.437434169278997 0.432065136503136 0.8975 0.9876 3211911 PK04_130170 COc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I13 compound treatment -0.538 -0.0156 -0.01 -0.051 0.482 0.46 -0.354 0.114434169278997 0.11302961323677 0.3225 0.6815 3221319 PK04_130171 COc1cc2c[n+](Cc3sc4ccccc4c3Cl)ccc2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I14 compound treatment -0.312 0.21 0.19 0.016 0.549 0.52 0.157 0.625434169278997 0.617757639209257 0.7661 0.9224 3080208 PK04_130172 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I15 compound treatment -0.797 -0.275 -0.24 -0.556 -0.023 -0.02 -0.429 0.039434169278997 0.0389501573699668 -0.1303 -0.5278 3221320 PK04_130173 COc1cc2c[n+](Cc3ccc(o3)[N+](=O)[O-])ccc2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I16 compound treatment -1.493 -0.971 -0.86 -1.346 -0.813 -0.77 -1.019 -0.550565830721003 -0.543808228782219 -1.2565 -0.9836 3080223 PK04_130174 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I17 compound treatment -1.095 -0.573 -0.51 -0.743 -0.21 -0.2 -0.458 0.010434169278997 0.0103061011014695 -0.4018 -0.7381 3221321 PK04_130175 COc1cc2c[n+](Cc3cccc(OC(F)(F)F)c3)ccc2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I18 compound treatment -1.549 -1.03 -0.91 -1.011 -0.478 -0.46 -1.647 -1.178565830721 -1.16410020590692 -1.459 -0.9445 3080282 PK04_130176 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I19 compound treatment -0.933 -0.411 -0.36 -1.28 -0.747 -0.71 -1.2 -0.731565830721003 -0.722586648940771 -1.0376 -0.9633 3221322 PK04_130177 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3cccs3)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I20 compound treatment 0.026 0.548 0.48 0.247 0.78 0.74 -0.077 0.391434169278997 0.38662973690483 0.9322 0.9631 3211594 PK04_130178 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I21 mock treatment -0.985 -0.463 -0.41 -0.98 -0.447 -0.43 -0.544 -0.075565830721003 -0.0746383416257983 -0.525 -0.8823 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I22 mock treatment 0.045 0.567 0.5 -0.656 -0.123 -0.12 -0.561 -0.0925658307210031 -0.0914296849556071 0.1692 0.3234 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I23 compound treatment -1.081 -0.559 -0.49 -1.385 -0.852 -0.81 -1.609 -1.140565830721 -1.12656661493441 -1.4041 -0.9528 3221324 PK04_130179 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4cccs4)CCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 I24 compound treatment -1.941 -1.42 -1.25 -1.877 -1.34 -1.28 -1.952 -1.483565830721 -1.46535665976525 -2.3093 -0.9975 3211811 PK04_130180 CSc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J01 compound treatment 5.648 6.17 1.74 5.974 6.51 1.89 5.259 5.727434169279 1.91082182154668 3.1987 0.9992 3176788 PK04_130181 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J02 compound treatment -1.147 -0.625 -0.55 -0.87 -0.337 -0.32 -1.0 -0.531565830721003 -0.525041433295962 -0.8073 -0.9764 3221326 PK04_130182 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCOC5=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J03 compound treatment 0.011 0.533 0.47 0.429 0.962 0.92 -0.147 0.321434169278997 0.317488911429147 0.9847 0.913 3176789 PK04_130183 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J04 compound treatment -0.78 -0.258 -0.23 -0.626 -0.093 -0.09 -0.88 -0.411565830721003 -0.406514303909077 -0.4173 -0.8798 3221328 PK04_130184 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N(C=O)c4ccccc4)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J05 mock treatment -1.474 -0.952 -0.84 -1.278 -0.745 -0.71 -1.242 -0.773565830721003 -0.764071144226181 -1.3366 -0.9976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J06 mock treatment -0.227 0.295 0.26 -0.484 0.049 0.05 -0.293 0.175434169278997 0.173280904008437 0.2778 0.8767 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J07 compound treatment -0.035 0.487 0.43 0.108 0.641 0.61 -0.613 -0.144565830721003 -0.142791441023257 0.519 0.682 3052827 PK04_130185 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J08 compound treatment -0.809 -0.287 -0.25 -1.391 -0.858 -0.82 -1.562 -1.093565830721 -1.08014348925788 -1.2418 -0.9011 3221330 PK04_130186 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4CCOC4=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J09 compound treatment -0.212 0.31 0.27 0.091 0.624 0.59 0.175 0.643434169278997 0.635536708617289 0.8686 0.9519 3052794 PK04_130187 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J10 compound treatment -1.037 -0.515 -0.45 -1.164 -0.631 -0.6 -1.063 -0.594565830721003 -0.587268176224077 -0.9487 -0.9928 3221332 PK04_130188 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5cccc6cccc4c56)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J11 compound treatment -0.194 0.328 0.29 0.017 0.55 0.52 -0.192 0.276434169278997 0.273041237909065 0.6278 0.9536 3176437 PK04_130189 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J12 compound treatment 0.202 0.724 0.64 -0.132 0.401 0.38 0.009 0.477434169278997 0.471574179632098 0.8626 0.9776 3221334 PK04_130190 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCOC4=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J13 compound treatment -0.877 -0.355 -0.31 -0.965 -0.432 -0.41 -0.776 -0.307565830721003 -0.303790791773777 -0.594 -0.9901 3176038 PK04_130191 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J14 compound treatment -1.303 -0.781 -0.69 -1.097 -0.564 -0.54 -1.182 -0.713565830721003 -0.704807579532738 -1.1155 -0.9932 3221335 PK04_130192 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCC4=O)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J15 compound treatment -0.831 -0.309 -0.27 -0.583 -0.05 -0.05 -0.675 -0.206565830721003 -0.204030457873148 -0.3028 -0.8802 3052796 PK04_130193 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J16 compound treatment -1.687 -1.16 -1.03 -0.854 -0.321 -0.31 -1.591 -1.122565830721 -1.10878754552637 -1.4111 -0.9141 3221337 PK04_130194 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCCCC5=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J17 compound treatment -0.193 0.329 0.29 -0.066 0.467 0.44 -0.441 0.027434169278997 0.0270974444312783 0.4407 0.8276 3176331 PK04_130195 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J18 compound treatment -1.038 -0.516 -0.46 -1.033 -0.5 -0.48 -0.857 -0.388565830721003 -0.383796604109924 -0.7597 -0.9959 3221339 PK04_130196 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCC5=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J19 compound treatment 1.448 1.97 1.44 1.469 2.0 1.56 1.066 1.534434169279 1.46911902838946 2.5773 0.9994 3176671 PK04_130197 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J20 compound treatment -0.423 0.0994 0.09 -0.792 -0.259 -0.25 -0.741 -0.272565830721003 -0.269220379035935 -0.2471 -0.6579 3221341 PK04_130198 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4C(=O)c5ccccc5Oc6ccccc46)c7ccccc72)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J21 mock treatment -2.0 -1.48 -1.31 -1.231 -0.698 -0.66 -1.344 -0.875565830721003 -0.864819204205034 -1.6374 -0.9621 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J22 mock treatment -0.315 0.207 0.18 -0.408 0.125 0.12 -0.431 0.037434169278997 0.0369747052135187 0.196 0.8837 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J23 compound treatment -0.081 0.441 0.39 0.291 0.824 0.79 0.205 0.673434169278997 0.665168490964011 1.0626 0.9656 3176271 PK04_130199 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 J24 compound treatment 0.5 1.02 0.9 0.507 1.04 0.99 0.459 0.927434169278997 0.916050914832918 1.6228 0.9992 3221343 PK04_130200 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5ccccc5Oc6ccccc46)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K01 compound treatment -1.095 -0.573 -0.51 -1.371 -0.838 -0.8 -0.854 -0.385565830721003 -0.380833425875252 -0.973 -0.9548 3221345 PK04_130201 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3cccs3)c4ccc(CO)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K02 compound treatment -0.309 0.213 0.19 -0.779 -0.246 -0.23 -0.642 -0.173565830721003 -0.171435497291755 -0.1253 -0.3619 3211905 PK04_130202 C[C@H](CCO)[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K03 compound treatment 0.753 1.28 1.13 0.5 1.03 0.98 0.963 1.431434169279 1.41386485825784 2.0355 0.9886 3221347 PK04_130203 COc1ccc(CN2CCc3cc(OC)c(O)cc3C2C#Cc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K04 compound treatment -1.05 -0.528 -0.47 -0.949 -0.416 -0.4 -1.083 -0.614565830721003 -0.607022697788558 -0.8485 -0.9844 3211691 PK04_130204 CSc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K05 compound treatment 1.016 1.54 1.35 0.581 1.11 1.06 0.469 0.937434169278997 0.925928175615158 1.9266 0.9876 3221348 PK04_130205 COc1cc2CCN(C)C(C#Cc3ccccc3)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K06 compound treatment -1.407 -0.885 -0.78 -1.354 -0.821 -0.78 -0.108 0.360434169278997 0.356010228479885 -0.6975 -0.6003 3211813 PK04_130206 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K07 mock treatment 0.264 0.786 0.7 -0.418 0.115 0.11 -0.043 0.425434169278997 0.420212423564448 0.7073 0.8628 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K08 mock treatment -0.309 0.213 0.19 -0.445 0.088 0.08 -0.058 0.410434169278997 0.405396532391087 0.3914 0.8604 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K09 compound treatment -0.439 0.0834 0.07 -0.403 0.13 0.12 -0.311 0.157434169278997 0.155501834600404 0.2039 0.9615 3221349 PK04_130207 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C#Cc4ccccc4)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K10 compound treatment 0.544 1.07 0.94 0.703 1.24 1.18 0.393 0.861434169278997 0.850860993670131 1.7154 0.9905 3211817 PK04_130208 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K11 compound treatment 0.885 1.41 1.24 0.927 1.46 1.39 0.773 1.241434169279 1.22619690339527 2.2294 0.9984 3221350 PK04_130209 COCC#CC1N(Cc2ccc(OC)cc2)CCc3cc(OC)c(O)cc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K12 compound treatment -0.03 0.492 0.44 -0.677 -0.144 -0.14 -0.761 -0.292565830721003 -0.288974900600416 0.0053 0.0099 3080279 PK04_130210 C[C@@H](CCO)[C@@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K13 compound treatment 1.402 1.92 1.43 0.605 1.14 1.08 0.446 0.914434169278997 0.903210475816005 1.9718 0.9822 3221351 PK04_130211 COCC#CC1N(C)CCc2cc(OC)c(O)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K14 compound treatment -0.506 0.0164 0.01 -0.5 0.033 0.03 -0.08 0.388434169278997 0.383666558670158 0.2481 0.644 3080188 PK04_130212 CO[C@H](CCO)[C@H](O)c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K15 mock treatment -0.253 0.269 0.24 -0.275 0.258 0.25 -0.169 0.299434169278997 0.295758937708218 0.4502 0.9952 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K16 mock treatment -0.59 -0.0676 -0.06 -0.369 0.164 0.16 -0.583 -0.114565830721003 -0.113159658676536 -0.0096 -0.0475 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K17 compound treatment 2.743 3.27 1.59 1.358 1.89 1.54 1.258 1.726434169279 1.51813183506529 2.6821 0.9998 3221353 PK04_130213 COCC#CC1N(Cc2ccc(o2)[N+](=O)[O-])CCc3cc(OC)c(O)cc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K18 compound treatment -1.192 -0.67 -0.59 -0.835 -0.302 -0.29 -0.406 0.062434169278997 0.0616678571691198 -0.4722 -0.7144 3080221 PK04_130214 CO[C@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K19 compound treatment 0.803 1.33 1.17 -0.042 0.491 0.47 0.459 0.927434169278997 0.916050914832918 1.4755 0.9463 3221354 PK04_130215 COc1ccc(CN2CCc3cc(OC)c(O)cc3C2C#C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K20 compound treatment -0.375 0.147 0.13 -1.126 -0.593 -0.56 -0.059 0.409434169278997 0.404408806312863 -0.0174 -0.0246 3211696 PK04_130216 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K21 compound treatment 0.248 0.77 0.68 0.986 1.52 1.45 0.714 1.182434169279 1.16792106478005 1.9031 0.9609 3221356 PK04_130217 COc1cc2CCN(C)C(C#C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K22 compound treatment -1.213 -0.691 -0.61 -1.397 -0.864 -0.82 -1.16 -0.691565830721003 -0.683077605811809 -1.222 -0.9923 3211816 PK04_130218 COc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K23 mock treatment 0.449 0.971 0.86 0.179 0.712 0.68 0.054 0.522434169278997 0.51602185315218 1.1854 0.9797 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 K24 mock treatment -0.395 0.127 0.11 -0.959 -0.426 -0.41 -0.955 -0.486565830721003 -0.48059375977588 -0.4467 -0.6991 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L01 compound treatment 7.205 7.73 1.78 4.783 5.32 1.84 5.66 6.128434169279 1.92751456411121 3.2076 0.9995 3176382 PK04_130219 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L02 compound treatment -1.1 -0.578 -0.51 -1.918 -1.38 -1.32 -1.486 -1.017565830721 -1.00507630731285 -1.6368 -0.9432 3221357 PK04_130220 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCCCC4=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L03 compound treatment 6.731 7.25 1.77 2.439 2.97 1.69 6.222 6.690434169279 1.94841865079768 3.123 0.9982 3176383 PK04_130221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L04 compound treatment -0.5 0.0224 0.02 -0.574 -0.041 -0.04 -0.261 0.207434169278997 0.204888138511606 0.1072 0.5118 3221359 PK04_130222 C[C@H](O)C(=O)Nc1ccc2N(CC=C)C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L05 compound treatment 0.833 1.36 1.2 -0.095 0.438 0.42 0.177 0.645434169278997 0.637512160773738 1.3009 0.9161 3052642 PK04_130223 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L06 compound treatment -1.394 -0.872 -0.77 -1.368 -0.835 -0.8 -0.779 -0.310565830721003 -0.306753970008449 -1.0812 -0.9409 3221361 PK04_130224 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4CCC4=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L07 mock treatment -1.182 -0.66 -0.58 -0.852 -0.319 -0.3 0.325 0.793434169278997 0.783695620350896 -0.0596 -0.0583 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L08 mock treatment -0.138 0.384 0.34 -0.553 -0.02 -0.02 -0.353 0.115434169278997 0.114017339314994 0.2511 0.6994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L09 compound treatment 0.052 0.574 0.51 -0.268 0.265 0.25 -0.25 0.218434169278997 0.215753125372071 0.5636 0.9287 3176673 PK04_130225 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L10 compound treatment -1.23 -0.708 -0.63 -1.943 -1.41 -1.34 -1.288 -0.819565830721003 -0.809506543824487 -1.604 -0.95 3221363 PK04_130226 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)c5ccccc35)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L11 compound treatment -0.326 0.196 0.17 -0.138 0.395 0.38 -0.227 0.241434169278997 0.238470825171224 0.4552 0.952 3052529 PK04_130227 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L12 compound treatment -1.494 -0.972 -0.86 -1.429 -0.896 -0.85 -1.268 -0.799565830721003 -0.789752022260006 -1.4447 -0.9993 3221365 PK04_130228 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N(C=O)c4ccccc4)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L13 compound treatment 0.895 1.42 1.25 1.804 2.34 1.61 0.396 0.864434169278997 0.853824171904803 2.1473 0.9702 3052693 PK04_130229 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L14 compound treatment -0.914 -0.392 -0.35 -1.743 -1.21 -1.15 -1.103 -0.634565830721003 -0.626777219353039 -1.2272 -0.9044 3221366 PK04_130230 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L15 mock treatment -1.429 -0.907 -0.8 -1.707 -1.17 -1.12 -1.405 -0.936565830721003 -0.9250704949767 -1.6425 -0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L16 mock treatment -0.162 0.36 0.32 -0.125 0.408 0.39 -0.094 0.374434169278997 0.369838393575022 0.6219 0.9966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L17 compound treatment 0.617 1.14 1.01 0.613 1.15 1.09 1.132 1.600434169279 1.48682346157057 2.0704 0.9851 3176205 PK04_130231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L18 compound treatment -0.886 -0.364 -0.32 -1.047 -0.514 -0.49 -0.644 -0.175565830721003 -0.173410949448203 -0.5684 -0.9305 3221368 PK04_130232 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCOC4=O)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L19 compound treatment 1.326 1.85 1.41 0.432 0.965 0.92 0.269 0.737434169278997 0.72838295997035 1.7678 0.9622 3176125 PK04_130233 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L20 compound treatment -0.673 -0.151 -0.13 -1.158 -0.625 -0.6 -0.88 -0.411565830721003 -0.406514303909077 -0.6553 -0.8939 3221370 PK04_130234 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)F)c3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L21 compound treatment 0.4 0.922 0.82 0.42 0.953 0.91 0.265 0.733434169278997 0.724432055657453 1.4133 0.9958 3052877 PK04_130235 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L22 compound treatment -0.871 -0.349 -0.31 -1.132 -0.599 -0.57 -0.387 0.081434169278997 0.0804346526553766 -0.4609 -0.7053 3221372 PK04_130236 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(NC(=O)C)cc32)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L23 mock treatment -1.202 -0.68 -0.6 -1.448 -0.915 -0.87 -1.115 -0.646565830721003 -0.638629932291727 -1.2188 -0.9858 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 L24 mock treatment -0.312 0.21 0.19 -0.307 0.226 0.22 0.813 1.281434169279 1.26570594652423 0.9625 0.7419 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M01 compound treatment 0.563 1.09 0.96 0.539 1.07 1.02 1.028 1.496434169279 1.4584760078165 1.9857 0.9818 3221374 PK04_130237 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C#C)c2cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M02 compound treatment -0.877 -0.355 -0.31 -0.712 -0.179 -0.17 -0.26 0.208434169278997 0.20587586458983 -0.1605 -0.3897 3211810 PK04_130238 C[C@@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M03 compound treatment -1.44 -0.918 -0.81 -0.797 -0.264 -0.25 -0.8 -0.331565830721003 -0.327496217651154 -0.8026 -0.8818 3221375 PK04_130239 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M04 compound treatment -1.343 -0.821 -0.73 -1.161 -0.628 -0.6 -0.98 -0.511565830721003 -0.505286911731481 -1.0559 -0.9892 3080224 PK04_130240 COc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M05 compound treatment -0.985 -0.463 -0.41 -0.967 -0.434 -0.41 -0.429 0.039434169278997 0.0389501573699668 -0.4523 -0.7761 3221376 PK04_130241 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M06 compound treatment -1.534 -1.01 -0.89 -0.843 -0.31 -0.3 -1.2 -0.731565830721003 -0.722586648940771 -1.104 -0.93 3211820 PK04_130242 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M07 compound treatment -0.816 -0.294 -0.26 -1.048 -0.515 -0.49 -1.0 -0.531565830721003 -0.525041433295962 -0.7362 -0.9636 3221377 PK04_130243 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M08 compound treatment -0.696 -0.174 -0.15 -0.476 0.057 0.05 -0.532 -0.063565830721003 -0.0627856286871098 -0.0935 -0.5357 3211694 PK04_130244 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M09 mock treatment -1.066 -0.544 -0.48 -0.891 -0.358 -0.34 -0.891 -0.422565830721003 -0.417379290769542 -0.7153 -0.9906 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M10 mock treatment -1.067 -0.545 -0.48 -0.934 -0.401 -0.38 -0.773 -0.304565830721003 -0.300827613539104 -0.6722 -0.9824 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M11 compound treatment -0.739 -0.217 -0.19 -0.816 -0.283 -0.27 -0.635 -0.166565830721003 -0.164521414744186 -0.3612 -0.9779 3221378 PK04_130245 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M12 compound treatment -0.429 0.0934 0.08 -0.587 -0.054 -0.05 -0.547 -0.078565830721003 -0.0776015198604705 -0.0268 -0.2152 3080189 PK04_130246 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M13 mock treatment -0.765 -0.243 -0.21 -0.493 0.04 0.04 -0.385 0.083434169278997 0.0824101048118247 -0.0542 -0.2327 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M14 mock treatment -0.463 0.0594 0.05 -0.369 0.164 0.16 -0.221 0.247434169278997 0.244397181640568 0.2617 0.8876 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M15 compound treatment -0.561 -0.0386 -0.03 -0.5 0.033 0.03 -0.483 -0.014565830721003 -0.0143870508541316 -0.0098 -0.2019 3221379 PK04_130247 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M16 compound treatment -0.922 -0.4 -0.35 -0.803 -0.27 -0.26 -0.491 -0.022565830721003 -0.0222888594799239 -0.3653 -0.8349 3211679 PK04_130248 CO[C@@H](CCO)[C@@H](O)c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M17 compound treatment -0.871 -0.349 -0.31 -1.207 -0.674 -0.64 -0.679 -0.210565830721003 -0.207981362186044 -0.6687 -0.9013 3221380 PK04_130249 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M18 compound treatment -1.705 -1.18 -1.05 -0.987 -0.454 -0.43 -1.333 -0.864565830721003 -0.853954217344569 -1.3463 -0.9498 3211808 PK04_130250 C[C@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M19 mock treatment -0.388 0.134 0.12 -0.522 0.011 0.01 -0.622 -0.153565830721003 -0.151680975727274 -0.0129 -0.0667 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M20 compound treatment -0.439 0.0834 0.07 -0.725 -0.192 -0.18 -0.205 0.263434169278997 0.260200798892153 0.0872 0.2672 3080271 PK04_130251 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M21 mock treatment -0.957 -0.435 -0.38 -0.81 -0.277 -0.26 -0.765 -0.296565830721003 -0.292925804913312 -0.5433 -0.9869 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M22 compound treatment -0.638 -0.116 -0.1 -0.403 0.13 0.12 -0.14 0.328434169278997 0.324402993976716 0.1998 0.5521 3211910 PK04_130252 C[C@@H](CCO)[C@H](O)c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M23 mock treatment -0.839 -0.317 -0.28 -0.567 -0.034 -0.03 -0.377 0.091434169278997 0.0903119134376171 -0.1281 -0.433 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 M24 compound treatment -0.234 0.288 0.26 -0.158 0.375 0.36 -0.258 0.210434169278997 0.207851316746278 0.4735 0.9749 3211692 PK04_130253 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N01 compound treatment 6.608 7.13 1.77 3.942 4.48 1.8 6.768 7.236434169279 1.96643141374769 3.197 0.9989 3176433 PK04_130254 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N02 compound treatment -1.802 -1.28 -1.13 -1.596 -1.06 -1.01 -1.422 -0.953565830721003 -0.941861838306509 -1.7816 -0.9971 3221382 PK04_130255 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCCCC5=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N03 compound treatment -0.186 0.336 0.3 0.11 0.643 0.61 -0.137 0.331434169278997 0.327366172211388 0.7144 0.9455 3175967 PK04_130256 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N04 compound treatment -0.735 -0.213 -0.19 -0.444 0.089 0.08 -0.988 -0.519565830721003 -0.513188720357274 -0.3558 -0.6433 3221383 PK04_130257 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5C(=O)c6ccccc6Oc7ccccc57)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N05 compound treatment 0.03 0.552 0.49 0.364 0.897 0.85 0.185 0.653434169278997 0.64541396939953 1.148 0.9753 3052653 PK04_130258 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N06 compound treatment -0.905 -0.383 -0.34 -1.254 -0.721 -0.69 -1.089 -0.620565830721003 -0.612949054257902 -0.9457 -0.9643 3221385 PK04_130259 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5cccc6cccc4c56)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N07 compound treatment -0.345 0.177 0.16 0.068 0.601 0.57 -0.284 0.184434169278997 0.182170438712453 0.5263 0.8475 3052758 PK04_130260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N08 compound treatment -0.984 -0.462 -0.41 -0.924 -0.391 -0.37 -0.962 -0.493565830721003 -0.487507842323449 -0.7321 -0.9936 3221386 PK04_130261 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccc(cc3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N09 mock treatment -1.515 -0.993 -0.88 -0.81 -0.277 -0.26 -1.015 -0.546565830721003 -0.539857324469323 -0.9706 -0.9127 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N10 mock treatment -0.333 0.189 0.17 -0.448 0.085 0.08 0.027 0.495434169278997 0.489353249040131 0.426 0.8137 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N11 compound treatment -0.354 0.168 0.15 -0.492 0.041 0.04 -0.358 0.110434169278997 0.109078708923874 0.1715 0.9091 3176332 PK04_130262 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N12 compound treatment 0.021 0.543 0.48 -0.429 0.104 0.1 -0.321 0.147434169278997 0.145624573818164 0.4187 0.8182 3221388 PK04_130263 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N13 mock treatment -0.257 0.265 0.23 -0.497 0.036 0.03 -0.037 0.431434169278997 0.426138780033792 0.4014 0.823 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N14 mock treatment -0.333 0.189 0.17 -0.629 -0.096 -0.09 -0.55 -0.081565830721003 -0.0805646980951426 -0.0026 -0.0125 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N15 compound treatment 0.812 1.33 1.18 0.459 0.992 0.95 0.279 0.747434169278997 0.73826022075259 1.653 0.9826 3176440 PK04_130264 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N16 compound treatment -0.408 0.114 0.1 -0.659 -0.126 -0.12 -0.836 -0.367565830721003 -0.363054356467219 -0.2205 -0.5574 3221389 PK04_130265 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N4C(=O)c5cccc6cccc4c56)c7ccccc72)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N17 compound treatment 1.419 1.94 1.43 1.219 1.75 1.51 1.261 1.729434169279 1.5188406157119 2.5753 0.9996 3174818 PK04_130266 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N18 compound treatment -0.625 -0.103 -0.09 -1.062 -0.529 -0.5 -0.673 -0.204565830721003 -0.2020550057167 -0.4599 -0.8356 3221391 PK04_130267 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCOC5=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N19 compound treatment 0.189 0.711 0.63 -0.151 0.382 0.36 0.303 0.771434169278997 0.761965646629967 1.0132 0.9623 3052539 PK04_130268 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N20 compound treatment -1.672 -1.15 -1.02 -1.4 -0.867 -0.83 -1.373 -0.904565830721003 -0.893463260473531 -1.5794 -0.9963 3221392 PK04_130269 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N(C=O)c5ccccc5)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N21 compound treatment 0.543 1.07 0.94 0.381 0.914 0.87 0.361 0.829434169278997 0.819253759166962 1.5196 0.9984 3052582 PK04_130270 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N22 compound treatment -0.754 -0.232 -0.2 -0.97 -0.437 -0.42 -0.933 -0.464565830721003 -0.458863786054951 -0.6234 -0.9555 3221394 PK04_130271 C[C@H](O)C(=O)Nc1ccc(CN2C(=O)[C@@]3(O[C@@H](CCO)[C@@H]([C@H]3C)[Si](C)(C)F)c4ccccc24)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N23 compound treatment 0.657 1.18 1.04 0.581 1.11 1.06 0.486 0.954434169278997 0.942719518944967 1.7591 0.9987 3052791 PK04_130272 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 N24 compound treatment -0.065 0.457 0.4 -0.487 0.046 0.04 -0.347 0.121434169278997 0.119943695784338 0.3281 0.7735 3221396 PK04_130273 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(NC(=O)C)c3)c4ccccc42)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O01 mock treatment -0.382 0.14 0.12 -0.764 -0.231 -0.22 1.112 1.580434169279 1.48155927371949 0.8 0.5323 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O02 compound treatment 0.011 0.533 0.47 -0.311 0.222 0.21 -0.356 0.112434169278997 0.111054161080322 0.4585 0.8673 3211913 PK04_130274 CSc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O03 mock treatment -0.859 -0.337 -0.3 -0.652 -0.119 -0.11 -0.587 -0.118565830721003 -0.117110562989432 -0.3048 -0.8985 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O04 mock treatment -1.261 -0.739 -0.65 -1.098 -0.565 -0.54 -1.362 -0.893565830721003 -0.882598273613066 -1.1973 -0.9792 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O05 mock treatment -0.143 0.379 0.34 0.097 0.63 0.6 0.453 0.921434169278997 0.910124558363574 1.0657 0.9343 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O06 mock treatment -1.353 -0.831 -0.73 -0.964 -0.431 -0.41 -0.385 0.083434169278997 0.0824101048118247 -0.6134 -0.7257 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O07 mock treatment 0.27 0.792 0.7 0.209 0.742 0.71 0.059 0.527434169278997 0.5209604835433 1.1134 0.9911 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O08 mock treatment 0.162 0.684 0.61 1.0 1.53 1.46 0.366 0.834434169278997 0.824192389558082 1.6684 0.9358 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O09 mock treatment -0.467 0.0554 0.05 -0.466 0.067 0.06 -0.482 -0.013565830721003 -0.0133993247759075 0.0574 0.7038 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O10 mock treatment -0.717 -0.195 -0.17 -0.819 -0.286 -0.27 -0.683 -0.214565830721003 -0.21193226649894 -0.3789 -0.9827 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O11 mock treatment -0.147 0.375 0.33 -0.493 0.04 0.04 -0.632 -0.163565830721003 -0.161558236509514 0.1204 0.3244 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O12 mock treatment -0.94 -0.418 -0.37 -1.171 -0.638 -0.61 -1.186 -0.717565830721003 -0.708758483845634 -0.9732 -0.9694 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O13 mock treatment -0.767 -0.245 -0.22 -0.829 -0.296 -0.28 -0.762 -0.293565830721003 -0.28996262667864 -0.455 -0.9922 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O14 mock treatment -0.438 0.0844 0.07 -0.629 -0.096 -0.09 -0.57 -0.101565830721003 -0.100319219659623 -0.0676 -0.4364 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O15 mock treatment -0.617 -0.0946 -0.08 -0.391 0.142 0.14 -0.62 -0.151565830721003 -0.149705523570826 -0.0566 -0.259 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O16 mock treatment -0.571 -0.0486 -0.04 -0.489 0.044 0.04 -0.672 -0.203565830721003 -0.201067279638476 -0.1166 -0.5559 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O17 mock treatment -0.422 0.1 0.09 0.107 0.64 0.61 0.237 0.705434169278997 0.69677572546718 0.8056 0.8661 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O18 mock treatment -1.451 -0.929 -0.82 -1.012 -0.479 -0.46 -0.326 0.142434169278997 0.140685943427043 -0.6562 -0.6909 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O19 mock treatment -0.323 0.199 0.18 -0.478 0.055 0.05 -0.174 0.294434169278997 0.290820307317098 0.3 0.8717 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O20 mock treatment -0.16 0.362 0.32 -0.391 0.142 0.14 -0.219 0.249434169278997 0.246372633797016 0.4054 0.951 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O21 mock treatment -0.364 0.158 0.14 -0.754 -0.221 -0.21 -0.397 0.071434169278997 0.0705573918731362 1.0E-4 3.0E-4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O22 mock treatment -0.734 -0.212 -0.19 -0.764 -0.231 -0.22 -0.329 0.139434169278997 0.137722765192371 -0.1555 -0.486 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O23 mock treatment -0.624 -0.102 -0.09 -0.732 -0.199 -0.19 -0.548 -0.079565830721003 -0.0785892459386945 -0.2066 -0.9226 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 O24 mock treatment -0.912 -0.39 -0.34 -1.0 -0.467 -0.44 -0.932 -0.463565830721003 -0.457876059976727 -0.72 -0.9926 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P01 compound treatment 8.513 9.04 1.81 10.406 10.9 1.99 4.343 4.811434169279 1.86542297265249 3.2722 0.9992 3175838 PK04_130275 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P02 compound treatment -0.643 -0.121 -0.11 -1.603 -1.07 -1.02 -0.941 -0.472565830721003 -0.466765594680744 -0.9195 -0.8165 3221398 PK04_130276 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccc(cc3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P03 compound treatment -1.099 -0.577 -0.51 -1.585 -1.05 -1.0 -1.238 -0.769565830721003 -0.760120239913285 -1.3117 -0.9665 3052740 PK04_130277 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P04 compound treatment -1.037 -0.515 -0.45 -1.208 -0.675 -0.64 -1.119 -0.650565830721003 -0.642580836604624 -1.0049 -0.9885 3221399 PK04_130278 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(NC(=O)C)c3)c4ccccc42)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P05 compound treatment 0.126 0.648 0.57 -0.849 -0.316 -0.3 -0.464 0.00443416927899698 0.00437974463212522 0.1597 0.2467 3176784 PK04_130279 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P06 compound treatment 1.178 1.7 1.39 -0.612 -0.079 -0.08 -0.209 0.259434169278997 0.256249894579256 0.9044 0.641 3221400 PK04_130280 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5C(=O)c6ccccc6Oc7ccccc57)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P07 compound treatment 1.663 2.19 1.47 -0.511 0.022 0.02 0.009 0.477434169278997 0.471574179632098 1.1329 0.7339 3052752 PK04_130281 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P08 compound treatment -0.931 -0.409 -0.36 -0.295 0.238 0.23 -0.417 0.051434169278997 0.0508028703086553 -0.0483 -0.1124 3221401 PK04_130282 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCC5=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P09 compound treatment 0.026 0.548 0.48 -0.128 0.405 0.39 -0.054 0.414434169278997 0.409347436703983 0.7391 0.9951 3052788 PK04_130283 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P10 compound treatment -1.023 -0.501 -0.44 -1.0 -0.467 -0.44 -0.727 -0.258565830721003 -0.255392213940798 -0.6598 -0.9739 3221402 PK04_130284 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P11 mock treatment -2.041 -1.52 -1.34 -1.218 -0.685 -0.65 -0.098 0.370434169278997 0.365887489262125 -0.9406 -0.612 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P12 mock treatment -0.402 0.12 0.11 -0.056 0.477 0.45 -0.393 0.075434169278997 0.0745082961860324 0.3669 0.7762 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P13 compound treatment 4.119 4.64 1.68 2.933 3.47 1.73 1.699 2.167434169279 1.60761829349111 2.8976 0.9995 3052846 PK04_130285 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P14 compound treatment -0.624 -0.102 -0.09 -0.067 0.466 0.44 -0.961 -0.492565830721003 -0.486520116245225 -0.0764 -0.1149 3221404 PK04_130286 C[C@H](O)C(=O)Nc1cccc(CN2C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c4ccccc24)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P15 compound treatment -0.616 -0.0936 -0.08 -0.45 0.083 0.08 -0.65 -0.181565830721003 -0.179337305917547 -0.1056 -0.4964 3052836 PK04_130287 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P16 compound treatment -0.552 -0.0296 -0.03 -0.57 -0.037 -0.04 -0.315 0.153434169278997 0.151550930287508 0.0521 0.3302 3221406 PK04_130288 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P17 compound treatment -0.111 0.411 0.36 0.947 1.48 1.41 0.103 0.571434169278997 0.564420430985158 1.3499 0.8644 3176730 PK04_130289 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P18 compound treatment -0.622 -0.0996 -0.09 -0.902 -0.369 -0.35 -0.102 0.366434169278997 0.361936584949229 -0.0448 -0.0874 3221407 PK04_130290 C[C@H](O)C(=O)Nc1ccc(CN2C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c4ccccc24)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P19 compound treatment -0.108 0.414 0.37 -0.066 0.467 0.44 0.097 0.565434169278997 0.558494074515814 0.7909 0.9854 3052799 PK04_130291 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P20 compound treatment -1.186 -0.664 -0.59 -0.993 -0.46 -0.44 -0.228 0.240434169278997 0.237483099093 -0.4546 -0.5905 3221408 PK04_130292 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)c5ccccc35)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P21 compound treatment 0.171 0.693 0.61 -0.322 0.211 0.2 0.211 0.679434169278997 0.671094847433355 0.8575 0.9211 3176730 PK04_130293 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P22 compound treatment -0.92 -0.398 -0.35 -1.092 -0.559 -0.53 -0.474 -0.00556583072100297 -0.00549751615011517 -0.5135 -0.8048 3221410 PK04_130294 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCC4=O)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P23 compound treatment -0.766 -0.244 -0.22 -0.511 0.022 0.02 -0.052 0.416434169278997 0.411322888860431 0.1253 0.2696 3176786 PK04_130295 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2130 P24 compound treatment -0.658 -0.136 -0.12 -1.112 -0.579 -0.55 -1.09 -0.621565830721003 -0.613936780336126 -0.7421 -0.8898 3221411 PK04_130296 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4C(=O)COc5ccccc45)c6ccccc62)[Si](C)(C)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A01 compound treatment -0.338 0.184 0.16 -0.676 -0.143 -0.14 -0.911 -0.442565830721003 -0.437133812334022 -0.2369 -0.4873 3213058 Ald1-H_000001 NNC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A02 compound treatment -1.278 -0.756 -0.67 -1.244 -0.711 -0.68 -1.69 -1.221565830721 -1.20657242727055 -1.4733 -0.9589 3213059 Ald1-H_000002 NNC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A03 compound treatment -2.037 -1.51 -1.34 -1.455 -0.922 -0.88 -1.446 -0.977565830721003 -0.965567264183886 -1.8376 -0.9827 3213060 Ald1-H_000003 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A04 compound treatment -0.714 -0.192 -0.17 -0.619 -0.086 -0.08 -0.35 0.118434169278997 0.116980517549666 -0.0775 -0.3499 3213062 Ald1-H_000004 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A05 compound treatment -1.01 -0.488 -0.43 -1.186 -0.653 -0.62 -0.833 -0.364565830721003 -0.360091178232547 -0.8159 -0.9735 3213064 Ald1-H_000005 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A06 compound treatment -1.213 -0.691 -0.61 -0.781 -0.248 -0.24 -0.979 -0.510565830721003 -0.504299185653257 -0.78 -0.9439 3213066 Ald1-H_000006 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A07 compound treatment -0.698 -0.176 -0.16 -1.212 -0.679 -0.65 -0.978 -0.509565830721003 -0.503311459575033 -0.7536 -0.9035 3213068 Ald1-H_000007 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A08 compound treatment -0.982 -0.46 -0.41 -0.909 -0.376 -0.36 -0.61 -0.141565830721003 -0.139828262788585 -0.5221 -0.9333 3213070 Ald1-H_000008 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A09 compound treatment -0.97 -0.448 -0.4 -1.682 -1.15 -1.09 -1.019 -0.550565830721003 -0.543808228782219 -1.1744 -0.9141 3213072 Ald1-H_000009 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A10 compound treatment -0.745 -0.223 -0.2 -0.676 -0.143 -0.14 -0.553 -0.084565830721003 -0.0835278763298147 -0.2405 -0.9487 3213074 Ald1-H_000010 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3OCCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A11 compound treatment -2.947 -2.42 -2.14 -2.458 -1.92 -1.83 -2.968 -2.499565830721 -2.46888635524088 -3.7217 -0.9928 3213076 Ald1-H_000011 ONC(=O)CCCCCCC(=O)N/N=C/COCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A12 compound treatment -0.864 -0.342 -0.3 -1.432 -0.899 -0.86 -1.723 -1.254565830721 -1.23916738785195 -1.3842 -0.901 3213078 Ald1-H_000012 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A13 mock treatment -0.2 0.322 0.29 -0.348 0.185 0.18 -0.1 0.368434169278997 0.363912037105677 0.4765 0.9631 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A14 mock treatment -0.443 0.0794 0.07 -0.468 0.065 0.06 -0.414 0.054434169278997 0.0537660485433275 0.1074 0.9942 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A15 compound treatment -1.833 -1.31 -1.16 -1.056 -0.523 -0.5 -1.517 -1.048565830721 -1.03569581573779 -1.5545 -0.9526 3213080 Ald1-H_000013 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A16 compound treatment -0.286 0.236 0.21 -0.333 0.2 0.19 -0.635 -0.166565830721003 -0.164521414744186 0.1357 0.4148 3213082 Ald1-H_000014 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A17 compound treatment -0.894 -0.372 -0.33 -1.3 -0.767 -0.73 -1.074 -0.605565830721003 -0.598133163084542 -0.9568 -0.9571 3213084 Ald1-H_000015 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A18 compound treatment -1.086 -0.564 -0.5 -1.058 -0.525 -0.5 -0.909 -0.440565830721003 -0.435158360177574 -0.8276 -0.998 3213086 Ald1-H_000016 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A19 compound treatment -1.187 -0.665 -0.59 -1.391 -0.858 -0.82 -1.213 -0.744565830721003 -0.735427087957684 -1.2357 -0.9912 3213088 Ald1-H_000017 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A20 compound treatment -2.169 -1.65 -1.46 -1.531 -0.998 -0.95 -1.405 -0.936565830721003 -0.9250704949767 -1.9234 -0.9766 3213090 Ald1-H_000018 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccc(Br)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A21 compound treatment -2.956 -2.43 -2.15 -2.544 -2.01 -1.92 -2.364 -1.895565830721 -1.87229980399356 -3.4292 -0.9981 3213092 Ald1-H_000019 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A22 compound treatment -0.87 -0.348 -0.31 -0.771 -0.238 -0.23 -0.61 -0.141565830721003 -0.139828262788585 -0.389 -0.9567 3213094 Ald1-H_000020 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A23 compound treatment -1.73 -1.21 -1.07 -1.384 -0.851 -0.81 -1.452 -0.983565830721003 -0.97149362065323 -1.6453 -0.9938 3213096 Ald1-H_000021 ONC(=O)CCCCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 A24 compound treatment -0.846 -0.324 -0.29 -1.027 -0.494 -0.47 -0.547 -0.078565830721003 -0.0776015198604705 -0.4816 -0.8661 3213098 Ald1-H_000022 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C(=C/c2ccccc2)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B01 compound treatment -0.699 -0.177 -0.16 -0.483 0.05 0.05 -1.081 -0.612565830721003 -0.60504724563211 -0.4119 -0.6573 3213100 Ald1-H_000023 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2c(O)ccc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B02 compound treatment -1.281 -0.759 -0.67 -1.531 -0.998 -0.95 -1.634 -1.165565830721 -1.15125976689001 -1.6008 -0.978 3213102 Ald1-H_000024 ONC(=O)CCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B03 compound treatment 0.192 0.714 0.63 0.128 0.661 0.63 -0.375 0.093434169278997 0.0922873655940652 0.7815 0.8716 3213104 Ald1-H_000025 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(O)c3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B04 compound treatment -1.52 -0.998 -0.88 -1.354 -0.821 -0.78 -2.086 -1.617565830721 -1.59771195424727 -1.8832 -0.9485 3213106 Ald1-H_000026 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B05 compound treatment -0.371 0.151 0.13 -0.526 0.00705 0.01 -0.391 0.077434169278997 0.0764837483424805 0.1253 0.8121 3213108 Ald1-H_000027 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B06 compound treatment -0.827 -0.305 -0.27 -1.507 -0.974 -0.93 -1.528 -1.059565830721 -1.04656080259826 -1.2954 -0.9095 3213110 Ald1-H_000028 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B07 compound treatment -0.519 0.00345 0.0 -0.407 0.126 0.12 -0.634 -0.165565830721003 -0.163533688665962 -0.0233 -0.115 3213112 Ald1-H_000029 Oc1ccc([N+](=O)[O-])c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B08 compound treatment -1.939 -1.42 -1.25 -1.134 -0.601 -0.57 -1.52 -1.051565830721 -1.03865899397247 -1.6533 -0.9585 3213114 Ald1-H_000030 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B09 compound treatment -0.5 0.0224 0.02 -0.369 0.164 0.16 -0.467 0.00143416927899698 0.00141656639745309 0.1025 0.6506 3213116 Ald1-H_000031 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)n3ccnc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B10 compound treatment -0.543 -0.0206 -0.02 -0.864 -0.331 -0.32 -0.316 0.152434169278997 0.150563204209284 -0.1056 -0.3018 3213118 Ald1-H_000032 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B11 compound treatment -0.474 0.0484 0.04 -0.525 0.00805 0.01 -0.434 0.034434169278997 0.0340115269788466 0.0488 0.8835 3213120 Ald1-H_000033 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2c[nH]c3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B12 compound treatment 0.433 0.955 0.84 0.064 0.597 0.57 0.368 0.836434169278997 0.82616784171453 1.2931 0.9861 3213122 Ald1-H_000034 ONC(=O)CCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B13 mock treatment -0.456 0.0664 0.06 -0.6 -0.067 -0.06 -0.581 -0.112565830721003 -0.111184206520088 -0.0671 -0.4759 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B14 mock treatment -0.566 -0.0436 -0.04 -0.476 0.057 0.05 -0.4 0.068434169278997 0.067594213638464 0.0482 0.5076 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B15 compound treatment -0.286 0.236 0.21 -0.341 0.192 0.18 -0.675 -0.206565830721003 -0.204030457873148 0.1085 0.3149 3213124 Ald1-H_000035 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(I)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B16 compound treatment -2.133 -1.61 -1.42 -1.949 -1.42 -1.35 -2.397 -1.928565830721 -1.90489476457495 -2.7007 -0.9877 3213126 Ald1-H_000036 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(I)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B17 compound treatment -1.15 -0.628 -0.55 -0.846 -0.313 -0.3 -1.109 -0.640565830721003 -0.632703575822383 -0.8577 -0.9608 3213128 Ald1-H_000037 C/C=C(/C)\C=N\NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B18 compound treatment -0.9 -0.378 -0.33 -1.043 -0.51 -0.49 -1.246 -0.777565830721003 -0.768022048539077 -0.9166 -0.9468 3213130 Ald1-H_000038 C/C=C(/C)\C=N\NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B19 compound treatment -1.052 -0.53 -0.47 -0.6 -0.067 -0.06 -0.629 -0.160565830721003 -0.158595058274842 -0.3987 -0.7999 3213132 Ald1-H_000039 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B20 compound treatment -1.193 -0.671 -0.59 -1.309 -0.776 -0.74 -1.44 -0.971565830721003 -0.959640907714542 -1.3231 -0.9811 3213134 Ald1-H_000040 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B21 compound treatment -0.159 0.363 0.32 0.067 0.6 0.57 0.074 0.542434169278997 0.535776374716661 0.8249 0.9741 3213136 Ald1-H_000041 Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B22 compound treatment 0.557 1.08 0.95 0.831 1.36 1.3 0.829 1.297434169279 1.28150956377581 2.0411 0.9911 3213138 Ald1-H_000042 Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B23 compound treatment 0.646 1.17 1.03 1.345 1.88 1.54 1.219 1.687434169279 1.50876816651302 2.3545 0.9859 3213140 Ald1-H_000043 Cc1[nH]cnc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 B24 compound treatment 0.102 0.624 0.55 -0.308 0.225 0.21 0.247 0.715434169278997 0.706652986249421 0.8505 0.9224 3213142 Ald1-H_000044 Cc1[nH]cnc1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C01 compound treatment -0.193 0.329 0.29 -0.279 0.254 0.24 -0.406 0.062434169278997 0.0616678571691198 0.3435 0.8953 3213144 Ald1-H_000045 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C02 compound treatment -0.336 0.186 0.16 -0.63 -0.097 -0.09 -0.643 -0.174565830721003 -0.172423223369979 -0.0577 -0.2256 3213146 Ald1-H_000046 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Br)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C03 compound treatment -0.867 -0.345 -0.3 -1.169 -0.636 -0.61 -1.783 -1.314565830721 -1.29843095254539 -1.2753 -0.8706 3213148 Ald1-H_000047 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C04 compound treatment -0.714 -0.192 -0.17 -0.641 -0.108 -0.1 -0.982 -0.513565830721003 -0.50726236388793 -0.45 -0.8264 3213150 Ald1-H_000048 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C05 compound treatment -0.189 0.333 0.29 -0.882 -0.349 -0.33 -0.708 -0.239565830721003 -0.236625418454541 -0.1583 -0.3145 3213152 Ald1-H_000049 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C06 compound treatment -0.444 0.0784 0.07 -0.409 0.124 0.12 -0.383 0.085434169278997 0.0843855569682728 0.157 0.9756 3213154 Ald1-H_000050 Oc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C07 compound treatment -0.132 0.39 0.35 -0.03 0.503 0.48 -0.491 -0.022565830721003 -0.0222888594799239 0.4631 0.7836 3213156 Ald1-H_000051 COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)NO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C08 compound treatment 2.491 3.01 1.57 0.039 0.572 0.54 0.161 0.629434169278997 0.621708543522153 1.5779 0.8909 3213158 Ald1-H_000052 COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C09 compound treatment -1.0 -0.478 -0.42 -1.339 -0.806 -0.77 -1.637 -1.168565830721 -1.15422294512468 -1.3534 -0.934 3213160 Ald1-H_000053 COc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C10 compound treatment 0.136 0.658 0.58 -0.437 0.096 0.09 -0.247 0.221434169278997 0.218716303606743 0.5152 0.8196 3213162 Ald1-H_000054 COc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C11 mock treatment -0.33 0.192 0.17 -0.296 0.237 0.23 -0.296 0.172434169278997 0.170317725773765 0.3269 0.9905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C12 mock treatment 0.077 0.599 0.53 -0.417 0.116 0.11 -0.438 0.030434169278997 0.0300606226659504 0.3872 0.714 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C13 compound treatment -0.864 -0.342 -0.3 -2.026 -1.49 -1.42 -0.304 0.164434169278997 0.162415917147972 -0.9017 -0.6163 3213164 Ald1-H_000055 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C14 compound treatment 1.304 1.83 1.41 -0.42 0.113 0.11 -0.023 0.445434169278997 0.439966945128929 1.1303 0.7632 3213166 Ald1-H_000056 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C15 mock treatment 0.134 0.656 0.58 -0.444 0.089 0.08 -0.435 0.033434169278997 0.0330238009006225 0.4031 0.6862 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C16 mock treatment -0.391 0.131 0.12 -0.37 0.163 0.16 -0.487 -0.018565830721003 -0.0183379551670278 0.1462 0.7502 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C17 compound treatment -1.1 -0.578 -0.51 -1.165 -0.632 -0.6 -1.176 -0.707565830721003 -0.698881223063394 -1.0459 -0.992 3213168 Ald1-H_000057 ONC(=O)CCCCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C18 compound treatment -0.224 0.298 0.26 -0.318 0.215 0.2 -0.477 -0.00856583072100298 -0.00846069438478731 0.2657 0.7952 3213170 Ald1-H_000058 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc3OCOc3cc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C19 compound treatment 0.154 0.676 0.6 -0.097 0.436 0.42 0.238 0.706434169278997 0.697763451545404 0.988 0.9796 3213172 Ald1-H_000059 ONC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C20 compound treatment 0.602 1.12 0.99 0.19 0.723 0.69 0.024 0.492434169278997 0.486390070805459 1.2525 0.9608 3213174 Ald1-H_000060 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccnc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C21 compound treatment -0.078 0.444 0.39 -0.562 -0.029 -0.03 0.359 0.827434169278997 0.817278307010514 0.6828 0.7526 3213176 Ald1-H_000061 ONC(=O)CCCCCCC(=O)N/N=C/c1ccncc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C22 compound treatment -0.114 0.408 0.36 -0.299 0.234 0.22 -0.405 0.063434169278997 0.0626555832473438 0.3734 0.8704 3213178 Ald1-H_000062 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccncc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C23 compound treatment -1.01 -0.488 -0.43 -1.229 -0.696 -0.66 -1.25 -0.781565830721003 -0.771972952851973 -1.0773 -0.9749 3213180 Ald1-H_000063 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 C24 compound treatment 0.145 0.667 0.59 -0.92 -0.387 -0.37 -0.676 -0.207565830721003 -0.205018183951372 0.0095 0.0131 3213182 Ald1-H_000064 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)ccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D01 compound treatment -0.672 -0.15 -0.13 -0.737 -0.204 -0.19 -0.574 -0.105565830721003 -0.10427012397252 -0.2487 -0.9673 3213184 Ald1-H_000065 Cc1ccsc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D02 compound treatment -0.5 0.0224 0.02 -0.82 -0.287 -0.27 -0.735 -0.266565830721003 -0.263294022566591 -0.2984 -0.7851 3213186 Ald1-H_000066 Cc1ccsc1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D03 compound treatment -0.204 0.318 0.28 -0.924 -0.391 -0.37 -0.674 -0.205565830721003 -0.203042731794924 -0.1697 -0.3333 3213188 Ald1-H_000067 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D04 compound treatment -1.41 -0.888 -0.78 -1.206 -0.673 -0.64 -1.177 -0.708565830721003 -0.699868949141618 -1.2272 -0.9966 3213190 Ald1-H_000068 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D05 compound treatment -0.61 -0.0876 -0.08 -0.646 -0.113 -0.11 -0.043 0.425434169278997 0.420212423564448 0.1358 0.3082 3213192 Ald1-H_000069 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D06 compound treatment -0.861 -0.339 -0.3 -0.865 -0.332 -0.32 0.026 0.494434169278997 0.488365522961907 -0.0734 -0.1122 3213194 Ald1-H_000070 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D07 compound treatment -0.759 -0.237 -0.21 -1.137 -0.604 -0.58 -0.783 -0.314565830721003 -0.310704874321345 -0.6323 -0.921 3213196 Ald1-H_000071 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D08 compound treatment -1.816 -1.29 -1.14 -2.463 -1.93 -1.84 -0.19 0.278434169278997 0.275016690065513 -1.563 -0.7161 3213198 Ald1-H_000072 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D09 compound treatment -0.522 4.45E-4 0.0 -0.962 -0.429 -0.41 0.056 0.524434169278997 0.517997305308628 0.0634 0.096 3213200 Ald1-H_000073 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D10 compound treatment -1.404 -0.882 -0.78 -1.165 -0.632 -0.6 -1.649 -1.180565830721 -1.16607565806337 -1.4708 -0.9636 3213202 Ald1-H_000074 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D11 mock treatment -0.273 0.249 0.22 -0.279 0.254 0.24 -0.474 -0.00556583072100297 -0.00549751615011517 0.2639 0.8058 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D12 mock treatment 0.158 0.68 0.6 -0.154 0.379 0.36 -0.069 0.399434169278997 0.394531545530623 0.7836 0.9735 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D13 compound treatment 0.46 0.982 0.87 0.466 0.999 0.95 -0.255 0.213434169278997 0.21081449498095 1.1727 0.8982 3213204 Ald1-H_000075 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(s2)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D14 compound treatment -0.086 0.436 0.39 1.609 2.14 1.58 0.493 0.961434169278997 0.949633601492535 1.6848 0.8935 3213206 Ald1-H_000076 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D15 mock treatment -1.455 -0.933 -0.82 -1.36 -0.827 -0.79 -1.5 -1.031565830721 -1.01890447240798 -1.5191 -0.9934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D16 mock treatment -0.429 0.0934 0.08 -0.057 0.476 0.45 -0.267 0.201434169278997 0.198961782042262 0.4244 0.8453 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D17 compound treatment -0.549 -0.0266 -0.02 -0.58 -0.047 -0.04 -0.207 0.261434169278997 0.258225346735705 0.1097 0.4169 3213208 Ald1-H_000077 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D18 compound treatment -1.885 -1.36 -1.2 -0.98 -0.447 -0.43 -1.111 -0.642565830721003 -0.634679027978831 -1.3078 -0.9167 3213210 Ald1-H_000078 ONC(=O)CCCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D19 compound treatment -3.009 -2.49 -2.2 -2.437 -1.9 -1.81 -2.401 -1.932565830721 -1.90884566888785 -3.4185 -0.9966 3213212 Ald1-H_000079 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D20 compound treatment -1.643 -1.12 -0.99 -1.788 -1.25 -1.2 -1.016 -0.547565830721003 -0.540845050547547 -1.5745 -0.9576 3213214 Ald1-H_000080 ONC(=O)CCCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D21 compound treatment -0.825 -0.303 -0.27 -0.497 0.036 0.03 -0.695 -0.226565830721003 -0.223784979437629 -0.2638 -0.7528 3213216 Ald1-H_000081 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D22 compound treatment -1.033 -0.511 -0.45 -1.053 -0.52 -0.5 -1.098 -0.629565830721003 -0.621838588961919 -0.9056 -0.9906 3213218 Ald1-H_000082 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D23 compound treatment -0.744 -0.222 -0.2 -0.841 -0.308 -0.29 -0.596 -0.127565830721003 -0.126000097693449 -0.3552 -0.9483 3213220 Ald1-H_000083 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 D24 compound treatment -0.711 -0.189 -0.17 -1.061 -0.528 -0.5 -3.265 -2.796565830721 -2.76224100047342 -1.9814 -0.7045 3213222 Ald1-H_000084 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E01 mock treatment -0.514 0.00845 0.01 -0.318 0.215 0.2 -0.212 0.256434169278997 0.253286716344584 0.2688 0.825 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E02 mock treatment -0.592 -0.0696 -0.06 -0.462 0.071 0.07 -0.256 0.212434169278997 0.209826768902726 0.1247 0.5449 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E03 compound treatment -2.013 -1.49 -1.32 -1.985 -1.45 -1.38 -1.517 -1.048565830721 -1.03569581573779 -2.1574 -0.9928 3213224 Ald1-H_000085 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)s1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E04 compound treatment -0.507 0.0154 0.01 -0.646 -0.113 -0.11 -0.714 -0.245565830721003 -0.242551774923886 -0.1943 -0.7312 3213226 Ald1-H_000086 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Br)s2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E05 compound treatment 0.015 0.537 0.48 0.219 0.752 0.72 -0.38 0.088434169278997 0.0873487352029449 0.7384 0.8545 3213228 Ald1-H_000087 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E06 compound treatment -0.532 -0.00955 -0.01 -0.557 -0.024 -0.02 -0.512 -0.043565830721003 -0.0430311071226289 -0.0429 -0.8677 3213230 Ald1-H_000088 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E07 compound treatment -1.71 -1.19 -1.05 -1.516 -0.983 -0.94 -1.289 -0.820565830721003 -0.810494269902711 -1.6147 -0.9945 3213232 Ald1-H_000089 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E08 compound treatment -0.439 0.0834 0.07 -0.588 -0.055 -0.05 -0.381 0.087434169278997 0.0863610091247209 0.0622 0.4976 3213234 Ald1-H_000090 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E09 mock treatment -0.47 0.0524 0.05 -0.412 0.121 0.12 -0.241 0.227434169278997 0.224642660076087 0.223 0.8688 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E10 mock treatment -0.309 0.213 0.19 -0.4 0.133 0.13 -0.452 0.016434169278997 0.0162324575708138 0.1915 0.8403 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E11 compound treatment -0.197 0.325 0.29 0.216 0.749 0.71 0.627 1.095434169279 1.08198889597456 1.2028 0.9059 3213236 Ald1-H_000091 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E12 compound treatment -0.523 -5.55E-4 0.0 0.236 0.769 0.73 -0.177 0.291434169278997 0.287857129082426 0.5889 0.7481 3213238 Ald1-H_000092 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E13 compound treatment -2.827 -2.3 -2.04 -1.986 -1.45 -1.38 -1.989 -1.520565830721 -1.50190252465954 -2.8426 -0.9853 3213240 Ald1-H_000093 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E14 compound treatment -1.069 -0.547 -0.48 -0.745 -0.212 -0.2 -0.523 -0.054565830721003 -0.0538960939830934 -0.4267 -0.8105 3213242 Ald1-H_000094 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E15 compound treatment -2.083 -1.56 -1.38 -1.868 -1.33 -1.27 -1.709 -1.240565830721 -1.22533922275681 -2.2383 -0.9988 3213244 Ald1-H_000095 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E16 compound treatment -0.247 0.275 0.24 -0.172 0.361 0.34 -0.385 0.083434169278997 0.0824101048118247 0.3868 0.9007 3213246 Ald1-H_000096 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E17 mock treatment -0.528 -0.00555 0.0 -0.618 -0.085 -0.08 -0.467 0.00143416927899698 0.00141656639745309 -0.0487 -0.6011 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E18 mock treatment -1.269 -0.747 -0.66 -1.317 -0.784 -0.75 -1.025 -0.556565830721003 -0.549734585251563 -1.1296 -0.9924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E19 compound treatment -0.6 -0.0776 -0.07 -0.7 -0.167 -0.16 -0.93 -0.461565830721003 -0.455900607820279 -0.3946 -0.8092 3213248 Ald1-H_000097 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E20 compound treatment -0.22 0.302 0.27 -0.231 0.302 0.29 -0.213 0.255434169278997 0.25229899026636 0.4662 0.9985 3213250 Ald1-H_000098 OC(=O)c1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E21 compound treatment 0.594 1.12 0.99 0.623 1.16 1.1 1.241 1.709434169279 1.51408465742045 2.0799 0.9827 3213252 Ald1-H_000099 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E22 compound treatment -0.333 0.189 0.17 -0.46 0.073 0.07 -0.378 0.090434169278997 0.089324187359393 0.1884 0.9321 3213254 Ald1-H_000100 OC(=O)c1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E23 compound treatment 0.574 1.1 0.97 0.904 1.44 1.37 1.241 1.709434169279 1.51408465742045 2.2242 0.9843 3213256 Ald1-H_000101 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 E24 compound treatment -0.667 -0.145 -0.13 -0.486 0.047 0.04 -0.855 -0.386565830721003 -0.381821151953476 -0.2684 -0.6624 3213258 Ald1-H_000102 OC(=O)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F01 mock treatment -0.528 -0.00555 0.0 -0.854 -0.321 -0.31 -0.558 -0.089565830721003 -0.088466506720935 -0.2304 -0.7239 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F02 mock treatment -0.244 0.278 0.25 0.292 0.825 0.79 -0.405 0.063434169278997 0.0626555832473438 0.6321 0.7652 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F03 compound treatment 0.025 0.547 0.48 -0.422 0.111 0.11 -0.753 -0.284565830721003 -0.281073091974623 0.1782 0.3129 3213260 Ald1-H_000103 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cn(c3ccccc23)S(=O)(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F04 compound treatment -1.521 -0.999 -0.88 -1.529 -0.996 -0.95 -1.857 -1.388565830721 -1.37152268233397 -1.8493 -0.9801 3213262 Ald1-H_000104 ONC(=O)CCCCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F05 compound treatment -0.475 0.0474 0.04 -0.237 0.296 0.28 0.0 0.468434169278997 0.462684644928082 0.4542 0.8357 3213264 Ald1-H_000105 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F06 compound treatment -0.72 -0.198 -0.17 -0.814 -0.281 -0.27 -1.086 -0.617565830721003 -0.60998587602323 -0.6075 -0.8822 3213266 Ald1-H_000106 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F07 compound treatment -0.431 0.0914 0.08 -0.603 -0.07 -0.07 -0.68 -0.211565830721003 -0.208969088264268 -0.1124 -0.481 3213268 Ald1-H_000107 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F08 compound treatment -0.82 -0.298 -0.26 -0.333 0.2 0.19 -0.224 0.244434169278997 0.241434003405896 0.0975 0.241 3213270 Ald1-H_000108 ONC(=O)CCCCCCC(=O)N/N=C/c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F09 mock treatment -0.614 -0.0916 -0.08 -0.5 0.033 0.03 -0.409 0.059434169278997 0.0587046789344477 0.0053 0.0509 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F10 mock treatment -0.037 0.485 0.43 -0.195 0.338 0.32 -0.139 0.329434169278997 0.32539072005494 0.6216 0.9905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F11 compound treatment -0.348 0.174 0.15 -0.533 4.82E-5 0.0 -0.737 -0.268565830721003 -0.265269474723039 -0.0641 -0.2088 3213272 Ald1-H_000109 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F12 compound treatment 0.992 1.51 1.34 0.519 1.05 1.0 0.627 1.095434169279 1.08198889597456 1.9764 0.9922 3213274 Ald1-H_000110 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F13 compound treatment -1.187 -0.665 -0.59 -1.58 -1.05 -1.0 -1.147 -0.678565830721003 -0.670237166794897 -1.302 -0.9734 3213276 Ald1-H_000111 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc[nH]2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F14 compound treatment -0.533 -0.0106 -0.01 -0.145 0.388 0.37 -0.643 -0.174565830721003 -0.172423223369979 0.1085 0.2659 3213278 Ald1-H_000112 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F15 compound treatment -0.112 0.41 0.36 -0.289 0.244 0.23 0.0 0.468434169278997 0.462684644928082 0.6109 0.9661 3213280 Ald1-H_000113 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)N3CCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F16 compound treatment -0.288 0.234 0.21 -0.733 -0.2 -0.19 -0.929 -0.460565830721003 -0.454912881742055 -0.253 -0.4728 3213282 Ald1-H_000114 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F17 mock treatment -0.45 0.0724 0.06 -0.104 0.429 0.41 -0.49 -0.021565830721003 -0.0213011334016999 0.2607 0.6292 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F18 mock treatment -0.51 0.0124 0.01 -0.394 0.139 0.13 -0.369 0.099434169278997 0.0982137220634094 0.1395 0.8443 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F19 compound treatment -0.852 -0.33 -0.29 -0.813 -0.28 -0.27 -0.075 0.393434169278997 0.388605189061278 -0.0978 -0.1766 3213284 Ald1-H_000115 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F20 compound treatment -0.671 -0.149 -0.13 -0.374 0.159 0.15 -0.636 -0.167565830721003 -0.16550914082241 -0.0839 -0.3227 3213286 Ald1-H_000116 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F21 compound treatment -1.899 -1.38 -1.22 -1.982 -1.45 -1.38 -1.908 -1.439565830721 -1.42189671232339 -2.3205 -0.9978 3213288 Ald1-H_000117 CCCCCCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F22 compound treatment -1.239 -0.717 -0.63 -1.057 -0.524 -0.5 -1.321 -0.852565830721003 -0.842101504405881 -1.1401 -0.9778 3213290 Ald1-H_000118 CCCCCCC/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F23 compound treatment -0.459 0.0634 0.06 -0.696 -0.163 -0.16 -0.494 -0.025565830721003 -0.0252520377145961 -0.0718 -0.4301 3213292 Ald1-H_000119 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2nccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 F24 compound treatment -0.59 -0.0676 -0.06 -1.37 -0.837 -0.8 -1.216 -0.747565830721003 -0.738390266192356 -0.9211 -0.8463 3213294 Ald1-H_000120 ONC(=O)CCCCCCC(=O)N/N=C/c1nccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G01 compound treatment -0.549 -0.0266 -0.02 -1.371 -0.838 -0.8 -0.882 -0.413565830721003 -0.408489756065525 -0.7103 -0.7918 3213296 Ald1-H_000121 ONC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G02 compound treatment -0.818 -0.296 -0.26 -0.888 -0.355 -0.34 -0.747 -0.278565830721003 -0.275146735505279 -0.5049 -0.9935 3213298 Ald1-H_000122 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccccc2Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G03 mock treatment -0.52 0.00245 0.0 -0.352 0.181 0.17 -0.537 -0.068565830721003 -0.06772425907823 0.0617 0.3331 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G04 mock treatment -0.391 0.131 0.12 -0.659 -0.126 -0.12 -0.63 -0.161565830721003 -0.159582784353066 -0.0943 -0.4083 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G05 compound treatment -0.822 -0.3 -0.26 -0.819 -0.286 -0.27 -1.043 -0.574565830721003 -0.567513654659596 -0.6378 -0.9339 3213300 Ald1-H_000123 ONC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G06 compound treatment -0.4 0.122 0.11 -0.481 0.052 0.05 -0.161 0.307434169278997 0.303660746334011 0.2664 0.8169 3213302 Ald1-H_000124 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccnc2Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G07 compound treatment -0.925 -0.403 -0.36 -0.336 0.197 0.19 -0.325 0.143434169278997 0.141673669505267 -0.0153 -0.0359 3213304 Ald1-H_000125 ONC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G08 compound treatment -0.472 0.0504 0.04 -0.578 -0.045 -0.04 0.073 0.541434169278997 0.534788648638437 0.3098 0.5754 3213306 Ald1-H_000126 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G09 compound treatment -0.289 0.233 0.21 -0.812 -0.279 -0.27 -0.784 -0.315565830721003 -0.311692600399569 -0.2142 -0.4671 3213308 Ald1-H_000127 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G10 compound treatment -0.756 -0.234 -0.21 -1.026 -0.493 -0.47 -0.857 -0.388565830721003 -0.383796604109924 -0.6119 -0.9551 3213310 Ald1-H_000128 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G11 compound treatment -0.826 -0.304 -0.27 -0.882 -0.349 -0.33 -0.94 -0.471565830721003 -0.46577786860252 -0.6158 -0.9743 3213312 Ald1-H_000129 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G12 compound treatment -0.271 0.251 0.22 -1.209 -0.676 -0.64 -1.272 -0.803565830721003 -0.793702926572902 -0.7017 -0.6708 3213313 Ald1-H_000130 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G13 compound treatment -1.233 -0.711 -0.63 -2.26 -1.73 -1.65 -1.393 -0.924565830721003 -0.913217782038012 -1.8398 -0.9274 3213314 Ald1-H_000131 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G14 compound treatment -0.422 0.1 0.09 -0.347 0.186 0.18 -0.325 0.143434169278997 0.141673669505267 0.2354 0.9661 3213316 Ald1-H_000132 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(C#N)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G15 compound treatment -1.564 -1.04 -0.92 -1.709 -1.18 -1.12 -1.942 -1.473565830721 -1.45547939898301 -2.0188 -0.9826 3213318 Ald1-H_000133 ONC(=O)CCCCCCC(=O)N/N=C/C1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G16 compound treatment -1.779 -1.26 -1.11 -1.474 -0.941 -0.9 -1.516 -1.047565830721 -1.03470808965957 -1.7563 -0.9962 3213320 Ald1-H_000134 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G17 compound treatment 0.251 0.773 0.68 -0.989 -0.456 -0.43 -1.141 -0.672565830721003 -0.664310810325553 -0.2395 -0.2286 3213322 Ald1-H_000135 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G18 compound treatment -0.463 0.0594 0.05 -0.613 -0.08 -0.08 -0.148 0.320434169278997 0.316501185350923 0.1691 0.5128 3213324 Ald1-H_000136 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G19 mock treatment -0.23 0.292 0.26 -0.107 0.426 0.41 1.381 1.849434169279 1.5459296002665 1.2761 0.7882 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G20 mock treatment -0.445 0.0774 0.07 -0.227 0.306 0.29 -0.206 0.262434169278997 0.259213072813929 0.3575 0.9026 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G21 compound treatment -0.333 0.189 0.17 -2.074 -1.54 -1.47 -1.698 -1.229565830721 -1.21447423589635 -1.452 -0.7592 3213326 Ald1-H_000137 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G22 compound treatment 0.29 0.812 0.72 -0.243 0.29 0.28 -0.293 0.175434169278997 0.173280904008437 0.6743 0.8547 3213328 Ald1-H_000138 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G23 compound treatment -0.667 -0.145 -0.13 -0.757 -0.224 -0.21 -0.621 -0.152565830721003 -0.15069324964905 -0.284 -0.9765 3213330 Ald1-H_000139 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 G24 compound treatment -0.444 0.0784 0.07 -0.911 -0.378 -0.36 -0.714 -0.245565830721003 -0.242551774923886 -0.3079 -0.7003 3213332 Ald1-H_000140 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H01 compound treatment -0.015 0.507 0.45 -0.714 -0.181 -0.17 -0.759 -0.290565830721003 -0.286999448443968 -0.0062 -0.0111 3213334 Ald1-H_000141 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H02 compound treatment -0.414 0.108 0.1 -0.913 -0.38 -0.36 -0.899 -0.430565830721003 -0.425281099395334 -0.3992 -0.7044 3213336 Ald1-H_000142 ONC(=O)CCCCCCC(=O)N/N=C/c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H03 mock treatment -0.409 0.113 0.1 -0.095 0.438 0.42 0.097 0.565434169278997 0.558494074515814 0.6213 0.8821 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H04 mock treatment -0.663 -0.141 -0.12 -0.247 0.286 0.27 0.149 0.617434169278997 0.609855830583464 0.4377 0.6442 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H05 compound treatment -0.185 0.337 0.3 -0.607 -0.074 -0.07 -0.533 -0.064565830721003 -0.0637733547653338 0.0947 0.3026 3213338 Ald1-H_000143 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H06 compound treatment -1.742 -1.22 -1.08 -2.022 -1.49 -1.42 -0.807 -0.338565830721003 -0.334410300198722 -1.6345 -0.9016 3213340 Ald1-H_000144 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H07 compound treatment -2.203 -1.68 -1.49 -1.573 -1.04 -0.99 -1.111 -0.642565830721003 -0.634679027978831 -1.7962 -0.9478 3213342 Ald1-H_000145 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H08 compound treatment 1.577 2.1 1.46 1.837 2.37 1.62 0.051 0.519434169278997 0.513058674917508 2.0707 0.9261 3213344 Ald1-H_000146 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H09 compound treatment 1.302 1.82 1.41 1.481 2.01 1.56 1.076 1.544434169279 1.47186385533282 2.5651 0.9991 3213346 Ald1-H_000147 Oc1cc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H10 compound treatment 1.698 2.22 1.47 6.049 6.58 1.89 0.918 1.386434169279 1.36941718473775 2.7343 0.9899 3213348 Ald1-H_000148 ONC(=O)CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H11 compound treatment -0.188 0.334 0.3 -0.587 -0.054 -0.05 -0.382 0.086434169278997 0.0853732830464969 0.1903 0.61 3213350 Ald1-H_000149 COc1cc(OC)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H12 compound treatment -0.371 0.151 0.13 -0.283 0.25 0.24 -1.326 -0.857565830721003 -0.847040134797001 -0.2742 -0.3081 3213352 Ald1-H_000150 COc1cc(OC)c(/C=N/NC(=O)CCCCCCC(=O)NO)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H13 compound treatment 0.516 1.04 0.92 0.451 0.984 0.94 -0.5 -0.031565830721003 -0.0311783941839403 1.0533 0.8025 3213354 Ald1-H_000151 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H14 compound treatment -0.782 -0.26 -0.23 -0.256 0.277 0.26 -0.466 0.00243416927899698 0.00240429247567713 0.0213 0.0609 3213356 Ald1-H_000152 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H15 compound treatment -0.901 -0.379 -0.33 -1.07 -0.537 -0.51 -0.951 -0.482565830721003 -0.476642855462984 -0.7637 -0.9853 3213358 Ald1-H_000153 CC(C)(C)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H16 compound treatment -0.567 -0.0446 -0.04 -0.849 -0.316 -0.3 -1.149 -0.680565830721003 -0.672212618951345 -0.5846 -0.7926 3213360 Ald1-H_000154 CC(C)(C)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H17 compound treatment -1.025 -0.503 -0.44 -0.876 -0.343 -0.33 -0.42 0.048434169278997 0.0478396920739832 -0.4175 -0.7542 3213362 Ald1-H_000155 CC1=C(C/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H18 compound treatment -1.177 -0.655 -0.58 -2.0 -1.47 -1.4 -0.831 -0.362565830721003 -0.358115726076099 -1.3477 -0.867 3213364 Ald1-H_000156 CC1=C(C/C=N/NC(=O)CCCCCCC(=O)NO)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H19 mock treatment -0.231 0.291 0.26 -0.293 0.24 0.23 0.524 0.992434169278997 0.980253109917481 0.8467 0.8149 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H20 mock treatment 0.077 0.599 0.53 -0.384 0.149 0.14 -0.279 0.189434169278997 0.187109069103573 0.496 0.8556 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H21 compound treatment -0.069 0.453 0.4 -0.803 -0.27 -0.26 0.321 0.789434169278997 0.779744716038 0.5332 0.5835 3213366 Ald1-H_000157 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H22 compound treatment -0.667 -0.145 -0.13 -0.458 0.075 0.07 -0.141 0.327434169278997 0.323415267898492 0.1542 0.4344 3213368 Ald1-H_000158 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H23 compound treatment -0.44 0.0824 0.07 0.14 0.673 0.64 0.143 0.611434169278997 0.60392947411412 0.7609 0.861 3213370 Ald1-H_000159 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 H24 compound treatment 0.036 0.558 0.49 -0.043 0.49 0.47 -0.714 -0.245565830721003 -0.242551774923886 0.4145 0.5746 3213372 Ald1-H_000160 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I01 compound treatment -1.25 -0.728 -0.64 -0.878 -0.345 -0.33 -1.536 -1.067565830721 -1.05446261122405 -1.1699 -0.9153 3213374 Ald1-H_000161 COc1cc(Cl)c(/C=N/NC(=O)CCCCCCC(=O)NO)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I02 compound treatment 0.061 0.583 0.52 -0.247 0.286 0.27 0.169 0.637434169278997 0.629610352147945 0.8186 0.9538 3213376 Ald1-H_000162 COc1cc(Cl)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I03 compound treatment -1.685 -1.16 -1.03 -1.543 -1.01 -0.96 -1.434 -0.965565830721003 -0.953714551245197 -1.6995 -0.9994 3213378 Ald1-H_000163 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I04 compound treatment -0.333 0.189 0.17 -0.588 -0.055 -0.05 -0.418 0.050434169278997 0.0498151442304313 0.0952 0.5221 3213380 Ald1-H_000164 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I05 mock treatment -0.487 0.0354 0.03 -0.464 0.069 0.07 -0.397 0.071434169278997 0.0705573918731362 0.0968 0.9545 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I06 mock treatment -0.359 0.163 0.14 -0.371 0.162 0.15 -0.244 0.224434169278997 0.221679481841415 0.3005 0.981 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I07 compound treatment -1.485 -0.963 -0.85 -1.911 -1.38 -1.31 -1.75 -1.281565830721 -1.265835991964 -1.98 -0.9839 3213382 Ald1-H_000165 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I08 compound treatment -0.984 -0.462 -0.41 -1.2 -0.667 -0.64 -1.024 -0.555565830721003 -0.548746859173339 -0.9192 -0.9848 3213384 Ald1-H_000166 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I09 compound treatment 2.843 3.37 1.6 2.318 2.85 1.68 1.491 1.959434169279 1.56878549852433 2.7952 0.9996 3213386 Ald1-H_000167 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I10 compound treatment -0.122 0.4 0.35 -0.449 0.084 0.08 -0.347 0.121434169278997 0.119943695784338 0.3199 0.8368 3213388 Ald1-H_000168 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I11 compound treatment -1.776 -1.25 -1.11 -0.817 -0.284 -0.27 -1.377 -0.908565830721003 -0.897414164786427 -1.3142 -0.9054 3213390 Ald1-H_000169 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I12 compound treatment -0.424 0.0984 0.09 -0.775 -0.242 -0.23 -0.897 -0.428565830721003 -0.423305647238886 -0.3272 -0.6681 3213392 Ald1-H_000170 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3OCCc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I13 compound treatment 0.253 0.775 0.69 -0.45 0.083 0.08 -0.095 0.373434169278997 0.368850667496798 0.6544 0.8363 3213394 Ald1-H_000171 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I14 compound treatment -0.716 -0.194 -0.17 -0.818 -0.285 -0.27 -0.603 -0.134565830721003 -0.132914180241017 -0.3323 -0.9566 3213396 Ald1-H_000172 Oc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I15 compound treatment -0.136 0.386 0.34 -0.678 -0.145 -0.14 -0.635 -0.166565830721003 -0.164521414744186 0.0225 0.0559 3213398 Ald1-H_000173 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I16 compound treatment -0.64 -0.118 -0.1 -0.63 -0.097 -0.09 -0.543 -0.074565830721003 -0.0736506155475743 -0.1559 -0.9905 3213400 Ald1-H_000174 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I17 compound treatment -0.125 0.397 0.35 -0.647 -0.114 -0.11 -0.311 0.157434169278997 0.155501834600404 0.23 0.576 3213402 Ald1-H_000175 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I18 compound treatment -0.933 -0.411 -0.36 -0.557 -0.024 -0.02 -1.153 -0.684565830721003 -0.676163523264241 -0.6131 -0.7986 3213404 Ald1-H_000176 Oc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I19 compound treatment 0.539 1.06 0.94 -0.188 0.345 0.33 -0.079 0.389434169278997 0.384654284748382 0.9537 0.8945 3213406 Ald1-H_000177 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I20 compound treatment -0.141 0.381 0.34 -0.439 0.094 0.09 -0.328 0.140434169278997 0.138710491270595 0.3265 0.8696 3213408 Ald1-H_000178 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I21 mock treatment 0.019 0.541 0.48 -0.102 0.431 0.41 -0.18 0.288434169278997 0.284893950847754 0.6779 0.9796 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I22 mock treatment -0.375 0.147 0.13 0.679 1.21 1.15 -0.241 0.227434169278997 0.224642660076087 0.8716 0.7365 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I23 compound treatment -1.128 -0.606 -0.54 -1.366 -0.833 -0.79 -1.208 -0.739565830721003 -0.730488457566563 -1.189 -0.9874 3213410 Ald1-H_000179 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 I24 compound treatment -0.269 0.253 0.22 -0.87 -0.337 -0.32 -0.712 -0.243565830721003 -0.240576322767438 -0.1949 -0.4241 3213412 Ald1-H_000180 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J01 compound treatment -2.225 -1.7 -1.51 -2.195 -1.66 -1.58 -1.587 -1.118565830721 -1.10483664121348 -2.421 -0.9889 3213414 Ald1-H_000181 Oc1ccccc1NC(=O)CCCCCCC(=O)NN=C2CCCCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J02 compound treatment 0.49 1.01 0.9 -1.027 -0.494 -0.47 -0.702 -0.233565830721003 -0.230699061985197 0.1119 0.1079 3213415 Ald1-H_000182 ONC(=O)CCCCCCC(=O)NN=C1CCCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J03 compound treatment -0.902 -0.38 -0.34 -1.095 -0.562 -0.54 -1.585 -1.116565830721 -1.10286118905703 -1.1396 -0.8966 3213416 Ald1-H_000183 Oc1ccccc1NC(=O)CCCCCCC(=O)NN=C2CCCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J04 compound treatment -0.556 -0.0336 -0.03 -0.901 -0.368 -0.35 -0.884 -0.415565830721003 -0.410465208221973 -0.4565 -0.8444 3213417 Ald1-H_000184 ONC(=O)CCCCCCC(=O)NN=C1CCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J05 mock treatment -0.328 0.194 0.17 -0.011 0.522 0.5 -0.231 0.237434169278997 0.234519920858328 0.5218 0.9057 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J06 mock treatment -0.25 0.272 0.24 -0.279 0.254 0.24 -0.338 0.130434169278997 0.128833230488355 0.3532 0.9677 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J07 compound treatment -1.744 -1.22 -1.08 -2.057 -1.52 -1.45 -1.149 -0.680565830721003 -0.672212618951345 -1.8498 -0.9583 3213418 Ald1-H_000185 Oc1ccccc1NC(=O)CCCCCCC(=O)NN=C2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J08 compound treatment -0.586 -0.0636 -0.06 -1.096 -0.563 -0.54 -0.716 -0.247565830721003 -0.244527227080334 -0.4832 -0.8162 3213419 Ald1-H_000186 ONC(=O)CCCCCCC(=O)NN=C1CCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J09 mock treatment -0.643 -0.121 -0.11 -0.489 0.044 0.04 -0.326 0.142434169278997 0.140685943427043 0.0439 0.2421 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J10 mock treatment -0.703 -0.181 -0.16 -1.169 -0.636 -0.61 -1.025 -0.556565830721003 -0.549734585251563 -0.7593 -0.911 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J11 compound treatment 0.221 0.743 0.66 1.081 1.61 1.48 -0.012 0.456434169278997 0.450831931989393 1.4943 0.8889 3213420 Ald1-H_000187 COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J12 compound treatment -0.153 0.369 0.33 -0.762 -0.229 -0.22 -0.581 -0.112565830721003 -0.111184206520088 -0.0015 -0.0038 3213422 Ald1-H_000188 COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)NO)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J13 compound treatment -2.035 -1.51 -1.34 -2.458 -1.92 -1.83 -1.659 -1.190565830721 -1.17595291884561 -2.5097 -0.9818 3213424 Ald1-H_000189 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/CCC2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J14 compound treatment -1.114 -0.592 -0.52 -1.307 -0.774 -0.74 -1.186 -0.717565830721003 -0.708758483845634 -1.1368 -0.9897 3213426 Ald1-H_000190 ONC(=O)CCCCCCC(=O)N/N=C/CCC1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J15 compound treatment 0.386 0.908 0.8 0.552 1.09 1.03 0.29 0.758434169278997 0.749125207613054 1.493 0.9899 3213428 Ald1-H_000191 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(cc2)N(c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J16 compound treatment -1.257 -0.735 -0.65 -0.971 -0.438 -0.42 -1.475 -1.006565830721 -0.994211320452383 -1.1898 -0.9453 3213430 Ald1-H_000192 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J17 compound treatment 0.412 0.934 0.83 -0.223 0.31 0.3 -0.317 0.151434169278997 0.14957547813106 0.7339 0.8246 3213432 Ald1-H_000193 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J18 compound treatment -0.26 0.262 0.23 -0.836 -0.303 -0.29 -0.5 -0.031565830721003 -0.0311783941839403 -0.0507 -0.1363 3213434 Ald1-H_000194 ONC(=O)CCCCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J19 mock treatment -1.492 -0.97 -0.86 -1.254 -0.721 -0.69 -0.549 -0.080565830721003 -0.0795769720169185 -0.9374 -0.8512 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J20 mock treatment -0.268 0.254 0.22 -0.262 0.271 0.26 -0.333 0.135434169278997 0.133771860879475 0.3562 0.9688 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J21 mock treatment -0.623 -0.101 -0.09 -0.317 0.216 0.21 -0.255 0.213434169278997 0.21081449498095 0.1892 0.6148 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J22 mock treatment -0.7 -0.178 -0.16 -0.778 -0.245 -0.23 -0.286 0.182434169278997 0.180194986556005 -0.1213 -0.3632 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J23 mock treatment -0.356 0.166 0.15 -0.391 0.142 0.14 -0.475 -0.00656583072100297 -0.00648524222833922 0.1593 0.7966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 J24 mock treatment -0.235 0.287 0.25 -0.067 0.466 0.44 -0.133 0.335434169278997 0.331317076524284 0.5943 0.9752 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K01 compound treatment 0.026 0.548 0.48 -0.74 -0.207 -0.2 -0.114 0.354434169278997 0.350083872010541 0.3682 0.5848 3213436 Ald1-H_000195 COc1cccc(OC)c1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K02 compound treatment -0.747 -0.225 -0.2 -0.611 -0.078 -0.07 -0.43 0.038434169278997 0.0379624312917428 -0.1356 -0.6296 3213438 Ald1-H_000196 COc1cccc(OC)c1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K03 compound treatment -0.202 0.32 0.28 -0.843 -0.31 -0.3 -0.803 -0.334565830721003 -0.330459395885826 -0.1977 -0.3759 3213440 Ald1-H_000197 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K04 compound treatment -0.853 -0.331 -0.29 -0.641 -0.108 -0.1 -0.806 -0.337565830721003 -0.333422574120498 -0.4206 -0.9241 3213442 Ald1-H_000198 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K05 compound treatment 0.123 0.645 0.57 1.019 1.55 1.47 0.391 0.859434169278997 0.848885541513683 1.6655 0.9321 3213444 Ald1-H_000199 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K06 compound treatment 0.946 1.47 1.3 0.513 1.05 1.0 0.315 0.783434169278997 0.773818359568656 1.7717 0.9786 3213446 Ald1-H_000200 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K07 mock treatment -0.289 0.233 0.21 0.031 0.564 0.54 0.461 0.929434169278997 0.918026366989366 0.9594 0.8854 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K08 mock treatment -0.453 0.0694 0.06 -0.042 0.491 0.47 -0.183 0.285434169278997 0.281930772613082 0.4683 0.852 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K09 compound treatment -1.096 -0.574 -0.51 -2.03 -1.5 -1.43 -2.397 -1.928565830721 -1.90489476457495 -2.2159 -0.9108 3213448 Ald1-H_000201 CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)NO)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K10 compound treatment -0.988 -0.466 -0.41 -2.219 -1.69 -1.61 -1.767 -1.298565830721 -1.2826273352938 -1.9055 -0.909 3213450 Ald1-H_000202 CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K11 compound treatment 1.157 1.68 1.38 0.123 0.656 0.62 0.014 0.482434169278997 0.476512810023218 1.4333 0.902 3213452 Ald1-H_000203 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K12 compound treatment 0.014 0.536 0.47 0.25 0.783 0.75 0.176 0.644434169278997 0.636524434695513 1.072 0.9841 3213454 Ald1-H_000204 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K13 compound treatment -1.575 -1.05 -0.93 -1.493 -0.96 -0.91 -1.446 -0.977565830721003 -0.965567264183886 -1.6227 -0.9997 3213456 Ald1-H_000205 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K14 compound treatment -0.323 0.199 0.18 -0.421 0.112 0.11 -0.342 0.126434169278997 0.124882326175459 0.2355 0.9773 3213458 Ald1-H_000206 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)cs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K15 mock treatment 0.093 0.615 0.54 -0.013 0.52 0.5 -0.09 0.378434169278997 0.373789297887918 0.816 0.9886 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K16 mock treatment 0.103 0.625 0.55 -0.107 0.426 0.41 -0.261 0.207434169278997 0.204888138511606 0.6719 0.9385 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K17 compound treatment -1.464 -0.942 -0.83 -1.042 -0.509 -0.48 -0.906 -0.437565830721003 -0.432195181942902 -1.0101 -0.9566 3213460 Ald1-H_000207 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K18 compound treatment -0.706 -0.184 -0.16 -0.125 0.408 0.39 -0.483 -0.014565830721003 -0.0143870508541316 0.1224 0.2905 3213462 Ald1-H_000208 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K19 compound treatment -0.861 -0.339 -0.3 -0.512 0.021 0.02 -0.355 0.113434169278997 0.112041887158546 -0.0965 -0.3015 3213464 Ald1-H_000209 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K20 compound treatment 0.174 0.696 0.62 -0.385 0.148 0.14 -0.054 0.414434169278997 0.409347436703983 0.6733 0.8944 3213466 Ald1-H_000210 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc-3c(Cc4ccccc43)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K21 compound treatment -0.695 -0.173 -0.15 -2.122 -1.59 -1.51 -2.183 -1.714565830721 -1.69352138383501 -1.9398 -0.8521 3213468 Ald1-H_000211 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K22 compound treatment -0.338 0.184 0.16 -0.296 0.237 0.23 -0.494 -0.025565830721003 -0.0252520377145961 0.2099 0.7506 3213470 Ald1-H_000212 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(F)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K23 mock treatment -0.043 0.479 0.42 -0.045 0.488 0.46 -0.086 0.382434169278997 0.377740202200814 0.7312 0.9965 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 K24 mock treatment 0.038 0.56 0.5 -0.098 0.435 0.41 0.183 0.651434169278997 0.643438517243082 0.8968 0.9836 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L01 compound treatment -0.776 -0.254 -0.22 -0.965 -0.432 -0.41 -1.245 -0.776565830721003 -0.767034322460853 -0.8099 -0.901 3213472 Ald1-H_000213 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L02 compound treatment -0.362 0.16 0.14 -0.347 0.186 0.18 -0.324 0.144434169278997 0.142661395583491 0.2666 0.9943 3213474 Ald1-H_000214 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L03 compound treatment -0.735 -0.213 -0.19 -0.594 -0.061 -0.06 -0.686 -0.217565830721003 -0.214895444733613 -0.2661 -0.9134 3213476 Ald1-H_000215 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L04 compound treatment -0.064 0.458 0.41 -0.217 0.316 0.3 -0.655 -0.186565830721003 -0.184275936308667 0.3014 0.5608 3213478 Ald1-H_000216 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L05 compound treatment -0.481 0.0414 0.04 -0.538 -0.00495 0.0 -0.757 -0.288565830721003 -0.28502399628752 -0.1461 -0.5084 3213480 Ald1-H_000217 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L06 compound treatment -0.632 -0.11 -0.1 -0.595 -0.062 -0.06 -0.746 -0.277565830721003 -0.274159009427055 -0.2483 -0.8368 3213482 Ald1-H_000218 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L07 mock treatment -0.261 0.261 0.23 -0.657 -0.124 -0.12 -0.601 -0.132565830721003 -0.130938728084569 -0.0103 -0.0355 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L08 mock treatment -0.507 0.0154 0.01 -0.362 0.171 0.16 0.322 0.790434169278997 0.780732442116224 0.5527 0.6929 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L09 compound treatment -0.38 0.142 0.13 -0.554 -0.021 -0.02 -0.289 0.179434169278997 0.177231808321333 0.1635 0.7489 3213484 Ald1-H_000219 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L10 compound treatment -0.402 0.12 0.11 -0.243 0.29 0.28 -0.418 0.050434169278997 0.0498151442304313 0.2498 0.8318 3213485 Ald1-H_000220 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L11 compound treatment 0.284 0.806 0.71 -0.526 0.00705 0.01 0.368 0.836434169278997 0.82616784171453 0.8925 0.8178 3213486 Ald1-H_000221 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L12 compound treatment -0.763 -0.241 -0.21 -0.689 -0.156 -0.15 -1.073 -0.604565830721003 -0.597145437006318 -0.5533 -0.8499 3213487 Ald1-H_000222 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L13 compound treatment -0.896 -0.374 -0.33 -1.091 -0.558 -0.53 -1.267 -0.798565830721003 -0.788764296181782 -0.9529 -0.9465 3213488 Ald1-H_000223 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L14 compound treatment -0.136 0.386 0.34 -0.621 -0.088 -0.08 -1.026 -0.557565830721003 -0.550722311329788 -0.1691 -0.2587 3213490 Ald1-H_000224 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L15 mock treatment 0.734 1.26 1.11 -0.367 0.166 0.16 -0.224 0.244434169278997 0.241434003405896 0.8721 0.7598 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L16 mock treatment -0.486 0.0364 0.03 -0.387 0.146 0.14 -0.559 -0.090565830721003 -0.089454232799159 0.0473 0.2806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L17 compound treatment 0.234 0.756 0.67 -0.354 0.179 0.17 -0.208 0.260434169278997 0.257237620657481 0.6331 0.8596 3213492 Ald1-H_000225 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L18 compound treatment -1.597 -1.07 -0.95 -1.5 -0.967 -0.92 -1.09 -0.621565830721003 -0.613936780336126 -1.4348 -0.9836 3213494 Ald1-H_000226 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L19 compound treatment -0.289 0.233 0.21 -0.257 0.276 0.26 -0.124 0.344434169278997 0.3402066112283 0.4674 0.98 3213496 Ald1-H_000227 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc[n+]([O-])cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L20 compound treatment 0.283 0.805 0.71 0.093 0.626 0.6 -0.049 0.419434169278997 0.414286067095104 0.9947 0.978 3213498 Ald1-H_000228 ONC(=O)CCCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L21 compound treatment -0.514 0.00845 0.01 0.029 0.562 0.54 -0.043 0.425434169278997 0.420212423564448 0.5561 0.8169 3213500 Ald1-H_000229 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3ccccc3n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L22 compound treatment -0.794 -0.272 -0.24 -1.419 -0.886 -0.84 -1.433 -0.964565830721003 -0.952726825166973 -1.176 -0.9079 3213502 Ald1-H_000230 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L23 mock treatment -0.562 -0.0396 -0.03 -0.408 0.125 0.12 -0.426 0.042434169278997 0.0419133356046389 0.0728 0.5555 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 L24 mock treatment 0.559 1.08 0.96 -0.028 0.505 0.48 0.173 0.641434169278997 0.633561256460841 1.1956 0.9612 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M01 compound treatment -0.763 -0.241 -0.21 -0.846 -0.313 -0.3 0.172 0.640434169278997 0.632573530382617 0.0703 0.0962 3213504 Ald1-H_000231 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M02 compound treatment -0.224 0.298 0.26 -0.266 0.267 0.25 -0.4 0.068434169278997 0.067594213638464 0.3382 0.9075 3213506 Ald1-H_000232 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M03 compound treatment -2.576 -2.05 -1.82 -1.726 -1.19 -1.14 -1.64 -1.171565830721 -1.15718612335935 -2.3724 -0.9745 3213508 Ald1-H_000233 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M04 compound treatment -0.279 0.243 0.22 -0.581 -0.048 -0.05 -0.483 -0.014565830721003 -0.0143870508541316 0.0896 0.4063 3213510 Ald1-H_000234 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(F)c(Oc3ccccc3)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M05 compound treatment -1.015 -0.493 -0.44 -1.362 -0.829 -0.79 -0.6 -0.131565830721003 -0.129951002006345 -0.7824 -0.8587 3213512 Ald1-H_000235 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M06 compound treatment -1.219 -0.697 -0.62 -0.391 0.142 0.14 -1.172 -0.703565830721003 -0.694930318750498 -0.6786 -0.7232 3213514 Ald1-H_000236 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(F)ccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M07 compound treatment -1.256 -0.734 -0.65 -1.67 -1.14 -1.08 -1.448 -0.979565830721003 -0.967542716340334 -1.5584 -0.9798 3213516 Ald1-H_000237 ONC(=O)CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M08 compound treatment -0.642 -0.12 -0.11 -0.516 0.017 0.02 -0.617 -0.148565830721003 -0.146742345336153 -0.1364 -0.751 3213518 Ald1-H_000238 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2coc3ccccc3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M09 mock treatment -0.441 0.0814 0.07 0.0 0.533 0.51 -0.349 0.119434169278997 0.11796824362789 0.4029 0.7655 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M10 mock treatment -0.35 0.172 0.15 -0.279 0.254 0.24 -0.304 0.164434169278997 0.162415917147972 0.3215 0.9775 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M11 compound treatment -1.952 -1.43 -1.26 -1.284 -0.751 -0.72 -1.36 -0.891565830721003 -0.880622821456618 -1.6512 -0.9722 3213520 Ald1-H_000239 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M12 compound treatment -0.37 0.152 0.13 -0.299 0.234 0.22 -0.574 -0.105565830721003 -0.10427012397252 0.1463 0.5215 3213522 Ald1-H_000240 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M13 mock treatment -0.561 -0.0386 -0.03 -0.735 -0.202 -0.19 -0.217 0.251434169278997 0.248348085953464 0.0126 0.04 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M14 mock treatment -0.91 -0.388 -0.34 -0.615 -0.082 -0.08 -0.121 0.347434169278997 0.343169789462972 -0.0448 -0.0911 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M15 compound treatment -0.453 0.0694 0.06 -0.197 0.336 0.32 -0.393 0.075434169278997 0.0745082961860324 0.2633 0.7874 3213524 Ald1-H_000241 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)B(O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M16 compound treatment -0.64 -0.118 -0.1 -1.189 -0.656 -0.62 -0.879 -0.410565830721003 -0.405526577830853 -0.6549 -0.8707 3213526 Ald1-H_000242 OB(O)c1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M17 compound treatment 0.468 0.99 0.88 -0.217 0.316 0.3 -0.217 0.251434169278997 0.248348085953464 0.8228 0.8582 3213528 Ald1-H_000243 ONC(=O)CCCCCCC(=O)N/N=C/c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M18 compound treatment 0.478 1.0 0.88 -0.168 0.365 0.35 -0.39 0.078434169278997 0.0774714744207045 0.7562 0.793 3213530 Ald1-H_000244 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M19 compound treatment -0.812 -0.29 -0.26 -0.403 0.13 0.12 -0.562 -0.0935658307210031 -0.0924174110338311 -0.1296 -0.4335 3213532 Ald1-H_000245 ONC(=O)CCCCCCC(=O)N/N=C/c1ccoc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M20 compound treatment -0.438 0.0844 0.07 -0.323 0.21 0.2 -0.264 0.204434169278997 0.201924960276934 0.2752 0.9364 3213534 Ald1-H_000246 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccoc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M21 compound treatment -0.885 -0.363 -0.32 -1.556 -1.02 -0.97 -1.565 -1.096565830721 -1.08310666749255 -1.373 -0.9204 3213536 Ald1-H_000247 ONC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M22 compound treatment -0.735 -0.213 -0.19 -0.596 -0.063 -0.06 -0.511 -0.042565830721003 -0.0420433810444048 -0.1674 -0.83 3213538 Ald1-H_000248 Oc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M23 compound treatment -0.426 0.0964 0.09 -1.328 -0.795 -0.76 -0.731 -0.262565830721003 -0.259343118253694 -0.5377 -0.668 3213540 Ald1-H_000249 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 M24 compound treatment -0.732 -0.21 -0.19 -0.244 0.289 0.28 -0.533 -0.064565830721003 -0.0637733547653338 0.0152 0.045 3213542 Ald1-H_000250 Oc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N01 compound treatment -1.224 -0.702 -0.62 -1.181 -0.648 -0.62 -1.12 -0.651565830721003 -0.643568562682848 -1.086 -0.9998 3213544 Ald1-H_000251 Cc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N02 compound treatment -2.519 -2.0 -1.77 -1.977 -1.44 -1.38 -1.845 -1.376565830721 -1.35966996939528 -2.5983 -0.9923 3213546 Ald1-H_000252 Cc1ccccc1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N03 compound treatment -0.881 -0.359 -0.32 -0.538 -0.00495 0.0 -0.662 -0.193565830721003 -0.191190018856236 -0.2961 -0.7999 3213548 Ald1-H_000253 COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N04 compound treatment -0.299 0.223 0.2 -0.103 0.43 0.41 -0.031 0.437434169278997 0.432065136503136 0.6 0.9565 3213550 Ald1-H_000254 COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N05 compound treatment -0.367 0.155 0.14 -0.696 -0.163 -0.16 -0.327 0.141434169278997 0.139698217348819 0.0704 0.2815 3213552 Ald1-H_000255 O[C@@H](/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N06 compound treatment -0.027 0.495 0.44 -0.426 0.107 0.1 -0.128 0.340434169278997 0.336255706915404 0.5059 0.9009 3213554 Ald1-H_000256 ONC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N07 compound treatment -0.731 -0.209 -0.18 -0.698 -0.165 -0.16 -0.625 -0.156565830721003 -0.154644153961946 -0.2865 -0.9967 3213556 Ald1-H_000257 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N08 compound treatment 0.0 0.522 0.46 -0.358 0.175 0.17 -0.155 0.313434169278997 0.309587102803355 0.5417 0.9331 3213557 Ald1-H_000258 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N09 mock treatment -0.256 0.266 0.24 -0.281 0.252 0.24 -0.157 0.311434169278997 0.307611650646907 0.4522 0.9921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N10 mock treatment -0.113 0.409 0.36 -0.517 0.016 0.02 0.0 0.468434169278997 0.462684644928082 0.485 0.8252 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N11 compound treatment -0.243 0.279 0.25 -0.317 0.216 0.21 -0.473 -0.00456583072100297 -0.00450979007189113 0.2589 0.805 3213558 Ald1-H_000259 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N12 compound treatment -0.52 0.00245 0.0 -0.405 0.128 0.12 -0.653 -0.184565830721003 -0.182300484152219 -0.0336 -0.1531 3213560 Ald1-H_000260 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N13 mock treatment -0.487 0.0354 0.03 -0.558 -0.025 -0.02 -0.376 0.092434169278997 0.0912996395158411 0.0571 0.5742 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N14 mock treatment -2.089 -1.57 -1.38 -1.549 -1.02 -0.97 -1.548 -1.079565830721 -1.06631532416274 -1.974 -0.988 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N15 compound treatment -0.488 0.0344 0.03 -0.73 -0.197 -0.19 -0.479 -0.010565830721003 -0.0104361465412354 -0.0968 -0.5083 3213562 Ald1-H_000261 CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N16 compound treatment -1.75 -1.23 -1.09 -1.412 -0.879 -0.84 -1.635 -1.166565830721 -1.15224749296823 -1.7753 -0.9914 3213564 Ald1-H_000262 CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)NO)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N17 compound treatment -0.07 0.452 0.4 -0.19 0.343 0.33 -0.301 0.167434169278997 0.165379095382644 0.5151 0.9497 3213566 Ald1-H_000263 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(I)cc(I)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N18 compound treatment -0.695 -0.173 -0.15 -1.143 -0.61 -0.58 -1.395 -0.926565830721003 -0.91519323419446 -0.9519 -0.8695 3213568 Ald1-H_000264 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N19 compound treatment -0.417 0.105 0.09 -0.109 0.424 0.4 -0.429 0.039434169278997 0.0389501573699668 0.3095 0.7434 3213570 Ald1-H_000265 CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N20 compound treatment 0.177 0.699 0.62 -0.286 0.247 0.24 -0.338 0.130434169278997 0.128833230488355 0.5673 0.8416 3213572 Ald1-H_000266 CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N21 compound treatment -0.634 -0.112 -0.1 -0.338 0.195 0.19 -0.231 0.237434169278997 0.234519920858328 0.1857 0.5896 3213574 Ald1-H_000267 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCCC(=O)Nc4ccccc4O)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N22 compound treatment -0.386 0.136 0.12 -1.358 -0.825 -0.79 -1.422 -0.953565830721003 -0.941861838306509 -0.9279 -0.7528 3213576 Ald1-H_000268 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCCC(=O)NO)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N23 compound treatment -0.425 0.0974 0.09 -0.605 -0.072 -0.07 -0.455 0.013434169278997 0.0132692793361416 0.0178 0.1608 3213578 Ald1-H_000269 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(c(F)c2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 N24 compound treatment -1.429 -0.907 -0.8 -1.453 -0.92 -0.88 -1.333 -0.864565830721003 -0.853954217344569 -1.4618 -0.9993 3213580 Ald1-H_000270 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O01 compound treatment -1.0 -0.478 -0.42 0.086 0.619 0.59 -0.77 -0.301565830721003 -0.297864435304432 -0.0752 -0.096 3213582 Ald1-H_000271 OCCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O02 compound treatment -0.615 -0.0926 -0.08 -0.82 -0.287 -0.27 -0.519 -0.050565830721003 -0.0499451896701972 -0.2339 -0.8074 3213584 Ald1-H_000272 OCCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O03 compound treatment -0.86 -0.338 -0.3 -1.19 -0.657 -0.63 -1.337 -0.868565830721003 -0.857905121657465 -1.0289 -0.9328 3213586 Ald1-H_000273 OCCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O04 compound treatment -0.395 0.127 0.11 -0.458 0.075 0.07 -0.877 -0.408565830721003 -0.403551125674405 -0.1267 -0.298 3213588 Ald1-H_000274 OCCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O05 compound treatment -1.74 -1.22 -1.08 -1.197 -0.664 -0.63 -0.853 -0.384565830721003 -0.379845699797028 -1.206 -0.9241 3213590 Ald1-H_000275 OCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O06 compound treatment -0.615 -0.0926 -0.08 -0.4 0.133 0.13 -0.355 0.113434169278997 0.112041887158546 0.0906 0.4822 3213592 Ald1-H_000276 OCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O07 compound treatment -0.913 -0.391 -0.35 -0.471 0.062 0.06 -0.835 -0.366565830721003 -0.362066630388995 -0.3743 -0.7429 3213594 Ald1-H_000277 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O08 compound treatment 1.068 1.59 1.36 -0.208 0.325 0.31 0.074 0.542434169278997 0.535776374716661 1.2743 0.852 3213596 Ald1-H_000278 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O09 compound treatment -0.547 -0.0246 -0.02 0.074 0.607 0.58 0.451 0.919434169278997 0.908149106207126 0.8457 0.7853 3213598 Ald1-H_000279 COc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O10 compound treatment -0.284 0.238 0.21 -0.183 0.35 0.33 -0.278 0.190434169278997 0.188096795181797 0.4228 0.9675 3213600 Ald1-H_000280 COc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O11 mock treatment 0.239 0.761 0.67 -0.306 0.227 0.22 0.09 0.558434169278997 0.551579991968246 0.832 0.9278 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O12 mock treatment -0.3 0.222 0.2 -0.083 0.45 0.43 -0.062 0.406434169278997 0.401445628078191 0.5929 0.9571 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O13 compound treatment 0.966 1.49 1.32 0.806 1.34 1.28 0.176 0.644434169278997 0.636524434695513 1.8637 0.9606 3213602 Ald1-H_000281 COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O14 compound treatment 1.046 1.57 1.36 3.807 4.34 1.79 -0.208 0.260434169278997 0.257237620657481 1.9677 0.8691 3213604 Ald1-H_000282 COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O15 compound treatment -1.326 -0.804 -0.71 -1.278 -0.745 -0.71 -1.25 -0.781565830721003 -0.771972952851973 -1.2656 -0.9992 3213606 Ald1-H_000283 Cc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O16 compound treatment 0.167 0.689 0.61 0.084 0.617 0.59 -0.486 -0.017565830721003 -0.0173502290888037 0.6813 0.8044 3213608 Ald1-H_000284 Cc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O17 compound treatment -0.013 0.509 0.45 0.733 1.27 1.21 0.916 1.384434169279 1.36744173258131 1.7459 0.9296 3213610 Ald1-H_000285 OCc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O18 compound treatment -0.346 0.176 0.16 -0.015 0.518 0.49 0.052 0.520434169278997 0.514046400995732 0.6718 0.9209 3213612 Ald1-H_000286 OCc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O19 compound treatment -0.316 0.206 0.18 -0.283 0.25 0.24 -0.173 0.295434169278997 0.291808033395322 0.4114 0.9828 3213614 Ald1-H_000287 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O20 compound treatment -0.37 0.152 0.13 -0.269 0.264 0.25 -0.242 0.226434169278997 0.223654933997863 0.3522 0.9713 3213616 Ald1-H_000288 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc3ccccc3c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O21 compound treatment -1.137 -0.615 -0.54 -1.716 -1.18 -1.13 -1.57 -1.101565830721 -1.08804529788367 -1.5925 -0.9605 3213618 Ald1-H_000289 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O22 compound treatment 0.26 0.782 0.69 0.082 0.615 0.59 0.063 0.531434169278997 0.524911387856197 1.0407 0.9935 3213620 Ald1-H_000290 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(o2)c3cccc(Cl)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O23 compound treatment 0.318 0.84 0.74 0.576 1.11 1.06 0.282 0.750434169278997 0.741223398987262 1.4669 0.985 3213622 Ald1-H_000291 ONC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 O24 compound treatment -0.373 0.149 0.13 -0.39 0.143 0.14 -0.458 0.010434169278997 0.0103061011014695 0.1609 0.8465 3213624 Ald1-H_000292 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P01 compound treatment -0.39 0.132 0.12 -0.462 0.071 0.07 -0.361 0.107434169278997 0.106115530689202 0.1679 0.977 3213626 Ald1-H_000293 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2ccc(o2)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P02 compound treatment 0.878 1.4 1.24 0.232 0.765 0.73 0.12 0.588434169278997 0.581211774314967 1.4712 0.9493 3213628 Ald1-H_000294 ONC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P03 compound treatment -0.633 -0.111 -0.1 -0.484 0.049 0.05 -0.364 0.104434169278997 0.10315235245453 0.0301 0.2012 3213630 Ald1-H_000295 Cn1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P04 compound treatment -0.197 0.325 0.29 -0.556 -0.023 -0.02 -0.309 0.159434169278997 0.157477286756852 0.2444 0.7435 3213632 Ald1-H_000296 Cn1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P05 compound treatment -0.533 -0.0106 -0.01 -0.507 0.026 0.02 -0.424 0.044434169278997 0.043888787761087 0.0343 0.6685 3213634 Ald1-H_000297 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/c2cn(Cc3ccccc3)c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P06 compound treatment -0.928 -0.406 -0.36 -1.381 -0.848 -0.81 -0.709 -0.240565830721003 -0.237613144532766 -0.8106 -0.8857 3213636 Ald1-H_000298 ONC(=O)CCCCCCC(=O)N/N=C/c1cn(Cc2ccccc2)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P07 compound treatment 0.917 1.44 1.27 -0.149 0.384 0.37 -0.544 -0.075565830721003 -0.0746383416257983 0.9029 0.6808 3213638 Ald1-H_000299 Oc1ccccc1NC(=O)CCCCCCC(=O)N/N=C/C2=CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P08 compound treatment -0.696 -0.174 -0.15 1.172 1.71 1.5 -0.333 0.135434169278997 0.133771860879475 0.8551 0.5646 3213640 Ald1-H_000300 ONC(=O)CCCCCCC(=O)N/N=C/C1=CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P09 compound treatment -0.034 0.488 0.43 -1.13 -0.597 -0.57 -0.575 -0.106565830721003 -0.105257850050744 -0.1398 -0.1937 3213642 Ald1-H_000301 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P10 compound treatment -0.583 -0.0606 -0.05 -0.71 -0.177 -0.17 -0.639 -0.170565830721003 -0.168472319057082 -0.2255 -0.9232 3213643 Ald1-H_000302 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P11 mock treatment -0.431 0.0914 0.08 -0.347 0.186 0.18 -0.282 0.186434169278997 0.184145890868901 0.2553 0.9525 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P12 mock treatment 0.537 1.06 0.94 0.368 0.901 0.86 -0.152 0.316434169278997 0.312550281038027 1.2168 0.93 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P13 compound treatment -0.773 -0.251 -0.22 -1.13 -0.597 -0.57 -1.267 -0.798565830721003 -0.788764296181782 -0.9116 -0.9141 3213644 Ald1-H_000303 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P14 compound treatment -0.546 -0.0236 -0.02 -0.155 0.378 0.36 -0.713 -0.244565830721003 -0.241564048845662 0.0564 0.13 3213646 Ald1-H_000304 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P15 compound treatment -1.143 -0.621 -0.55 -0.966 -0.433 -0.41 -1.184 -0.715565830721003 -0.706783031689186 -0.9629 -0.9774 3213648 Ald1-H_000305 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)[C@H](O)[C@@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P16 compound treatment -0.338 0.184 0.16 -0.6 -0.067 -0.06 -0.577 -0.108565830721003 -0.107233302207192 -0.0046 -0.0223 3213650 Ald1-H_000306 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCCC(=O)NO)[C@H](O)[C@@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P17 compound treatment -0.625 -0.103 -0.09 -0.89 -0.357 -0.34 0.761 1.229434169279 1.21434419045658 0.4524 0.3578 3213652 Ald1-H_000307 C/C(=N\NC(=O)CCCCCCC(=O)Nc1ccccc1O)/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P18 compound treatment -0.402 0.12 0.11 -0.082 0.451 0.43 -0.005 0.463434169278997 0.457746014536962 0.5738 0.9011 3213654 Ald1-H_000308 C/C(=N\NC(=O)CCCCCCC(=O)NO)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P19 compound treatment 1.616 2.14 1.46 1.822 2.36 1.61 2.013 2.481434169279 1.65749526235088 2.7337 0.9986 3213656 Ald1-H_000309 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P20 compound treatment 1.825 2.35 1.49 3.378 3.91 1.77 0.945 1.413434169279 1.3960857888498 2.6877 0.9949 3213658 Ald1-H_000310 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P21 compound treatment -0.12 0.402 0.36 -0.133 0.4 0.38 0.493 0.961434169278997 0.949633601492535 0.9737 0.8988 3213660 Ald1-H_000311 CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P22 compound treatment -0.23 0.292 0.26 -0.258 0.275 0.26 -0.671 -0.202565830721003 -0.200079553560252 0.185 0.4416 3213662 Ald1-H_000312 CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P23 compound treatment -0.297 0.225 0.2 -0.315 0.218 0.21 -0.365 0.103434169278997 0.102164626376306 0.294 0.9624 3213664 Ald1-H_000313 CN(CCO)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2131 P24 compound treatment 3.209 3.73 1.62 5.838 6.37 1.88 2.468 2.936434169279 1.71600164866745 3.0166 0.9981 3213666 Ald1-H_000314 CN(CCO)c1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A01 compound treatment 2.426 2.95 1.56 0.982 1.52 1.44 3.757 4.225434169279 1.82920598909786 2.7902 0.995 3213668 Ald1-H_000315 NNC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A02 compound treatment 3.845 4.37 1.66 4.69 5.22 1.84 4.636 5.104434169279 1.88122275045831 3.1086 0.9986 3213669 Ald1-H_000316 NNC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A03 compound treatment 1.071 1.59 1.36 1.095 1.63 1.48 1.0 1.468434169279 1.45041072315213 2.4804 0.9994 3213670 Ald1-H_000317 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A04 compound treatment 1.337 1.86 1.42 0.941 1.47 1.4 1.368 1.836434169279 1.54310879678576 2.5193 0.9991 3213672 Ald1-H_000318 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A05 compound treatment 0.603 1.13 1.0 1.241 1.77 1.52 0.778 1.246434169279 1.23113553378639 2.1602 0.9858 3213674 Ald1-H_000319 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A06 compound treatment 0.776 1.3 1.15 0.692 1.23 1.17 0.417 0.885434169278997 0.874566419547508 1.8415 0.9922 3213676 Ald1-H_000320 COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A07 compound treatment 1.0 1.52 1.35 0.732 1.27 1.21 0.75 1.218434169279 1.20347920359611 2.1677 0.9986 3213678 Ald1-H_000321 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A08 compound treatment 0.945 1.47 1.3 1.052 1.59 1.47 0.771 1.239434169279 1.22422145123882 2.3064 0.9969 3213680 Ald1-H_000322 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A09 compound treatment 0.481 1.0 0.89 0.672 1.21 1.15 0.632 1.100434169279 1.08692752636568 1.8025 0.9943 3213682 Ald1-H_000323 OC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A10 compound treatment 0.674 1.2 1.06 0.453 0.986 0.94 0.333 0.801434169278997 0.791597428976688 1.6101 0.9932 3213684 Ald1-H_000324 OC(=O)CCCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A11 compound treatment 4.022 4.54 1.67 3.06 3.59 1.74 2.176 2.644434169279 1.68006864945236 2.9424 0.9998 3213686 Ald1-H_000325 OC(=O)CCCCCCC(=O)N/N=C/COCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A12 compound treatment 2.712 3.23 1.59 3.556 4.09 1.78 2.256 2.724434169279 1.69044904274176 2.9186 0.9989 3213688 Ald1-H_000326 OC(=O)CCCCCC(=O)N/N=C/COCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A13 mock treatment -0.016 0.506 0.45 0.198 0.731 0.7 0.319 0.787434169278997 0.777769263881552 1.1096 0.9768 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A14 mock treatment 0.403 0.925 0.82 0.593 1.13 1.07 0.982 1.450434169279 1.43263165374409 1.9189 0.9751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A15 compound treatment 0.038 0.56 0.5 -0.081 0.452 0.43 0.068 0.536434169278997 0.529850018247317 0.8406 0.9964 3213690 Ald1-H_000327 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A16 compound treatment 0.956 1.48 1.31 2.146 2.68 1.66 0.614 1.082434169279 1.06914845695764 2.3283 0.9843 3213692 Ald1-H_000328 OC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A17 compound treatment 0.506 1.03 0.91 -0.266 0.267 0.25 0.114 0.582434169278997 0.575285417845623 1.004 0.9081 3213694 Ald1-H_000329 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A18 compound treatment 0.479 1.0 0.89 0.049 0.582 0.55 0.089 0.557434169278997 0.550592265890022 1.1492 0.9732 3213696 Ald1-H_000330 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A19 compound treatment 1.262 1.78 1.4 1.014 1.55 1.46 1.023 1.491434169279 1.45704993285888 2.496 0.9998 3213698 Ald1-H_000331 OC(=O)CCCCCCC(=O)N/N=C/c1cccc(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A20 compound treatment 1.629 2.15 1.46 1.607 2.14 1.58 2.089 2.557434169279 1.66826964556798 2.7223 0.9986 3213700 Ald1-H_000332 OC(=O)CCCCCC(=O)N/N=C/c1cccc(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A21 compound treatment 0.088 0.61 0.54 0.823 1.36 1.29 0.444 0.912434169278997 0.901235023659557 1.5778 0.9476 3213702 Ald1-H_000333 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A22 compound treatment 0.405 0.927 0.82 0.2 0.733 0.7 0.12 0.588434169278997 0.581211774314967 1.2121 0.9904 3213704 Ald1-H_000334 OC(=O)CCCCCC(=O)N/N=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A23 compound treatment -0.275 0.247 0.22 -0.422 0.111 0.11 -0.348 0.120434169278997 0.118955969706114 0.2561 0.9464 3213706 Ald1-H_000335 OC(=O)CCCCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 A24 compound treatment -0.321 0.201 0.18 -0.569 -0.036 -0.03 -0.487 -0.018565830721003 -0.0183379551670278 0.0725 0.3975 3213708 Ald1-H_000336 OC(=O)CCCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B01 compound treatment 0.276 0.798 0.71 0.494 1.03 0.98 0.278 0.746434169278997 0.737272494674366 1.3981 0.9888 3213710 Ald1-H_000337 OC(=O)CCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B02 compound treatment 0.014 0.536 0.47 -0.17 0.363 0.35 -0.242 0.226434169278997 0.223654933997863 0.6026 0.9594 3213712 Ald1-H_000338 OC(=O)CCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B03 compound treatment 0.651 1.17 1.04 0.597 1.13 1.08 0.472 0.940434169278997 0.928891353849831 1.7568 0.9981 3213714 Ald1-H_000339 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B04 compound treatment 0.471 0.993 0.88 0.135 0.668 0.64 0.286 0.754434169278997 0.745174303300158 1.3048 0.9915 3213716 Ald1-H_000340 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B05 compound treatment 0.387 0.909 0.8 0.344 0.877 0.84 -0.094 0.374434169278997 0.369838393575022 1.1601 0.9532 3213718 Ald1-H_000341 OC(=O)CCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B06 compound treatment 0.089 0.611 0.54 0.441 0.974 0.93 0.139 0.607434169278997 0.599978569801224 1.1942 0.9708 3213720 Ald1-H_000342 OC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B07 compound treatment 0.113 0.635 0.56 0.032 0.565 0.54 -0.143 0.325434169278997 0.321439815742043 0.8207 0.9749 3213722 Ald1-H_000343 OC(=O)CCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B08 compound treatment -0.081 0.441 0.39 -0.343 0.19 0.18 -0.349 0.119434169278997 0.11796824362789 0.398 0.8921 3213724 Ald1-H_000344 OC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B09 compound treatment 0.41 0.932 0.82 0.348 0.881 0.84 0.623 1.091434169279 1.07803799166166 1.5829 0.992 3213726 Ald1-H_000345 OC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B10 compound treatment 0.254 0.776 0.69 0.474 1.01 0.96 0.268 0.736434169278997 0.727395233892126 1.3702 0.9887 3213728 Ald1-H_000346 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B11 compound treatment 0.568 1.09 0.96 1.012 1.55 1.46 1.242 1.710434169279 1.51432418528695 2.2758 0.9826 3213730 Ald1-H_000347 OC(=O)CCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B12 compound treatment 1.436 1.96 1.43 1.812 2.35 1.61 2.293 2.761434169279 1.69510657421973 2.7379 0.9976 3213732 Ald1-H_000348 OC(=O)CCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B13 mock treatment 0.162 0.684 0.61 -0.169 0.364 0.35 0.298 0.766434169278997 0.757027016238847 0.9867 0.9585 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B14 mock treatment -0.351 0.171 0.15 -0.202 0.331 0.32 -0.055 0.413434169278997 0.408359710625759 0.5054 0.9397 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B15 compound treatment 0.449 0.971 0.86 0.71 1.24 1.18 0.151 0.619434169278997 0.611831282739912 1.5328 0.9667 3213734 Ald1-H_000349 OC(=O)CCCCCC(=O)N/N=C/c1ccc(I)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B16 compound treatment 0.747 1.27 1.12 0.556 1.09 1.04 0.387 0.855434169278997 0.844934637200787 1.7348 0.9934 3213736 Ald1-H_000350 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(I)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B17 compound treatment 3.645 4.17 1.65 2.379 2.91 1.68 1.338 1.806434169279 1.53649689423681 2.8121 0.9993 3213738 Ald1-H_000351 C/C=C(/C)\C=N\NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B18 compound treatment 3.161 3.68 1.62 2.845 3.38 1.73 1.919 2.387434169279 1.64351784118769 2.8812 0.9996 3213740 Ald1-H_000352 C/C=C(/C)\C=N\NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B19 compound treatment 1.596 2.12 1.46 0.892 1.43 1.36 1.229 1.697434169279 1.51119593057241 2.499 0.999 3213742 Ald1-H_000353 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B20 compound treatment 0.593 1.12 0.99 1.015 1.55 1.46 1.906 2.374434169279 1.64152483619488 2.3625 0.98 3213744 Ald1-H_000354 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B21 compound treatment 3.607 4.13 1.65 3.0 3.53 1.74 3.525 3.993434169279 1.81279306351094 3.0029 0.9993 3213746 Ald1-H_000355 Cc1ccc(/C=N/NC(=O)CCCCCC(=O)O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B22 compound treatment 2.826 3.35 1.6 3.566 4.1 1.78 3.733 4.201434169279 1.82756901970758 3.0036 0.9983 3213748 Ald1-H_000356 Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B23 compound treatment 0.645 1.17 1.03 0.931 1.46 1.39 0.567 1.035434169279 1.02272533128111 1.9916 0.9888 3213750 Ald1-H_000357 Cc1[nH]cnc1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 B24 compound treatment 8.217 8.74 1.81 1.157 1.69 1.5 1.449 1.917434169279 1.56026587820767 2.8085 0.9966 3213752 Ald1-H_000358 Cc1[nH]cnc1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C01 compound treatment 0.278 0.8 0.71 0.5 1.03 0.98 0.333 0.801434169278997 0.791597428976688 1.4338 0.9904 3213754 Ald1-H_000359 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C02 compound treatment -0.362 0.16 0.14 0.063 0.596 0.57 0.138 0.606434169278997 0.598990843723 0.7556 0.9022 3213756 Ald1-H_000360 OC(=O)CCCCCC(=O)N/N=C/c1ccc(Br)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C03 compound treatment -0.171 0.351 0.31 -0.427 0.106 0.1 0.0 0.468434169278997 0.462684644928082 0.5048 0.8913 3213758 Ald1-H_000361 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C04 compound treatment 0.016 0.538 0.48 0.048 0.581 0.55 -0.033 0.435434169278997 0.430089684346688 0.8427 0.9946 3213760 Ald1-H_000362 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C05 compound treatment -0.166 0.356 0.32 -0.052 0.481 0.46 0.016 0.484434169278997 0.478488262179666 0.7228 0.9852 3213762 Ald1-H_000363 OC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C06 compound treatment 0.104 0.626 0.55 0.056 0.589 0.56 0.055 0.523434169278997 0.517009579230404 0.9422 0.9994 3213764 Ald1-H_000364 OC(=O)CCCCCC(=O)N/N=C/c1cc(O)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C07 compound treatment 0.763 1.29 1.14 -0.213 0.32 0.3 0.027 0.495434169278997 0.489353249040131 1.1147 0.8747 3213766 Ald1-H_000365 COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C08 compound treatment -0.029 0.493 0.44 0.322 0.855 0.81 0.82 1.288434169279 1.2726200290718 1.4569 0.9264 3213768 Ald1-H_000366 COc1cc(Br)cc(/C=N/NC(=O)CCCCCC(=O)O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C09 compound treatment 0.967 1.49 1.32 1.106 1.64 1.49 0.867 1.335434169279 1.31904315474833 2.3798 0.9983 3213770 Ald1-H_000367 COc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C10 compound treatment 0.7 1.22 1.08 0.885 1.42 1.35 0.712 1.180434169279 1.1659456126236 2.0771 0.9956 3213772 Ald1-H_000368 COc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C11 mock treatment -0.193 0.329 0.29 0.15 0.683 0.65 -0.194 0.274434169278997 0.271065785752617 0.7003 0.9182 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C12 mock treatment -0.242 0.28 0.25 -0.065 0.468 0.45 0.063 0.531434169278997 0.524911387856197 0.7036 0.9613 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C13 compound treatment -0.16 0.362 0.32 0.533 1.07 1.02 0.313 0.781434169278997 0.771842907412208 1.217 0.9253 3213774 Ald1-H_000369 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C14 compound treatment -0.08 0.442 0.39 0.274 0.807 0.77 0.232 0.700434169278997 0.69183709507606 1.0692 0.9669 3213776 Ald1-H_000370 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C15 mock treatment -0.048 0.474 0.42 -0.151 0.382 0.36 -0.114 0.354434169278997 0.350083872010541 0.6544 0.9969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C16 mock treatment -0.5 0.0224 0.02 -0.778 -0.245 -0.23 -0.629 -0.160565830721003 -0.158595058274842 -0.2148 -0.7596 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C17 compound treatment 0.678 1.2 1.06 0.532 1.07 1.01 0.683 1.151434169279 1.1373015563551 1.8552 0.9989 3213778 Ald1-H_000371 OC(=O)CCCCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C18 compound treatment 0.857 1.38 1.22 0.658 1.19 1.13 0.873 1.341434169279 1.32496951121767 2.1242 0.998 3213780 Ald1-H_000372 OC(=O)CCCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C19 compound treatment 0.478 1.0 0.88 -0.123 0.41 0.39 -0.253 0.215434169278997 0.212789947137399 0.859 0.8677 3213782 Ald1-H_000373 OC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C20 compound treatment -0.321 0.201 0.18 0.059 0.592 0.56 -0.578 -0.109565830721003 -0.108221028285416 0.366 0.6087 3213784 Ald1-H_000374 OC(=O)CCCCCC(=O)N/N=C/c1cccnc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C21 compound treatment -0.375 0.147 0.13 0.329 0.862 0.82 0.426 0.894434169278997 0.883455954251524 1.0595 0.8733 3213786 Ald1-H_000375 OC(=O)CCCCCCC(=O)N/N=C/c1ccncc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C22 compound treatment 0.718 1.24 1.1 1.444 1.98 1.55 0.553 1.021434169279 1.00889716618598 2.1132 0.9813 3213788 Ald1-H_000376 OC(=O)CCCCCC(=O)N/N=C/c1ccncc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C23 compound treatment 0.348 0.87 0.77 0.871 1.4 1.34 0.333 0.801434169278997 0.791597428976688 1.6736 0.965 3213790 Ald1-H_000377 OC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 C24 compound treatment 0.416 0.938 0.83 0.165 0.698 0.66 0.362 0.830434169278997 0.820241485245186 1.3365 0.9952 3213792 Ald1-H_000378 OC(=O)CCCCCC(=O)N/N=C/c1cc(Br)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D01 compound treatment 0.435 0.957 0.85 1.92 2.45 1.63 1.532 2.000434169279 1.57686903529074 2.3392 0.9668 3213794 Ald1-H_000379 Cc1ccsc1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D02 compound treatment 0.266 0.788 0.7 0.655 1.19 1.13 0.435 0.903434169278997 0.892345488955541 1.5711 0.9813 3213796 Ald1-H_000380 Cc1ccsc1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D03 compound treatment 1.22 1.74 1.39 1.025 1.56 1.47 0.826 1.294434169279 1.27854638554114 2.3897 0.9984 3213798 Ald1-H_000381 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D04 compound treatment 0.115 0.637 0.56 0.908 1.44 1.37 -0.032 0.436434169278997 0.431077410424912 1.3669 0.8845 3213800 Ald1-H_000382 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D05 compound treatment 1.246 1.77 1.4 0.604 1.14 1.08 -0.029 0.439434169278997 0.434040588659584 1.6837 0.9242 3213802 Ald1-H_000383 OC(=O)CCCCCC(=O)N/N=C/c1cccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D06 compound treatment 0.243 0.765 0.68 0.671 1.2 1.15 -0.217 0.251434169278997 0.248348085953464 1.1963 0.8831 3213804 Ald1-H_000384 OC(=O)CCCCCCC(=O)N/N=C/c1cccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D07 compound treatment 0.553 1.08 0.95 0.324 0.857 0.82 2.458 2.926434169279 1.71485536701116 2.0104 0.9465 3213806 Ald1-H_000385 COc1cc(/C=N/NC(=O)CCCCCC(=O)O)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D08 compound treatment -0.25 0.272 0.24 -0.089 0.444 0.42 -0.262 0.206434169278997 0.203900412433382 0.501 0.9493 3213808 Ald1-H_000386 COc1cc(/C=N/NC(=O)CCCCCCC(=O)O)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D09 compound treatment 0.189 0.711 0.63 0.1 0.633 0.6 1.104 1.572434169279 1.47942946876793 1.5655 0.9118 3213810 Ald1-H_000387 OC(=O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D10 compound treatment 0.102 0.624 0.55 0.014 0.547 0.52 -0.329 0.139434169278997 0.137722765192371 0.6991 0.9061 3213812 Ald1-H_000388 OC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D11 mock treatment -0.682 -0.16 -0.14 -0.143 0.39 0.37 -0.257 0.211434169278997 0.208839042824502 0.2537 0.565 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D12 mock treatment -0.338 0.184 0.16 -0.135 0.398 0.38 -0.2 0.268434169278997 0.265139429283273 0.4662 0.9502 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D13 compound treatment 0.737 1.26 1.11 0.041 0.574 0.55 -0.236 0.232434169278997 0.229581290467207 1.0911 0.8649 3213814 Ald1-H_000389 OC(=O)CCCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D14 compound treatment 0.479 1.0 0.89 0.546 1.08 1.03 -0.378 0.090434169278997 0.089324187359393 1.1562 0.8504 3213816 Ald1-H_000390 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D15 mock treatment -0.255 0.267 0.24 0.612 1.15 1.09 0.05 0.518434169278997 0.512070948839284 1.062 0.8648 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D16 mock treatment 0.194 0.716 0.63 2.071 2.6 1.65 0.188 0.656434169278997 0.648377147634202 1.6912 0.8994 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D17 compound treatment -0.382 0.14 0.12 -0.448 0.085 0.08 0.141 0.609434169278997 0.601954021957672 0.466 0.7517 3213818 Ald1-H_000391 OC(=O)CCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D18 compound treatment 0.593 1.12 0.99 -0.075 0.458 0.44 -0.366 0.102434169278997 0.101176900298082 0.8797 0.8122 3213820 Ald1-H_000392 OC(=O)CCCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D19 compound treatment 1.427 1.95 1.43 1.709 2.24 1.6 0.827 1.295434169279 1.27953411161937 2.4884 0.9959 3213822 Ald1-H_000393 OC(=O)CCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D20 compound treatment 4.178 4.7 1.68 3.049 3.58 1.74 0.647 1.115434169279 1.10174341753904 2.6125 0.9822 3213824 Ald1-H_000394 OC(=O)CCCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D21 compound treatment 2.155 2.68 1.53 1.63 2.16 1.59 0.188 0.656434169278997 0.648377147634202 2.1747 0.9461 3213826 Ald1-H_000395 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D22 compound treatment 0.892 1.41 1.25 1.231 1.76 1.51 1.207 1.675434169279 1.5058299091415 2.4652 0.9963 3213828 Ald1-H_000396 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D23 compound treatment 0.0 0.522 0.46 0.313 0.846 0.81 -0.211 0.257434169278997 0.254274442422808 0.8788 0.9125 3213830 Ald1-H_000397 OC(=O)CCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 D24 compound treatment 0.569 1.09 0.96 0.338 0.871 0.83 0.282 0.750434169278997 0.741223398987262 1.4641 0.9941 3213832 Ald1-H_000398 OC(=O)CCCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E01 mock treatment -0.074 0.448 0.4 0.165 0.698 0.66 0.122 0.590434169278997 0.583187226471415 0.9495 0.9796 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E02 mock treatment 0.099 0.621 0.55 0.305 0.838 0.8 0.127 0.595434169278997 0.588125856862535 1.1177 0.9859 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E03 compound treatment 0.247 0.769 0.68 0.647 1.18 1.12 0.431 0.899434169278997 0.888394584642645 1.5547 0.9802 3213834 Ald1-H_000399 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)s1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E04 compound treatment 0.769 1.29 1.14 1.42 1.95 1.55 0.592 1.060434169279 1.04741848323672 2.159 0.985 3213836 Ald1-H_000400 OC(=O)CCCCCC(=O)N/N=C/c1ccc(Br)s1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E05 compound treatment 0.364 0.886 0.78 0.203 0.736 0.7 0.479 0.947434169278997 0.935805436397399 1.3976 0.9928 3213838 Ald1-H_000401 COc1cc(/C=N/NC(=O)CCCCCCC(=O)O)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E06 compound treatment 0.5 1.02 0.9 0.305 0.838 0.8 0.436 0.904434169278997 0.893333215033765 1.4986 0.9985 3213840 Ald1-H_000402 COc1cc(/C=N/NC(=O)CCCCCC(=O)O)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E07 compound treatment 0.083 0.605 0.54 0.141 0.674 0.64 -0.095 0.373434169278997 0.368850667496798 0.8927 0.977 3213842 Ald1-H_000403 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E08 compound treatment 0.61 1.13 1.0 0.456 0.989 0.94 0.395 0.863434169278997 0.852836445826579 1.6144 0.9979 3213844 Ald1-H_000404 OC(=O)CCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E09 mock treatment -0.224 0.298 0.26 -0.368 0.165 0.16 0.456 0.924434169278997 0.913087736598246 0.7703 0.7996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E10 mock treatment 0.556 1.08 0.95 0.455 0.988 0.94 0.136 0.604434169278997 0.597015391566552 1.4386 0.9808 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E11 compound treatment 5.6 6.12 1.74 3.938 4.47 1.8 4.274 4.742434169279 1.86149811132718 3.1187 0.9996 3213846 Ald1-H_000405 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E12 compound treatment 3.157 3.68 1.62 2.603 3.14 1.7 2.716 3.184434169279 1.74277251770905 2.9259 0.9995 3213848 Ald1-H_000406 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E13 compound treatment 1.547 2.07 1.45 1.576 2.11 1.58 2.241 2.709434169279 1.68853549121026 2.7238 0.9981 3213850 Ald1-H_000407 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E14 compound treatment 2.048 2.57 1.52 3.067 3.6 1.74 1.865 2.333434169279 1.63513925046703 2.8287 0.9984 3213852 Ald1-H_000408 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E15 compound treatment -0.25 0.272 0.24 -0.186 0.347 0.33 -0.183 0.285434169278997 0.281930772613082 0.4927 0.9918 3213854 Ald1-H_000409 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E16 compound treatment 0.0 0.522 0.46 -0.346 0.187 0.18 0.1 0.568434169278997 0.561457252750486 0.6937 0.9267 3213856 Ald1-H_000410 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E17 mock treatment -0.042 0.48 0.42 -0.237 0.296 0.28 0.067 0.535434169278997 0.528862292169093 0.7134 0.9711 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E18 mock treatment 0.079 0.601 0.53 0.11 0.643 0.61 0.309 0.777434169278997 0.767892003099311 1.104 0.9884 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E19 compound treatment 0.033 0.555 0.49 -0.083 0.45 0.43 -0.07 0.398434169278997 0.393543819452399 0.7583 0.9958 3213858 Ald1-H_000411 OC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E20 compound treatment 0.117 0.639 0.57 -0.085 0.448 0.43 0.262 0.730434169278997 0.721468877422781 0.9894 0.9785 3213860 Ald1-H_000412 OC(=O)CCCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E21 compound treatment -0.164 0.358 0.32 -0.308 0.225 0.21 0.0 0.468434169278997 0.462684644928082 0.5739 0.9558 3213862 Ald1-H_000413 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E22 compound treatment -0.333 0.189 0.17 -0.095 0.438 0.42 -0.048 0.420434169278997 0.415273793173328 0.5774 0.9433 3213864 Ald1-H_000414 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E23 compound treatment 0.227 0.749 0.66 0.062 0.595 0.57 0.215 0.683434169278997 0.675045751746251 1.0996 0.9971 3213866 Ald1-H_000415 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 E24 compound treatment 0.02 0.542 0.48 0.164 0.697 0.66 -0.145 0.323434169278997 0.319464363585595 0.8447 0.9608 3213868 Ald1-H_000416 OC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F01 mock treatment -0.343 0.179 0.16 -0.273 0.26 0.25 -0.187 0.281434169278997 0.277979868300185 0.3951 0.9762 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F02 mock treatment -0.4 0.122 0.11 -0.183 0.35 0.33 -0.225 0.243434169278997 0.240446277327672 0.3939 0.9264 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F03 compound treatment 0.028 0.55 0.49 0.13 0.663 0.63 -0.141 0.327434169278997 0.323415267898492 0.8324 0.9673 3213870 Ald1-H_000417 OC(=O)CCCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F04 compound treatment -0.485 0.0374 0.03 0.135 0.668 0.64 -0.027 0.441434169278997 0.436016040816033 0.6383 0.8266 3213872 Ald1-H_000418 OC(=O)CCCCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F05 compound treatment 0.616 1.14 1.01 0.114 0.647 0.62 -0.121 0.347434169278997 0.343169789462972 1.1351 0.9235 3213874 Ald1-H_000419 OC(=O)CCCCCC(=O)N/N=C/c1ccccn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F06 compound treatment 0.525 1.05 0.93 0.635 1.17 1.11 0.6 1.068434169279 1.05532029186251 1.7864 0.9971 3213876 Ald1-H_000420 OC(=O)CCCCCCC(=O)N/N=C/c1ccccn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F07 compound treatment 1.132 1.65 1.38 1.175 1.71 1.5 0.979 1.447434169279 1.42966847550942 2.4866 0.9994 3213878 Ald1-H_000421 OC(=O)CCCCCC(=O)N/N=C/c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F08 compound treatment 0.97 1.49 1.32 0.841 1.37 1.31 1.028 1.496434169279 1.4584760078165 2.3596 0.9988 3213880 Ald1-H_000422 OC(=O)CCCCCCC(=O)N/N=C/c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F09 mock treatment 0.714 1.24 1.09 0.342 0.875 0.83 0.703 1.171434169279 1.15705607791958 1.7804 0.9909 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F10 mock treatment 0.472 0.994 0.88 0.256 0.789 0.75 0.129 0.597434169278997 0.590101309018984 1.2823 0.9875 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F11 compound treatment 2.032 2.55 1.52 2.441 2.97 1.69 1.809 2.277434169279 1.62616342513644 2.7904 0.999 3213882 Ald1-H_000423 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCC(=O)O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F12 compound treatment 2.634 3.16 1.58 1.883 2.42 1.62 2.49 2.958434169279 1.71850415975366 2.8412 0.9994 3213884 Ald1-H_000424 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F13 compound treatment 2.123 2.65 1.53 2.506 3.04 1.7 2.538 3.006434169279 1.72387393697805 2.8566 0.9986 3213886 Ald1-H_000425 OC(=O)CCCCCC(=O)N/N=C/c1ccc[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F14 compound treatment 1.253 1.78 1.4 1.784 2.32 1.61 2.034 2.502434169279 1.66051782353759 2.6964 0.9974 3213888 Ald1-H_000426 OC(=O)CCCCCCC(=O)N/N=C/c1ccc[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F15 compound treatment 2.389 2.91 1.56 2.451 2.98 1.69 1.817 2.285434169279 1.62746416658251 2.8139 0.9994 3213890 Ald1-H_000427 OC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F16 compound treatment 2.186 2.71 1.54 2.222 2.76 1.67 2.169 2.637434169279 1.6791394692024 2.8175 0.9992 3213892 Ald1-H_000428 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F17 mock treatment 0.416 0.938 0.83 0.041 0.574 0.55 0.245 0.713434169278997 0.704677534092973 1.2016 0.9864 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F18 mock treatment -0.11 0.412 0.36 -0.164 0.369 0.35 0.054 0.522434169278997 0.51602185315218 0.7114 0.9839 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F19 compound treatment 0.754 1.28 1.13 0.537 1.07 1.02 0.466 0.934434169278997 0.922964997380486 1.773 0.9967 3213894 Ald1-H_000429 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F20 compound treatment 1.233 1.76 1.4 0.647 1.18 1.12 0.732 1.200434169279 1.18570013418808 2.1399 0.9956 3213896 Ald1-H_000430 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F21 compound treatment 4.97 5.49 1.72 2.907 3.44 1.73 3.587 4.055434169279 1.81731160475732 3.0393 0.9997 3213898 Ald1-H_000431 CCCCCCC/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F22 compound treatment 4.383 4.91 1.69 2.613 3.15 1.71 4.575 5.043434169279 1.87804337653725 3.0449 0.9988 3213900 Ald1-H_000432 CCCCCCC/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F23 compound treatment 1.533 2.06 1.45 2.37 2.9 1.68 1.473 1.941434169279 1.56516449297123 2.7114 0.9982 3213902 Ald1-H_000433 OC(=O)CCCCCC(=O)N/N=C/c1nccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 F24 compound treatment 1.131 1.65 1.38 0.87 1.4 1.34 0.958 1.426434169279 1.40892622786672 2.3793 0.9998 3213904 Ald1-H_000434 OC(=O)CCCCCCC(=O)N/N=C/c1nccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G01 compound treatment 0.53 1.05 0.93 0.004 0.537 0.51 0.5 0.968434169278997 0.956547684040104 1.3849 0.969 3213906 Ald1-H_000435 OC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G02 compound treatment 0.071 0.593 0.52 0.768 1.3 1.24 0.864 1.332434169279 1.31607997651366 1.7783 0.9447 3213908 Ald1-H_000436 OC(=O)CCCCCC(=O)N/N=C/c1ccccc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G03 mock treatment -0.321 0.201 0.18 0.034 0.567 0.54 -0.125 0.343434169278997 0.339218885150076 0.6106 0.9219 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G04 mock treatment -0.379 0.143 0.13 0.0 0.533 0.51 -0.154 0.314434169278997 0.310574828881579 0.5457 0.8967 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G05 compound treatment 0.684 1.21 1.07 0.361 0.894 0.85 0.212 0.680434169278997 0.672082573511579 1.4956 0.983 3213910 Ald1-H_000437 OC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G06 compound treatment 0.462 0.984 0.87 0.456 0.989 0.94 0.387 0.855434169278997 0.844934637200787 1.5343 0.9989 3213912 Ald1-H_000438 OC(=O)CCCCCC(=O)N/N=C/c1cccnc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G07 compound treatment 1.373 1.9 1.42 0.272 0.805 0.77 0.295 0.763434169278997 0.754063838004175 1.6996 0.9529 3213914 Ald1-H_000439 OC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G08 compound treatment -0.23 0.292 0.26 0.161 0.694 0.66 -0.113 0.355434169278997 0.351071598088765 0.7337 0.9264 3213916 Ald1-H_000440 OC(=O)CCCCCC(=O)N/N=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G09 compound treatment 2.291 2.81 1.55 9.165 9.7 1.97 6.382 6.850434169279 1.95391107655882 3.1575 0.9943 3213918 Ald1-H_000441 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G10 compound treatment 3.466 3.99 1.64 9.681 10.2 1.98 3.203 3.671434169279 1.78758910412308 3.1212 0.9971 3213920 Ald1-H_000442 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G11 compound treatment 6.729 7.25 1.77 13.265 13.8 2.03 6.308 6.776434169279 1.95139410909557 3.3208 0.9984 3213922 Ald1-H_000443 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G12 compound treatment 7.382 7.9 1.79 11.198 11.7 2.0 8.443 8.911434169279 2.01134375770448 3.3495 0.9986 3213923 Ald1-H_000444 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G13 compound treatment 0.593 1.12 0.99 0.524 1.06 1.01 0.125 0.593434169278997 0.586150404706087 1.4892 0.9756 3213924 Ald1-H_000445 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G14 compound treatment 1.646 2.17 1.47 1.348 1.88 1.54 1.235 1.703434169279 1.5126436249587 2.6077 0.9998 3213926 Ald1-H_000446 OC(=O)CCCCCC(=O)N/N=C/c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G15 compound treatment 4.09 4.61 1.68 2.326 2.86 1.68 2.176 2.644434169279 1.68006864945236 2.9057 1.0 3213928 Ald1-H_000447 OC(=O)CCCCCCC(=O)N/N=C/C1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G16 compound treatment 1.806 2.33 1.49 2.91 3.44 1.73 2.362 2.830434169279 1.70356226771642 2.8434 0.9978 3213930 Ald1-H_000448 OC(=O)CCCCCC(=O)N/N=C/C1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G17 compound treatment 1.085 1.61 1.37 1.047 1.58 1.47 1.0 1.468434169279 1.45041072315213 2.4757 0.9995 3213932 Ald1-H_000449 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G18 compound treatment 0.561 1.08 0.96 0.573 1.11 1.05 0.4 0.868434169278997 0.857775076217699 1.6566 0.9965 3213934 Ald1-H_000450 COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G19 mock treatment 0.055 0.577 0.51 0.228 0.761 0.73 0.437 0.905434169278997 0.894320941111989 1.2297 0.9764 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G20 mock treatment 1.196 1.72 1.39 -0.132 0.401 0.38 -0.143 0.325434169278997 0.321439815742043 1.2081 0.8185 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G21 compound treatment 4.035 4.56 1.67 -0.055 0.478 0.46 0.041 0.509434169278997 0.503181414135268 1.5195 0.8415 3213936 Ald1-H_000451 OC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G22 compound treatment -0.069 0.453 0.4 0.304 0.837 0.8 -0.118 0.350434169278997 0.346132967697645 0.8917 0.9315 3213938 Ald1-H_000452 OC(=O)CCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G23 compound treatment 2.367 2.89 1.55 3.72 4.25 1.79 2.212 2.680434169279 1.6847935091151 2.903 0.9984 3213940 Ald1-H_000453 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 G24 compound treatment 1.372 1.89 1.42 3.114 3.65 1.75 2.988 3.456434169279 1.76891918780064 2.8517 0.9954 3213942 Ald1-H_000454 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H01 compound treatment 0.373 0.895 0.79 0.021 0.554 0.53 0.636 1.104434169279 1.09087843067857 1.3916 0.9614 3213944 Ald1-H_000455 OC(=O)CCCCCC(=O)N/N=C/c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H02 compound treatment 0.608 1.13 1.0 0.211 0.744 0.71 1.585 2.053434169279 1.58699364151858 1.9025 0.9489 3213946 Ald1-H_000456 OC(=O)CCCCCCC(=O)N/N=C/c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H03 mock treatment -0.157 0.365 0.32 -0.138 0.395 0.38 -0.091 0.377434169278997 0.372801571809694 0.6191 0.9977 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H04 mock treatment 0.489 1.01 0.89 0.07 0.603 0.57 -0.042 0.426434169278997 0.421200149642672 1.0911 0.9544 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H05 compound treatment -0.351 0.171 0.15 -0.361 0.172 0.16 0.375 0.843434169278997 0.833081924262098 0.6631 0.7689 3213948 Ald1-H_000457 OC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H06 compound treatment 0.0 0.522 0.46 -0.165 0.368 0.35 -0.264 0.204434169278997 0.201924960276934 0.5857 0.9538 3213950 Ald1-H_000458 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H07 compound treatment 2.316 2.84 1.55 1.549 2.08 1.57 0.793 1.261434169279 1.24595142495975 2.5219 0.9948 3213952 Ald1-H_000459 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H08 compound treatment 3.118 3.64 1.62 0.777 1.31 1.25 0.954 1.422434169279 1.40497532355382 2.4656 0.9944 3213954 Ald1-H_000460 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H09 compound treatment 3.132 3.65 1.62 2.438 2.97 1.69 1.708 2.176434169279 1.6091835482362 2.8384 0.9998 3213956 Ald1-H_000461 OC(=O)CCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H10 compound treatment 3.883 4.41 1.67 4.642 5.18 1.84 2.337 2.805434169279 1.70053242855025 3.0042 0.9991 3213958 Ald1-H_000462 OC(=O)CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H11 compound treatment 0.898 1.42 1.26 1.281 1.81 1.52 2.062 2.530434169279 1.66449350406601 2.5657 0.9935 3213960 Ald1-H_000463 COc1cc(OC)c(/C=N/NC(=O)CCCCCC(=O)O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H12 compound treatment 0.122 0.644 0.57 2.13 2.66 1.65 0.907 1.375434169279 1.35855219787729 2.0686 0.9337 3213962 Ald1-H_000464 COc1cc(OC)c(/C=N/NC(=O)CCCCCCC(=O)O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H13 compound treatment 0.214 0.736 0.65 -0.18 0.353 0.34 -0.014 0.454434169278997 0.448856479832945 0.8292 0.9649 3213964 Ald1-H_000465 COc1cc(/C=N/NC(=O)CCCCCC(=O)O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H14 compound treatment 0.372 0.894 0.79 0.517 1.05 1.0 0.529 0.997434169278997 0.985191740308601 1.6029 0.9947 3213966 Ald1-H_000466 COc1cc(/C=N/NC(=O)CCCCCCC(=O)O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H15 compound treatment 3.351 3.87 1.63 1.395 1.93 1.55 2.09 2.558434169279 1.66840843559296 2.7988 0.9995 3213968 Ald1-H_000467 CC(C)(C)/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H16 compound treatment 2.463 2.99 1.56 2.981 3.51 1.74 2.907 3.375434169279 1.76144835632518 2.9229 0.9986 3213970 Ald1-H_000468 CC(C)(C)/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H17 compound treatment 4.236 4.76 1.68 3.215 3.75 1.76 4.783 5.251434169279 1.8886631925146 3.0757 0.9989 3213972 Ald1-H_000469 CC1=C(C/C=N/NC(=O)CCCCCC(=O)O)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H18 compound treatment 5.343 5.87 1.73 3.421 3.95 1.77 1.638 2.106434169279 1.59677080530568 2.9422 0.9991 3213974 Ald1-H_000470 CC1=C(C/C=N/NC(=O)CCCCCCC(=O)O)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H19 mock treatment 0.905 1.43 1.26 0.504 1.04 0.99 0.0 0.468434169278997 0.462684644928082 1.5661 0.9388 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H20 mock treatment 0.464 0.986 0.87 -0.197 0.336 0.32 0.385 0.853434169278997 0.842959185044339 1.175 0.9367 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H21 compound treatment -0.329 0.193 0.17 -0.447 0.086 0.08 -0.298 0.170434169278997 0.168342273617317 0.2433 0.9593 3213976 Ald1-H_000471 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H22 compound treatment -0.023 0.499 0.44 -0.354 0.179 0.17 -0.153 0.315434169278997 0.311562554959803 0.5333 0.9411 3213978 Ald1-H_000472 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H23 compound treatment 0.085 0.607 0.54 0.508 1.04 0.99 0.116 0.584434169278997 0.577260870002071 1.2159 0.9597 3213980 Ald1-H_000473 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 H24 compound treatment 0.735 1.26 1.11 0.519 1.05 1.0 -0.326 0.142434169278997 0.140685943427043 1.3017 0.8659 3213982 Ald1-H_000474 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I01 compound treatment 0.035 0.557 0.49 0.377 0.91 0.87 0.703 1.171434169279 1.15705607791958 1.4531 0.9513 3213984 Ald1-H_000475 COc1cc(Cl)c(/C=N/NC(=O)CCCCCCC(=O)O)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I02 compound treatment 0.524 1.05 0.93 0.763 1.3 1.23 0.586 1.054434169279 1.04149212676737 1.8483 0.9929 3213986 Ald1-H_000476 COc1cc(Cl)c(/C=N/NC(=O)CCCCCC(=O)O)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I03 compound treatment 0.382 0.904 0.8 0.319 0.852 0.81 0.274 0.742434169278997 0.73332159036147 1.3537 0.999 3213988 Ald1-H_000477 OC(=O)CCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I04 compound treatment 0.277 0.799 0.71 0.679 1.21 1.15 0.481 0.949434169278997 0.937780888553847 1.6161 0.9813 3213990 Ald1-H_000478 OC(=O)CCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I05 mock treatment -0.219 0.303 0.27 0.936 1.47 1.4 -0.137 0.331434169278997 0.327366172211388 1.1519 0.7878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I06 mock treatment -0.359 0.163 0.14 0.168 0.701 0.67 -0.132 0.336434169278997 0.332304802602508 0.6609 0.8698 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I07 compound treatment 0.022 0.544 0.48 0.269 0.802 0.76 0.404 0.872434169278997 0.861725980530595 1.2166 0.9746 3213992 Ald1-H_000479 OC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I08 compound treatment -0.115 0.407 0.36 0.016 0.549 0.52 0.073 0.541434169278997 0.534788648638437 0.8187 0.9861 3213994 Ald1-H_000480 OC(=O)CCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I09 compound treatment 2.577 3.1 1.57 3.778 4.31 1.79 3.145 3.613434169279 1.78270986821056 2.973 0.9983 3213996 Ald1-H_000481 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I10 compound treatment 2.08 2.6 1.52 3.25 3.78 1.76 4.1 4.568434169279 1.85122256200289 2.9634 0.9968 3213998 Ald1-H_000482 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCC(=O)O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I11 compound treatment 0.483 1.01 0.89 0.811 1.34 1.28 0.692 1.160434169279 1.14619109105912 1.9142 0.9894 3214000 Ald1-H_000483 OC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I12 compound treatment 1.75 2.27 1.48 0.838 1.37 1.31 1.217 1.685434169279 1.50828035585037 2.4805 0.998 3214002 Ald1-H_000484 OC(=O)CCCCCC(=O)N/N=C/c1ccc2OCCc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I13 compound treatment 1.036 1.56 1.35 1.169 1.7 1.5 1.614 2.082434169279 1.59238520830389 2.5675 0.9978 3214004 Ald1-H_000485 OC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I14 compound treatment 2.329 2.85 1.55 2.468 3.0 1.69 2.293 2.761434169279 1.69510657421973 2.8505 0.9992 3214006 Ald1-H_000486 OC(=O)CCCCCC(=O)N/N=C/c1cccc(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I15 compound treatment 0.671 1.19 1.06 0.29 0.823 0.78 0.55 1.018434169279 1.00593398795131 1.6426 0.9924 3214008 Ald1-H_000487 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I16 compound treatment -0.125 0.397 0.35 0.241 0.774 0.74 0.1 0.568434169278997 0.561457252750486 0.9528 0.9612 3214010 Ald1-H_000488 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I17 compound treatment 1.95 2.47 1.51 0.4 0.933 0.89 0.213 0.681434169278997 0.673070299589803 1.7726 0.9451 3214012 Ald1-H_000489 OC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I18 compound treatment 1.164 1.69 1.38 0.691 1.22 1.17 0.48 0.948434169278997 0.936793162475623 2.0123 0.988 3214014 Ald1-H_000490 OC(=O)CCCCCC(=O)N/N=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I19 compound treatment 2.009 2.53 1.52 1.843 2.38 1.62 2.071 2.539434169279 1.66575842669375 2.7706 0.9992 3214016 Ald1-H_000491 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I20 compound treatment 2.906 3.43 1.6 1.921 2.45 1.63 2.805 3.273434169279 1.75166810248719 2.8762 0.9992 3214018 Ald1-H_000492 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I21 mock treatment 0.186 0.708 0.63 0.377 0.91 0.87 0.2 0.668434169278997 0.660229860572891 1.2433 0.9892 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I22 mock treatment 0.104 0.626 0.55 0.281 0.814 0.78 0.477 0.945434169278997 0.933829984240951 1.3066 0.9793 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I23 compound treatment 0.391 0.913 0.81 0.622 1.16 1.1 0.892 1.360434169279 1.34373630670393 1.8774 0.9802 3214020 Ald1-H_000493 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 I24 compound treatment 0.554 1.08 0.95 0.529 1.06 1.01 0.516 0.984434169278997 0.972351301291689 1.695 0.9997 3214022 Ald1-H_000494 COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J01 compound treatment 2.949 3.47 1.61 1.513 2.05 1.57 1.698 2.166434169279 1.60744382910536 2.7593 0.9999 3214024 Ald1-H_000495 OC(=O)CCCCCC(=O)NN=C1CCCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J02 compound treatment 2.815 3.34 1.59 2.678 3.21 1.71 2.955 3.423434169279 1.76590603607484 2.9283 0.9991 3214025 Ald1-H_000496 OC(=O)CCCCCCC(=O)NN=C1CCCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J03 compound treatment 2.9 3.42 1.6 3.526 4.06 1.78 1.687 2.155434169279 1.60551744595248 2.8773 0.9988 3214026 Ald1-H_000497 OC(=O)CCCCCC(=O)NN=C1CCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J04 compound treatment 4.088 4.61 1.68 2.859 3.39 1.73 2.116 2.584434169279 1.67199064904182 2.9303 0.9999 3214027 Ald1-H_000498 OC(=O)CCCCCCC(=O)NN=C1CCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J05 mock treatment -0.188 0.334 0.3 0.157 0.69 0.66 -0.062 0.406434169278997 0.401445628078191 0.782 0.9478 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J06 mock treatment -0.114 0.408 0.36 -0.113 0.42 0.4 0.175 0.643434169278997 0.635536708617289 0.8064 0.9677 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J07 compound treatment 2.716 3.24 1.59 2.843 3.38 1.73 1.253 1.721434169279 1.51694693370561 2.7883 0.9985 3214028 Ald1-H_000499 OC(=O)CCCCCC(=O)NN=C1CCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J08 compound treatment 2.548 3.07 1.57 1.314 1.85 1.53 1.837 2.305434169279 1.63068882449467 2.7324 0.9997 3214029 Ald1-H_000500 OC(=O)CCCCCCC(=O)NN=C1CCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J09 mock treatment 0.329 0.851 0.75 0.367 0.9 0.86 0.462 0.930434169278997 0.91901409306759 1.4602 0.9967 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J10 mock treatment 0.411 0.933 0.83 0.537 1.07 1.02 0.5 0.968434169278997 0.956547684040104 1.6173 0.9963 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J11 compound treatment 1.746 2.27 1.48 1.625 2.16 1.59 0.756 1.224434169279 1.20940556006546 2.4688 0.9939 3214030 Ald1-H_000501 COc1cc(Br)c(/C=N/NC(=O)CCCCCC(=O)O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J12 compound treatment 0.897 1.42 1.25 0.541 1.07 1.02 1.206 1.674434169279 1.50558381437912 2.1845 0.988 3214032 Ald1-H_000502 COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J13 compound treatment 3.577 4.1 1.65 1.62 2.15 1.58 3.182 3.650434169279 1.78583533935415 2.8971 0.9987 3214034 Ald1-H_000503 OC(=O)CCCCCC(=O)N/N=C/CCC1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J14 compound treatment 0.651 1.17 1.04 2.312 2.85 1.68 2.071 2.539434169279 1.66575842669375 2.5279 0.9797 3214036 Ald1-H_000504 OC(=O)CCCCCCC(=O)N/N=C/CCC1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J15 compound treatment 0.412 0.934 0.83 0.462 0.995 0.95 0.402 0.870434169278997 0.859750528374147 1.5206 0.9983 3214038 Ald1-H_000505 OC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J16 compound treatment 0.358 0.88 0.78 0.413 0.946 0.9 0.155 0.623434169278997 0.615782187052809 1.3253 0.9885 3214040 Ald1-H_000506 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J17 compound treatment -0.243 0.279 0.25 0.261 0.794 0.76 -0.167 0.301434169278997 0.297734389864666 0.7513 0.8842 3214042 Ald1-H_000507 OC(=O)CCCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J18 compound treatment -0.122 0.4 0.35 -0.219 0.314 0.3 -0.114 0.354434169278997 0.350083872010541 0.5793 0.9972 3214044 Ald1-H_000508 OC(=O)CCCCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J19 mock treatment 0.268 0.79 0.7 0.275 0.808 0.77 -0.021 0.447434169278997 0.441942397285377 1.1031 0.9764 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J20 mock treatment 0.347 0.869 0.77 -0.202 0.331 0.32 0.186 0.654434169278997 0.646401695477754 0.9991 0.9491 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J21 mock treatment 0.215 0.737 0.65 0.364 0.897 0.85 0.366 0.834434169278997 0.824192389558082 1.3457 0.9935 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J22 mock treatment 0.0 0.522 0.46 -0.143 0.39 0.37 0.015 0.483434169278997 0.477500536101442 0.7569 0.9943 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J23 mock treatment 0.232 0.754 0.67 0.19 0.723 0.69 -0.397 0.071434169278997 0.0705573918731362 0.8235 0.8566 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 J24 mock treatment 0.769 1.29 1.14 0.463 0.996 0.95 0.537 1.005434169279 0.993093548934393 1.7804 0.9968 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K01 compound treatment 2.156 2.68 1.53 1.155 1.69 1.5 0.736 1.204434169279 1.18965103850098 2.4359 0.9941 3214046 Ald1-H_000509 COc1cccc(OC)c1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K02 compound treatment -0.275 0.247 0.22 1.369 1.9 1.54 1.364 1.832434169279 1.54223551659289 1.9063 0.8701 3214048 Ald1-H_000510 COc1cccc(OC)c1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K03 compound treatment 0.462 0.984 0.87 0.317 0.85 0.81 0.659 1.127434169279 1.11359613047773 1.613 0.9902 3214050 Ald1-H_000511 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K04 compound treatment 0.552 1.07 0.95 1.099 1.63 1.48 1.109 1.577434169279 1.48076222902666 2.2604 0.982 3214052 Ald1-H_000512 COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K05 compound treatment 1.847 2.37 1.5 0.777 1.31 1.25 0.165 0.633434169278997 0.625659447835049 1.945 0.9508 3214054 Ald1-H_000513 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K06 compound treatment 1.257 1.78 1.4 1.641 2.17 1.59 0.239 0.707434169278997 0.698751177623628 2.1291 0.9548 3214056 Ald1-H_000514 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K07 mock treatment 1.264 1.79 1.4 0.17 0.703 0.67 2.395 2.863434169279 1.70750443263758 2.1823 0.9451 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K08 mock treatment -0.241 0.281 0.25 -0.184 0.349 0.33 0.059 0.527434169278997 0.5209604835433 0.6364 0.9552 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K09 compound treatment 4.01 4.53 1.67 4.522 5.06 1.83 3.126 3.594434169279 1.78108699464472 3.0514 0.9993 3214058 Ald1-H_000515 CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)O)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K10 compound treatment 4.77 5.29 1.71 4.459 4.99 1.83 2.899 3.367434169279 1.76069659834748 3.0583 0.9996 3214060 Ald1-H_000516 CC1(C)COC(CCC/C=N/NC(=O)CCCCCC(=O)O)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K11 compound treatment 1.127 1.65 1.37 0.707 1.24 1.18 0.342 0.810434169278997 0.800486963680705 1.9379 0.978 3214062 Ald1-H_000517 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)O)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K12 compound treatment 0.091 0.613 0.54 0.27 0.803 0.77 0.585 1.053434169279 1.04050440068915 1.3555 0.9677 3214064 Ald1-H_000518 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCC(=O)O)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K13 compound treatment 0.183 0.705 0.62 0.802 1.34 1.27 -0.357 0.111434169278997 0.110066435002098 1.1579 0.815 3214066 Ald1-H_000519 OC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K14 compound treatment -0.34 0.182 0.16 0.659 1.19 1.14 0.333 0.801434169278997 0.791597428976688 1.2058 0.8652 3214068 Ald1-H_000520 OC(=O)CCCCCC(=O)N/N=C/c1cc(Br)cs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K15 mock treatment 0.122 0.644 0.57 0.283 0.816 0.78 0.228 0.696434169278997 0.687886190763164 1.1749 0.9922 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K16 mock treatment 0.164 0.686 0.61 -0.114 0.419 0.4 -0.305 0.163434169278997 0.161428191069748 0.6741 0.9058 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K17 compound treatment 2.671 3.19 1.58 1.766 2.3 1.61 1.351 1.819434169279 1.53937979420251 2.7301 0.9998 3214070 Ald1-H_000521 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K18 compound treatment 2.313 2.84 1.55 2.337 2.87 1.68 0.454 0.922434169278997 0.911112284441798 2.3891 0.9717 3214072 Ald1-H_000522 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K19 compound treatment 0.234 0.756 0.67 -0.561 -0.028 -0.03 -0.545 -0.076565830721003 -0.0756260677040224 0.3271 0.4856 3214074 Ald1-H_000523 OC(=O)CCCCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K20 compound treatment -0.361 0.161 0.14 0.554 1.09 1.04 -0.094 0.374434169278997 0.369838393575022 0.8938 0.8061 3214076 Ald1-H_000524 OC(=O)CCCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K21 compound treatment 0.465 0.987 0.87 0.81 1.34 1.28 0.4 0.868434169278997 0.857775076217699 1.738 0.9816 3214078 Ald1-H_000525 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K22 compound treatment 0.448 0.97 0.86 1.027 1.56 1.47 0.663 1.131434169279 1.11754703479062 1.9876 0.9772 3214080 Ald1-H_000526 OC(=O)CCCCCC(=O)N/N=C/c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K23 mock treatment 2.402 2.92 1.56 0.471 1.0 0.96 0.167 0.635434169278997 0.627634899991497 1.814 0.9385 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 K24 mock treatment 0.444 0.966 0.85 0.758 1.29 1.23 0.636 1.104434169279 1.09087843067857 1.8332 0.9894 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L01 mock treatment -0.057 0.465 0.41 1.046 1.58 1.47 -0.132 0.336434169278997 0.332304802602508 1.2792 0.8179 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L02 mock treatment 0.5 1.02 0.9 -0.194 0.339 0.32 0.485 0.953434169278997 0.941731792866743 1.2521 0.9311 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L03 mock treatment 0.632 1.15 1.02 0.184 0.717 0.68 0.395 0.863434169278997 0.852836445826579 1.476 0.9872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L04 mock treatment -0.25 0.272 0.24 0.419 0.952 0.91 0.034 0.502434169278997 0.496267331587699 0.9492 0.8942 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L05 mock treatment 0.48 1.0 0.89 0.45 0.983 0.94 0.552 1.020434169279 1.00790944010775 1.6343 0.9986 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L06 mock treatment 0.174 0.696 0.62 0.104 0.637 0.61 0.138 0.606434169278997 0.598990843723 1.0517 0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L07 mock treatment -0.149 0.373 0.33 0.206 0.739 0.7 1.545 2.013434169279 1.57938567121478 1.509 0.8572 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L08 mock treatment 0.243 0.765 0.68 -0.586 -0.053 -0.05 0.394 0.862434169278997 0.851848719748355 0.8534 0.7836 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L09 mock treatment 0.657 1.18 1.04 0.876 1.41 1.34 0.84 1.308434169279 1.29237455063628 2.1232 0.9943 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L10 mock treatment 0.494 1.02 0.9 0.095 0.628 0.6 0.097 0.565434169278997 0.558494074515814 1.1867 0.9763 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L11 mock treatment 0.017 0.539 0.48 0.353 0.886 0.84 0.0 0.468434169278997 0.462684644928082 1.0298 0.9586 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L12 mock treatment 0.584 1.11 0.98 0.213 0.746 0.71 0.558 1.026434169279 1.0138357965771 1.5604 0.9889 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L13 mock treatment -0.168 0.354 0.31 -0.313 0.22 0.21 -0.228 0.240434169278997 0.237483099093 0.4391 0.9854 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L14 mock treatment 1.126 1.65 1.37 -0.481 0.052 0.05 0.311 0.779434169278997 0.769867455255759 1.2667 0.8036 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L15 mock treatment 0.333 0.855 0.76 0.322 0.855 0.81 0.413 0.881434169278997 0.870615515234612 1.4096 0.9984 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L16 mock treatment -0.313 0.209 0.19 0.156 0.689 0.66 0.032 0.500434169278997 0.494291879431251 0.7713 0.9157 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L17 compound treatment 0.752 1.27 1.13 1.453 1.99 1.56 0.286 0.754434169278997 0.745174303300158 1.9793 0.9604 3214082 Ald1-H_000527 OC(=O)CCCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L18 compound treatment 1.72 2.24 1.48 -0.252 0.281 0.27 -0.322 0.146434169278997 0.14463684773994 1.0913 0.7233 3214084 Ald1-H_000528 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L19 compound treatment 3.521 4.04 1.64 -0.292 0.241 0.23 0.077 0.545434169278997 0.538739552951333 1.393 0.798 3214086 Ald1-H_000529 OC(=O)CCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L20 compound treatment 0.303 0.825 0.73 -0.172 0.361 0.34 -0.472 -0.00356583072100297 -0.00352206399366708 0.6179 0.7659 3214088 Ald1-H_000530 OC(=O)CCCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L21 compound treatment 0.7 1.22 1.08 0.439 0.972 0.93 0.479 0.947434169278997 0.935805436397399 1.6989 0.9974 3214090 Ald1-H_000531 OC(=O)CCCCCC(=O)N/N=C/c1ccc2ccccc2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L22 compound treatment 0.447 0.969 0.86 0.2 0.733 0.7 0.415 0.883434169278997 0.87259096739106 1.4018 0.9953 3214092 Ald1-H_000532 OC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L23 mock treatment 0.296 0.818 0.72 0.107 0.64 0.61 -0.016 0.452434169278997 0.446881027676497 1.0278 0.9822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 L24 mock treatment -0.276 0.246 0.22 0.267 0.8 0.76 0.066 0.534434169278997 0.527874566090869 0.8706 0.9141 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M01 compound treatment 1.029 1.55 1.35 1.189 1.72 1.5 1.384 1.852434169279 1.54657681427633 2.5426 0.9984 3214094 Ald1-H_000533 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M02 compound treatment 1.269 1.79 1.4 1.855 2.39 1.62 1.763 2.231434169279 1.61856056061615 2.6797 0.9979 3214096 Ald1-H_000534 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M03 compound treatment -0.152 0.37 0.33 0.16 0.693 0.66 -0.183 0.285434169278997 0.281930772613082 0.733 0.929 3214098 Ald1-H_000535 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M04 compound treatment 0.264 0.786 0.7 0.345 0.878 0.84 0.188 0.656434169278997 0.648377147634202 1.2587 0.994 3214100 Ald1-H_000536 OC(=O)CCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M05 compound treatment 1.246 1.77 1.4 0.636 1.17 1.11 0.089 0.557434169278997 0.550592265890022 1.7686 0.9453 3214102 Ald1-H_000537 OC(=O)CCCCCCC(=O)N/N=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M06 compound treatment 0.629 1.15 1.02 0.611 1.14 1.09 0.224 0.692434169278997 0.683935286450268 1.6119 0.9824 3214104 Ald1-H_000538 OC(=O)CCCCCC(=O)N/N=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M07 compound treatment -0.168 0.354 0.31 -0.25 0.283 0.27 -0.575 -0.106565830721003 -0.105257850050744 0.2758 0.6466 3214106 Ald1-H_000539 OC(=O)CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M08 compound treatment 0.6 1.12 0.99 -0.294 0.239 0.23 -0.179 0.289434169278997 0.285881676925978 0.8695 0.8222 3214108 Ald1-H_000540 OC(=O)CCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M09 mock treatment -0.063 0.459 0.41 0.2 0.733 0.7 0.255 0.723434169278997 0.714554794875213 1.0503 0.9738 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M10 mock treatment 0.0 0.522 0.46 0.079 0.612 0.58 0.442 0.910434169278997 0.899259571503109 1.1225 0.9618 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M11 compound treatment -0.203 0.319 0.28 -0.429 0.104 0.1 -0.448 0.020434169278997 0.0201833618837099 0.2319 0.7731 3214110 Ald1-H_000541 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M12 compound treatment -0.031 0.491 0.43 -0.394 0.139 0.13 -0.219 0.249434169278997 0.246372633797016 0.4696 0.9087 3214112 Ald1-H_000542 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M13 mock treatment 0.781 1.3 1.15 0.439 0.972 0.93 0.687 1.155434169279 1.141252460668 1.8589 0.9953 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M14 mock treatment 0.913 1.44 1.27 0.909 1.44 1.37 0.683 1.151434169279 1.1373015563551 2.1825 0.9971 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M15 compound treatment -0.24 0.282 0.25 -0.237 0.296 0.28 -0.393 0.075434169278997 0.0745082961860324 0.35 0.9115 3214114 Ald1-H_000543 OB(O)c1cccc(/C=N/NC(=O)CCCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M16 compound treatment -0.623 -0.101 -0.09 -0.4 0.133 0.13 -0.353 0.115434169278997 0.114017339314994 0.0877 0.456 3214116 Ald1-H_000544 OB(O)c1cccc(/C=N/NC(=O)CCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M17 compound treatment 2.435 2.96 1.56 2.724 3.26 1.72 1.842 2.310434169279 1.63148898337209 2.8338 0.9993 3214118 Ald1-H_000545 OC(=O)CCCCCCC(=O)N/N=C/c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M18 compound treatment 2.629 3.15 1.58 1.667 2.2 1.59 1.478 1.946434169279 1.56617483169952 2.7349 1.0 3214120 Ald1-H_000546 OC(=O)CCCCCC(=O)N/N=C/c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M19 compound treatment 2.507 3.03 1.57 1.682 2.22 1.59 1.808 2.276434169279 1.62600039123042 2.7644 0.9999 3214122 Ald1-H_000547 OC(=O)CCCCCCC(=O)N/N=C/c1ccoc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M20 compound treatment 3.197 3.72 1.62 2.735 3.27 1.72 4.325 4.793434169279 1.86440699103617 3.0047 0.9984 3214124 Ald1-H_000548 OC(=O)CCCCCC(=O)N/N=C/c1ccoc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M21 compound treatment 0.19 0.712 0.63 0.053 0.586 0.56 0.091 0.559434169278997 0.55256771804647 1.005 0.9982 3214126 Ald1-H_000549 OC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M22 compound treatment -0.018 0.504 0.45 0.0 0.533 0.51 0.5 0.968434169278997 0.956547684040104 1.1029 0.9417 3214128 Ald1-H_000550 OC(=O)CCCCCC(=O)N/N=C/c1cccc(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M23 compound treatment 0.545 1.07 0.94 0.569 1.1 1.05 0.563 1.031434169279 1.01877442696822 1.7392 0.999 3214130 Ald1-H_000551 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 M24 compound treatment 0.071 0.593 0.52 0.408 0.941 0.9 0.344 0.812434169278997 0.802462415837153 1.2838 0.9781 3214132 Ald1-H_000552 OC(=O)CCCCCC(=O)N/N=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N01 compound treatment 0.857 1.38 1.22 0.353 0.886 0.84 1.038 1.506434169279 1.46131001491599 2.0351 0.9774 3214134 Ald1-H_000553 Cc1ccccc1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N02 compound treatment -0.117 0.405 0.36 0.072 0.605 0.58 0.5 0.968434169278997 0.956547684040104 1.092 0.931 3214136 Ald1-H_000554 Cc1ccccc1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N03 compound treatment 1.132 1.65 1.38 1.351 1.88 1.54 1.368 1.836434169279 1.54310879678576 2.5728 0.9986 3214138 Ald1-H_000555 COc1cc(/C=N/NC(=O)CCCCCC(=O)O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N04 compound treatment 1.246 1.77 1.4 0.974 1.51 1.44 1.069 1.537434169279 1.46994488006126 2.4853 0.9998 3214140 Ald1-H_000556 COc1cc(/C=N/NC(=O)CCCCCCC(=O)O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N05 mock treatment -0.044 0.478 0.42 0.486 1.02 0.97 -0.042 0.426434169278997 0.421200149642672 1.0479 0.9195 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N06 mock treatment 0.028 0.55 0.49 -0.103 0.43 0.41 -0.038 0.430434169278997 0.425151053955568 0.763 0.9972 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N07 mock treatment 0.508 1.03 0.91 0.757 1.29 1.23 0.634 1.102434169279 1.08890297852213 1.8642 0.9928 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N08 mock treatment 0.016 0.538 0.48 -0.027 0.506 0.48 -0.174 0.294434169278997 0.290820307317098 0.7211 0.978 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N09 mock treatment 0.014 0.536 0.47 0.194 0.727 0.69 0.138 0.606434169278997 0.598990843723 1.0195 0.9887 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N10 mock treatment -0.049 0.473 0.42 -0.101 0.432 0.41 -0.043 0.425434169278997 0.420212423564448 0.7219 1.0 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N11 compound treatment 0.903 1.43 1.26 1.323 1.86 1.53 1.133 1.601434169279 1.48708443730821 2.4707 0.9965 3214142 Ald1-H_000557 COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N12 compound treatment 0.902 1.42 1.26 1.259 1.79 1.52 1.582 2.050434169279 1.5864300127991 2.5201 0.9953 3214144 Ald1-H_000558 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N13 mock treatment 0.282 0.804 0.71 0.526 1.06 1.01 0.197 0.665434169278997 0.657266682338218 1.3726 0.9815 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N14 mock treatment 0.068 0.59 0.52 -0.29 0.243 0.23 -0.131 0.337434169278997 0.333292528680732 0.6275 0.949 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N15 compound treatment 0.389 0.911 0.81 0.587 1.12 1.07 0.536 1.004434169279 0.992105822856169 1.6541 0.9935 3214146 Ald1-H_000559 CCOc1cccc(/C=N/NC(=O)CCCCCC(=O)O)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N16 compound treatment 0.493 1.02 0.9 0.608 1.14 1.09 0.681 1.149434169279 1.13532610419866 1.8014 0.9952 3214148 Ald1-H_000560 CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)O)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N17 compound treatment -0.2 0.322 0.29 -0.224 0.309 0.29 -0.149 0.319434169278997 0.315513459272699 0.5167 0.9991 3214150 Ald1-H_000561 OC(=O)CCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N18 compound treatment -0.222 0.3 0.27 -0.354 0.179 0.17 -0.102 0.366434169278997 0.361936584949229 0.4608 0.9595 3214152 Ald1-H_000562 OC(=O)CCCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N19 compound treatment 2.473 3.0 1.56 1.455 1.99 1.56 2.179 2.647434169279 1.68046581736223 2.7723 0.9994 3214154 Ald1-H_000563 CN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N20 compound treatment 1.797 2.32 1.49 1.132 1.67 1.49 0.684 1.152434169279 1.13828928243333 2.3779 0.9928 3214156 Ald1-H_000564 CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N21 compound treatment 0.169 0.691 0.61 0.27 0.803 0.77 0.313 0.781434169278997 0.771842907412208 1.2402 0.9947 3214158 Ald1-H_000565 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCC(=O)O)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N22 compound treatment 0.838 1.36 1.2 0.426 0.959 0.91 0.343 0.811434169278997 0.801474689758929 1.6846 0.9852 3214160 Ald1-H_000566 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCCC(=O)O)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N23 compound treatment 0.338 0.86 0.76 0.581 1.11 1.06 0.413 0.881434169278997 0.870615515234612 1.5546 0.9906 3214162 Ald1-H_000567 OC(=O)CCCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 N24 compound treatment -0.133 0.389 0.34 0.033 0.566 0.54 0.052 0.520434169278997 0.514046400995732 0.8069 0.9832 3214164 Ald1-H_000568 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O01 compound treatment -0.051 0.471 0.42 0.438 0.971 0.93 0.25 0.718434169278997 0.709616164484093 1.1844 0.9566 3214166 Ald1-H_000569 OCCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O02 compound treatment -0.25 0.272 0.24 0.318 0.851 0.81 0.43 0.898434169278997 0.887406858564421 1.1195 0.9132 3214168 Ald1-H_000570 OCCOc1ccccc1/C=N/NC(=O)CCCCCC(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O03 compound treatment -0.427 0.0954 0.08 -0.311 0.222 0.21 -0.041 0.427434169278997 0.422187875720896 0.4146 0.8643 3214170 Ald1-H_000571 OCCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O04 compound treatment 1.589 2.11 1.46 1.58 2.11 1.58 1.407 1.875434169279 1.55149288446994 2.6489 0.9994 3214172 Ald1-H_000572 OCCOc1cccc(/C=N/NC(=O)CCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O05 compound treatment -0.172 0.35 0.31 0.221 0.754 0.72 0.274 0.742434169278997 0.73332159036147 1.017 0.9485 3214174 Ald1-H_000573 OCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O06 compound treatment 0.719 1.24 1.1 0.69 1.22 1.17 0.514 0.982434169278997 0.97037584913524 1.8666 0.9972 3214176 Ald1-H_000574 OCCOc1ccc(/C=N/NC(=O)CCCCCC(=O)O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O07 compound treatment 1.429 1.95 1.43 0.594 1.13 1.07 -0.474 -0.00556583072100297 -0.00549751615011517 1.4438 0.8065 3214178 Ald1-H_000575 COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O08 compound treatment 2.253 2.78 1.54 0.667 1.2 1.14 -0.02 0.448434169278997 0.442930123363601 1.8065 0.9167 3214180 Ald1-H_000576 COc1ccc(/C=N/NC(=O)CCCCCC(=O)O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O09 compound treatment 0.483 1.01 0.89 0.569 1.1 1.05 0.486 0.954434169278997 0.942719518944967 1.6636 0.9976 3214182 Ald1-H_000577 COc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O10 compound treatment 0.375 0.897 0.79 1.368 1.9 1.54 1.342 1.810434169279 1.53738686016493 2.2352 0.9649 3214184 Ald1-H_000578 COc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O11 mock treatment -0.299 0.223 0.2 0.455 0.988 0.94 0.093 0.561434169278997 0.554543170202918 0.9777 0.8806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O12 mock treatment 0.733 1.26 1.11 0.286 0.819 0.78 0.448 0.916434169278997 0.905185927972453 1.6139 0.9895 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O13 compound treatment -0.129 0.393 0.35 0.579 1.11 1.06 2.786 3.254434169279 1.74979817967642 1.8227 0.8785 3214186 Ald1-H_000579 COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O14 compound treatment -0.073 0.449 0.4 0.574 1.11 1.05 0.519 0.987434169278997 0.975314479526361 1.4014 0.9403 3214188 Ald1-H_000580 COc1cc(/C=C/C=N/NC(=O)CCCCCC(=O)O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O15 compound treatment 0.076 0.598 0.53 0.556 1.09 1.04 0.371 0.839434169278997 0.829131019949202 1.3832 0.9675 3214190 Ald1-H_000581 Cc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O16 compound treatment 0.228 0.75 0.66 0.478 1.01 0.96 0.633 1.101434169279 1.0879152524439 1.5673 0.9812 3214192 Ald1-H_000582 Cc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O17 compound treatment 1.205 1.73 1.39 1.786 2.32 1.61 1.653 2.121434169279 1.59947750234736 2.6558 0.9978 3214194 Ald1-H_000583 OCc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O18 compound treatment 1.424 1.95 1.43 0.957 1.49 1.42 0.948 1.416434169279 1.39904896708448 2.4539 1.0 3214196 Ald1-H_000584 OCc1ccc(/C=N/NC(=O)CCCCCC(=O)O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O19 compound treatment 1.71 2.23 1.48 1.222 1.76 1.51 -0.529 -0.060565830721003 -0.0598224504524376 1.6905 0.7998 3214198 Ald1-H_000585 OC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O20 compound treatment 1.265 1.79 1.4 0.393 0.926 0.88 0.01 0.478434169278997 0.472561905710322 1.592 0.9239 3214200 Ald1-H_000586 OC(=O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O21 compound treatment 0.22 0.742 0.66 1.145 1.68 1.49 0.766 1.234434169279 1.2192828208477 1.946 0.955 3214202 Ald1-H_000587 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O22 compound treatment 1.261 1.78 1.4 1.296 1.83 1.53 1.288 1.756434169279 1.52514776853644 2.5714 0.9992 3214204 Ald1-H_000588 OC(=O)CCCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O23 compound treatment 0.241 0.763 0.67 1.033 1.57 1.47 0.289 0.757434169278997 0.74813748153483 1.6696 0.9374 3214206 Ald1-H_000589 OC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 O24 compound treatment 0.814 1.34 1.18 0.986 1.52 1.45 0.636 1.104434169279 1.09087843067857 2.1475 0.9926 3214208 Ald1-H_000590 OC(=O)CCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P01 compound treatment 0.435 0.957 0.85 0.273 0.806 0.77 0.464 0.932434169278997 0.920989545224038 1.4638 0.9973 3214210 Ald1-H_000591 OC(=O)CCCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P02 compound treatment 0.2 0.722 0.64 0.648 1.18 1.13 0.125 0.593434169278997 0.586150404706087 1.3568 0.9552 3214212 Ald1-H_000592 OC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P03 mock treatment 0.2 0.722 0.64 -0.527 0.00605 0.01 -0.119 0.349434169278997 0.34514524161942 0.5714 0.787 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P04 mock treatment 0.169 0.691 0.61 0.206 0.739 0.7 0.02 0.488434169278997 0.482439166492563 1.038 0.9887 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P05 mock treatment 0.107 0.629 0.56 0.893 1.43 1.36 2.173 2.641434169279 1.6796708509538 2.0754 0.9303 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P06 mock treatment 0.648 1.17 1.03 -0.348 0.185 0.18 0.777 1.245434169279 1.23014780770816 1.4094 0.8716 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P07 mock treatment 0.103 0.625 0.55 0.29 0.823 0.78 -0.054 0.414434169278997 0.409347436703983 1.0083 0.9666 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P08 mock treatment 0.172 0.694 0.61 -0.311 0.222 0.21 -0.293 0.175434169278997 0.173280904008437 0.5766 0.858 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P09 mock treatment -0.31 0.212 0.19 -0.243 0.29 0.28 0.492 0.960434169278997 0.948645875414311 0.8157 0.811 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P10 mock treatment 0.178 0.7 0.62 -0.139 0.394 0.38 0.173 0.641434169278997 0.633561256460841 0.9401 0.977 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P11 mock treatment 0.133 0.655 0.58 0.029 0.562 0.54 -0.023 0.445434169278997 0.439966945128929 0.8977 0.9937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P12 mock treatment 0.166 0.688 0.61 0.01 0.543 0.52 -0.179 0.289434169278997 0.285881676925978 0.8151 0.9608 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P13 mock treatment 0.23 0.752 0.67 0.29 0.823 0.78 0.263 0.731434169278997 0.722456603501005 1.2539 0.9978 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P14 mock treatment 0.186 0.708 0.63 0.169 0.702 0.67 0.139 0.607434169278997 0.599978569801224 1.0941 0.999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P15 mock treatment -0.115 0.407 0.36 -0.639 -0.106 -0.1 -0.23 0.238434169278997 0.235507646936552 0.2857 0.6462 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P16 mock treatment -0.047 0.475 0.42 -0.426 0.107 0.1 -0.341 0.127434169278997 0.125870052253683 0.3742 0.8307 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P17 mock treatment -0.178 0.344 0.3 -0.145 0.388 0.37 -0.014 0.454434169278997 0.448856479832945 0.6484 0.9878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P18 mock treatment 1.09 1.61 1.37 0.527 1.06 1.01 -0.108 0.360434169278997 0.356010228479885 1.5776 0.9087 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P19 mock treatment 0.203 0.725 0.64 0.0 0.533 0.51 0.165 0.633434169278997 0.625659447835049 1.0247 0.995 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P20 mock treatment -0.358 0.164 0.15 0.02 0.553 0.53 -0.231 0.237434169278997 0.234519920858328 0.5235 0.8802 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P21 mock treatment -0.595 -0.0726 -0.06 0.27 0.803 0.77 0.425 0.893434169278997 0.882468228173301 0.9141 0.7815 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P22 mock treatment 0.054 0.576 0.51 -0.638 -0.105 -0.1 0.27 0.738434169278997 0.729370686048574 0.6576 0.7345 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P23 mock treatment 0.049 0.571 0.51 -0.271 0.262 0.25 -0.225 0.243434169278997 0.240446277327672 0.5746 0.9379 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2132 P24 mock treatment 0.033 0.555 0.49 0.171 0.704 0.67 0.032 0.500434169278997 0.494291879431251 0.9561 0.9886 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A01 compound treatment 0.0 0.522 0.46 0.015 0.548 0.52 -0.098 0.370434169278997 0.365887489262125 0.7794 0.9899 3214214 Ald1-H_000593 NNC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A02 compound treatment -1.889 -1.37 -1.21 -1.667 -1.13 -1.08 -1.835 -1.366565830721 -1.34979270861304 -2.1005 -0.9959 3214215 Ald1-H_000594 NNC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A03 compound treatment -1.16 -0.638 -0.56 -0.583 -0.05 -0.05 -1.088 -0.619565830721003 -0.611961328179678 -0.7062 -0.8474 3214216 Ald1-H_000595 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A04 compound treatment -0.029 0.493 0.44 0.1 0.633 0.6 -0.154 0.314434169278997 0.310574828881579 0.7794 0.9663 3214218 Ald1-H_000596 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccc2OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A05 compound treatment -0.676 -0.154 -0.14 -1.049 -0.516 -0.49 -0.678 -0.209565830721003 -0.20699363610782 -0.4817 -0.8752 3214220 Ald1-H_000597 COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A06 compound treatment -0.623 -0.101 -0.09 -0.609 -0.076 -0.07 -0.636 -0.167565830721003 -0.16550914082241 -0.1887 -0.9371 3214222 Ald1-H_000598 COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A07 compound treatment -1.576 -1.05 -0.93 -1.278 -0.745 -0.71 -1.224 -0.755565830721003 -0.746292074818148 -1.3784 -0.9926 3214224 Ald1-H_000599 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A08 compound treatment -0.065 0.457 0.4 -0.312 0.221 0.21 0.195 0.663434169278997 0.65529123018177 0.7334 0.9187 3214226 Ald1-H_000600 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A09 compound treatment -1.5 -0.978 -0.86 -0.935 -0.402 -0.38 -0.914 -0.445565830721003 -0.440096990568695 -0.9741 -0.9342 3214228 Ald1-H_000601 ONC(=O)CCCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A10 compound treatment -0.685 -0.163 -0.14 -0.631 -0.098 -0.09 -0.762 -0.293565830721003 -0.28996262667864 -0.3043 -0.9034 3214230 Ald1-H_000602 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc3OCCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A11 compound treatment -2.39 -1.87 -1.65 -2.0 -1.47 -1.4 -2.215 -1.746565830721 -1.72512861833818 -2.7561 -0.9961 3214232 Ald1-H_000603 ONC(=O)CCCCCC(=O)N/N=C/COCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A12 compound treatment -1.42 -0.898 -0.79 -0.97 -0.437 -0.42 -1.047 -0.578565830721003 -0.571464558972492 -1.0284 -0.9676 3214234 Ald1-H_000604 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/COCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A13 mock treatment -0.247 0.275 0.24 0.106 0.639 0.61 0.213 0.681434169278997 0.673070299589803 0.8807 0.9372 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A14 mock treatment -0.42 0.102 0.09 -0.256 0.277 0.26 -0.439 0.029434169278997 0.0290728965877263 0.2215 0.7894 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A15 compound treatment -1.341 -0.819 -0.72 -0.914 -0.381 -0.36 -0.895 -0.426565830721003 -0.421330195082438 -0.8706 -0.9539 3214236 Ald1-H_000605 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A16 compound treatment -0.228 0.294 0.26 -0.5 0.033 0.03 -0.173 0.295434169278997 0.291808033395322 0.3369 0.8589 3214238 Ald1-H_000606 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A17 compound treatment -1.639 -1.12 -0.99 -1.532 -0.999 -0.95 -1.36 -0.891565830721003 -0.880622821456618 -1.6278 -0.9989 3214240 Ald1-H_000607 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A18 compound treatment -0.537 -0.0146 -0.01 -0.683 -0.15 -0.14 -1.093 -0.624565830721003 -0.616899958570798 -0.4461 -0.7043 3214242 Ald1-H_000608 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A19 compound treatment -0.797 -0.275 -0.24 -0.873 -0.34 -0.32 -0.85 -0.381565830721003 -0.376882521562356 -0.5447 -0.985 3214244 Ald1-H_000609 ONC(=O)CCCCCC(=O)N/N=C/c1cccc(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A20 compound treatment -0.068 0.454 0.4 -0.254 0.279 0.27 0.238 0.706434169278997 0.697763451545404 0.7883 0.9297 3214246 Ald1-H_000610 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccc(Br)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A21 compound treatment -2.176 -1.65 -1.46 -1.764 -1.23 -1.17 -1.736 -1.267565830721 -1.25200782686886 -2.2439 -0.9956 3214248 Ald1-H_000611 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A22 compound treatment -0.554 -0.0316 -0.03 -0.855 -0.322 -0.31 -0.933 -0.464565830721003 -0.458863786054951 -0.4581 -0.829 3214250 Ald1-H_000612 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A23 compound treatment -1.153 -0.631 -0.56 -0.915 -0.382 -0.36 -1.29 -0.821565830721003 -0.811481995980935 -1.0004 -0.9532 3214252 Ald1-H_000613 ONC(=O)CCCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 A24 compound treatment -0.58 -0.0576 -0.05 -0.882 -0.349 -0.33 -0.226 0.242434169278997 0.239458551249448 -0.0831 -0.2012 3214254 Ald1-H_000614 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/C(=C/c2ccccc2)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B01 compound treatment -1.071 -0.549 -0.48 -1.144 -0.611 -0.58 -1.028 -0.559565830721003 -0.552697763486236 -0.9351 -0.9972 3214256 Ald1-H_000615 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2c(O)ccc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B02 compound treatment -0.431 0.0914 0.08 -0.156 0.377 0.36 -0.724 -0.255565830721003 -0.252429035706126 0.1083 0.2426 3214258 Ald1-H_000616 ONC(=O)CCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B03 compound treatment -0.107 0.415 0.37 -0.177 0.356 0.34 -0.39 0.078434169278997 0.0774714744207045 0.4526 0.8946 3214260 Ald1-H_000617 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(O)c3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B04 compound treatment 0.254 0.776 0.69 0.098 0.631 0.6 0.614 1.082434169279 1.06914845695764 1.3607 0.968 3214262 Ald1-H_000618 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B05 compound treatment -0.525 -0.00255 0.0 -0.222 0.311 0.3 -0.592 -0.123565830721003 -0.122049193380552 0.0993 0.3099 3214264 Ald1-H_000619 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B06 compound treatment -0.745 -0.223 -0.2 -1.127 -0.594 -0.57 -1.5 -1.031565830721 -1.01890447240798 -1.0285 -0.8702 3214266 Ald1-H_000620 ONC(=O)CCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B07 compound treatment -0.755 -0.233 -0.21 -0.769 -0.236 -0.22 0.278 0.746434169278997 0.737272494674366 0.1772 0.2221 3214268 Ald1-H_000621 Oc1ccc([N+](=O)[O-])c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B08 compound treatment -1.075 -0.553 -0.49 -0.448 0.085 0.08 -0.21 0.258434169278997 0.255262168501032 -0.0879 -0.1578 3214270 Ald1-H_000622 ONC(=O)CCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B09 compound treatment -1.258 -0.736 -0.65 -1.112 -0.579 -0.55 -1.248 -0.779565830721003 -0.769997500695525 -1.1384 -0.9909 3214272 Ald1-H_000623 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(cc2)n3ccnc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B10 compound treatment -0.767 -0.245 -0.22 -0.929 -0.396 -0.38 -0.743 -0.274565830721003 -0.271195831192383 -0.4992 -0.9742 3214274 Ald1-H_000624 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B11 compound treatment -0.282 0.24 0.21 -0.121 0.412 0.39 -0.408 0.060434169278997 0.0596924050126717 0.3838 0.8522 3214276 Ald1-H_000625 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2c[nH]c3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B12 compound treatment -0.228 0.294 0.26 -0.414 0.119 0.11 -0.299 0.169434169278997 0.167354547539093 0.3124 0.9478 3214278 Ald1-H_000626 ONC(=O)CCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B13 mock treatment -0.932 -0.41 -0.36 -0.94 -0.407 -0.39 -0.851 -0.382565830721003 -0.37787024764058 -0.651 -0.9996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B14 mock treatment -0.012 0.51 0.45 -0.423 0.11 0.1 -0.291 0.177434169278997 0.175256356164885 0.4223 0.8525 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B15 compound treatment -0.075 0.447 0.4 -0.329 0.204 0.19 -0.377 0.091434169278997 0.0903119134376171 0.3928 0.873 3214280 Ald1-H_000627 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(I)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B16 compound treatment -1.096 -0.574 -0.51 -1.228 -0.695 -0.66 -1.632 -1.163565830721 -1.14928431473356 -1.3385 -0.9427 3214282 Ald1-H_000628 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(I)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B17 compound treatment -1.254 -0.732 -0.65 -1.175 -0.642 -0.61 -1.0 -0.531565830721003 -0.525041433295962 -1.0296 -0.9963 3214284 Ald1-H_000629 C/C=C(/C)\C=N\NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B18 compound treatment -0.528 -0.00555 0.0 -0.697 -0.164 -0.16 -0.673 -0.204565830721003 -0.2020550057167 -0.2097 -0.8208 3214286 Ald1-H_000630 C/C=C(/C)\C=N\NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B19 compound treatment -0.75 -0.228 -0.2 -0.754 -0.221 -0.21 -0.375 0.093434169278997 0.0922873655940652 -0.1844 -0.6037 3214288 Ald1-H_000631 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B20 compound treatment -1.043 -0.521 -0.46 0.009 0.542 0.52 -0.788 -0.319565830721003 -0.315643504712465 -0.1498 -0.197 3214290 Ald1-H_000632 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B21 compound treatment -0.679 -0.157 -0.14 -0.713 -0.18 -0.17 -0.397 0.071434169278997 0.0705573918731362 -0.1382 -0.5971 3214292 Ald1-H_000633 Cc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B22 compound treatment 0.367 0.889 0.79 0.611 1.14 1.09 0.629 1.097434169279 1.08396434813101 1.7091 0.9898 3214294 Ald1-H_000634 Cc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B23 compound treatment -0.618 -0.0956 -0.08 -0.793 -0.26 -0.25 -0.728 -0.259565830721003 -0.256379940019022 -0.3398 -0.9275 3214296 Ald1-H_000635 Cc1[nH]cnc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 B24 compound treatment -0.213 0.309 0.27 -0.588 -0.055 -0.05 -0.348 0.120434169278997 0.118955969706114 0.1964 0.6485 3214298 Ald1-H_000636 Cc1[nH]cnc1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C01 compound treatment 0.982 1.5 1.33 -0.634 -0.101 -0.1 -0.224 0.244434169278997 0.241434003405896 0.8518 0.6285 3214300 Ald1-H_000637 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(Br)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C02 compound treatment -0.72 -0.198 -0.17 -0.631 -0.098 -0.09 -0.296 0.172434169278997 0.170317725773765 -0.0564 -0.2159 3214302 Ald1-H_000638 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(Br)o2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C03 compound treatment -1.141 -0.619 -0.55 -0.489 0.044 0.04 -2.029 -1.560565830721 -1.5414115677885 -1.1814 -0.7221 3214304 Ald1-H_000639 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C04 compound treatment -1.317 -0.795 -0.7 -0.484 0.049 0.05 -0.677 -0.208565830721003 -0.206005910029596 -0.4975 -0.6783 3214306 Ald1-H_000640 Oc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C05 compound treatment -1.026 -0.504 -0.45 -0.981 -0.448 -0.43 -0.654 -0.185565830721003 -0.183288210230443 -0.6092 -0.947 3214308 Ald1-H_000641 ONC(=O)CCCCCC(=O)N/N=C/c1cc(O)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C06 compound treatment -0.393 0.129 0.11 -0.574 -0.041 -0.04 -0.247 0.221434169278997 0.218716303606743 0.1698 0.6795 3214310 Ald1-H_000642 Oc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C07 compound treatment -0.293 0.229 0.2 -0.822 -0.289 -0.28 0.081 0.549434169278997 0.542690457264229 0.2715 0.4233 3214312 Ald1-H_000643 COc1cc(Br)cc(/C=N/NC(=O)CCCCCC(=O)NO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C08 compound treatment -0.267 0.255 0.23 -0.661 -0.128 -0.12 -0.067 0.401434169278997 0.396506997687071 0.2889 0.6117 3214314 Ald1-H_000644 COc1cc(Br)cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C09 compound treatment -1.0 -0.478 -0.42 -0.952 -0.419 -0.4 -0.701 -0.232565830721003 -0.229711335906973 -0.6068 -0.9713 3214316 Ald1-H_000645 COc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C10 compound treatment -0.613 -0.0906 -0.08 -0.092 0.441 0.42 -0.368 0.100434169278997 0.0992014481416335 0.2536 0.5777 3214318 Ald1-H_000646 COc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C11 mock treatment 0.242 0.764 0.68 0.683 1.22 1.16 0.26 0.728434169278997 0.719493425266333 1.4744 0.9688 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C12 mock treatment -0.649 -0.127 -0.11 -0.528 0.00505 0.0 -0.264 0.204434169278997 0.201924960276934 0.0548 0.2372 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C13 compound treatment -1.355 -0.833 -0.74 -1.709 -1.18 -1.12 -0.891 -0.422565830721003 -0.417379290769542 -1.3127 -0.935 3214320 Ald1-H_000647 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C14 compound treatment -0.78 -0.258 -0.23 -0.684 -0.151 -0.14 -0.366 0.102434169278997 0.101176900298082 -0.1561 -0.5425 3214322 Ald1-H_000648 COc1ccc(Br)cc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C15 mock treatment 0.465 0.987 0.87 -0.138 0.395 0.38 0.029 0.497434169278997 0.491328701196579 1.005 0.9391 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C16 mock treatment -0.633 -0.111 -0.1 -0.44 0.093 0.09 -0.475 -0.00656583072100297 -0.00648524222833922 -0.009 -0.0681 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C17 compound treatment -1.339 -0.817 -0.72 -0.863 -0.33 -0.31 -0.847 -0.378565830721003 -0.373919343327684 -0.8142 -0.934 3214324 Ald1-H_000649 ONC(=O)CCCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C18 compound treatment -0.548 -0.0256 -0.02 -0.845 -0.312 -0.3 -0.356 0.112434169278997 0.111054161080322 -0.1205 -0.3789 3214326 Ald1-H_000650 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc3OCOc3cc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C19 compound treatment 0.132 0.654 0.58 0.073 0.606 0.58 -0.242 0.226434169278997 0.223654933997863 0.7965 0.9399 3214328 Ald1-H_000651 ONC(=O)CCCCCC(=O)N/N=C/c1cccnc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C20 compound treatment -0.202 0.32 0.28 -0.921 -0.388 -0.37 -0.146 0.322434169278997 0.318476637507371 0.1341 0.2376 3214330 Ald1-H_000652 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccnc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C21 compound treatment -0.017 0.505 0.45 -0.696 -0.163 -0.16 -0.712 -0.243565830721003 -0.240576322767438 0.0295 0.0555 3214332 Ald1-H_000653 ONC(=O)CCCCCC(=O)N/N=C/c1ccncc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C22 compound treatment -0.338 0.184 0.16 -0.77 -0.237 -0.23 -0.655 -0.186565830721003 -0.184275936308667 -0.1426 -0.427 3214334 Ald1-H_000654 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccncc2Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C23 compound treatment -1.111 -0.589 -0.52 -0.937 -0.404 -0.38 -1.373 -0.904565830721003 -0.893463260473531 -1.0384 -0.9413 3214336 Ald1-H_000655 ONC(=O)CCCCCC(=O)N/N=C/c1cc(Br)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 C24 compound treatment -0.39 0.132 0.12 -0.812 -0.279 -0.27 -0.954 -0.485565830721003 -0.479606033697656 -0.3627 -0.6469 3214338 Ald1-H_000656 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(Br)ccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D01 compound treatment -0.131 0.391 0.35 -0.333 0.2 0.19 -0.383 0.085434169278997 0.0843855569682728 0.3586 0.8875 3214340 Ald1-H_000657 Cc1ccsc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D02 compound treatment -0.843 -0.321 -0.28 -1.0 -0.467 -0.44 -1.0 -0.531565830721003 -0.525041433295962 -0.7236 -0.9723 3214342 Ald1-H_000658 Cc1ccsc1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D03 compound treatment -0.473 0.0494 0.04 -0.188 0.345 0.33 -0.593 -0.124565830721003 -0.123036919458776 0.144 0.4071 3214344 Ald1-H_000659 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCC(=O)Nc3ccccc3O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D04 compound treatment -0.97 -0.448 -0.4 0.917 1.45 1.38 -0.897 -0.428565830721003 -0.423305647238886 0.3247 0.2168 3214346 Ald1-H_000660 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D05 compound treatment 1.012 1.53 1.35 -0.716 -0.183 -0.17 -0.671 -0.202565830721003 -0.200079553560252 0.5626 0.4093 3214348 Ald1-H_000661 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D06 compound treatment -0.563 -0.0406 -0.04 -0.953 -0.42 -0.4 -0.979 -0.510565830721003 -0.504299185653257 -0.5428 -0.842 3214350 Ald1-H_000662 ONC(=O)CCCCCC(=O)N/N=C/c1cccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D07 compound treatment -0.973 -0.451 -0.4 -1.593 -1.06 -1.01 -1.26 -0.791565830721003 -0.781850213634214 -1.2644 -0.9451 3214352 Ald1-H_000663 COc1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D08 compound treatment -1.567 -1.04 -0.92 -1.259 -0.726 -0.69 -1.054 -0.585565830721003 -0.578378641520061 -1.2664 -0.9812 3214354 Ald1-H_000664 COc1cc(/C=N/NC(=O)CCCCCC(=O)NO)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D09 compound treatment -0.77 -0.248 -0.22 3.377 3.91 1.77 -0.778 -0.309565830721003 -0.305766243930225 0.7172 0.397 3214356 Ald1-H_000665 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D10 compound treatment -0.951 -0.429 -0.38 -1.043 -0.51 -0.49 -0.937 -0.468565830721003 -0.462814690367848 -0.7664 -0.9947 3214358 Ald1-H_000666 ONC(=O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D11 mock treatment -0.805 -0.283 -0.25 -0.656 -0.123 -0.12 -0.242 0.226434169278997 0.223654933997863 -0.0827 -0.2329 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D12 mock treatment -0.517 0.00545 0.0 -0.167 0.366 0.35 -0.182 0.286434169278997 0.282918498691306 0.3675 0.8182 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D13 compound treatment -1.049 -0.527 -0.47 -1.88 -1.35 -1.28 -1.534 -1.065565830721 -1.0524871590676 -1.6173 -0.9383 3214360 Ald1-H_000667 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(s2)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D14 compound treatment -0.434 0.0884 0.08 0.0 0.533 0.51 -0.634 -0.165565830721003 -0.163533688665962 0.2439 0.4524 3214362 Ald1-H_000668 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D15 mock treatment -0.453 0.0694 0.06 -0.324 0.209 0.2 -0.406 0.062434169278997 0.0616678571691198 0.186 0.856 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D16 mock treatment 0.559 1.08 0.96 -0.114 0.419 0.4 0.051 0.519434169278997 0.513058674917508 1.0787 0.933 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D17 compound treatment -0.649 -0.127 -0.11 -0.964 -0.431 -0.41 -1.227 -0.758565830721003 -0.74925525305282 -0.7342 -0.8521 3214364 Ald1-H_000669 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D18 compound treatment -1.882 -1.36 -1.2 -2.389 -1.86 -1.77 -0.96 -0.491565830721003 -0.485532390167001 -1.9951 -0.91 3214366 Ald1-H_000670 ONC(=O)CCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D19 compound treatment -2.191 -1.67 -1.48 -2.098 -1.56 -1.49 -1.568 -1.099565830721 -1.08606984572722 -2.3395 -0.9905 3214368 Ald1-H_000671 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D20 compound treatment -0.312 0.21 0.19 -0.525 0.00805 0.01 -0.332 0.136434169278997 0.134759586957699 0.1896 0.8251 3214370 Ald1-H_000672 ONC(=O)CCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D21 compound treatment -0.598 -0.0756 -0.07 -0.605 -0.072 -0.07 0.153 0.621434169278997 0.61380673489636 0.2762 0.4447 3214372 Ald1-H_000673 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D22 compound treatment -1.275 -0.753 -0.67 -1.0 -0.467 -0.44 -0.961 -0.492565830721003 -0.486520116245225 -0.9219 -0.9842 3214374 Ald1-H_000674 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D23 compound treatment -0.689 -0.167 -0.15 -0.577 -0.044 -0.04 -0.644 -0.175565830721003 -0.173410949448203 -0.2093 -0.9049 3214376 Ald1-H_000675 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 D24 compound treatment -0.97 -0.448 -0.4 -0.866 -0.333 -0.32 -1.854 -1.385565830721 -1.3685595040993 -1.2017 -0.8234 3214378 Ald1-H_000676 ONC(=O)CCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E01 mock treatment -0.041 0.481 0.43 -0.056 0.477 0.45 -0.046 0.422434169278997 0.417249245329776 0.749 0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E02 mock treatment -0.388 0.134 0.12 -0.183 0.35 0.33 -0.212 0.256434169278997 0.253286716344584 0.4074 0.9359 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E03 compound treatment -1.907 -1.38 -1.22 -1.403 -0.87 -0.83 -1.455 -0.986565830721003 -0.974456798887902 -1.7478 -0.9872 3214380 Ald1-H_000677 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(Br)s1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E04 compound treatment -0.517 0.00545 0.0 -0.548 -0.015 -0.01 -0.585 -0.116565830721003 -0.115135110832984 -0.0719 -0.6194 3214382 Ald1-H_000678 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(Br)s2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E05 compound treatment 0.267 0.789 0.7 -0.656 -0.123 -0.12 -0.118 0.350434169278997 0.346132967697645 0.5352 0.6793 3214384 Ald1-H_000679 COc1cc(/C=N/NC(=O)CCCCCC(=O)NO)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E06 compound treatment -0.391 0.131 0.12 -0.271 0.262 0.25 -0.667 -0.198565830721003 -0.196128649247356 0.098 0.2898 3214386 Ald1-H_000680 COc1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E07 compound treatment -2.569 -2.05 -1.81 -1.9 -1.37 -1.3 -2.0 -1.531565830721 -1.51276751152001 -2.6699 -0.991 3214388 Ald1-H_000681 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E08 compound treatment 0.164 0.686 0.61 -0.03 0.503 0.48 0.2 0.668434169278997 0.660229860572891 1.0083 0.9916 3214390 Ald1-H_000682 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E09 mock treatment -0.185 0.337 0.3 -0.162 0.371 0.35 -0.189 0.279434169278997 0.276004416143737 0.5357 0.9945 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E10 mock treatment -0.625 -0.103 -0.09 -0.44 0.093 0.09 -0.553 -0.084565830721003 -0.0835278763298147 -0.0494 -0.3253 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E11 compound treatment -1.759 -1.24 -1.09 -1.321 -0.788 -0.75 -0.983 -0.514565830721003 -0.508250089966154 -1.358 -0.9562 3214392 Ald1-H_000683 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E12 compound treatment -0.696 -0.174 -0.15 0.157 0.69 0.66 -0.373 0.095434169278997 0.0942628177505133 0.3454 0.5067 3214394 Ald1-H_000684 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E13 compound treatment -2.269 -1.75 -1.54 -2.211 -1.68 -1.6 -2.11 -1.641565830721 -1.62141738012465 -2.7505 -0.9998 3214396 Ald1-H_000685 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E14 compound treatment -0.61 -0.0876 -0.08 -1.0 -0.467 -0.44 -0.729 -0.260565830721003 -0.257367666097246 -0.4501 -0.8661 3214398 Ald1-H_000686 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E15 compound treatment -1.75 -1.23 -1.09 -1.731 -1.2 -1.14 -1.509 -1.040565830721 -1.027794007112 -1.8789 -0.9991 3214400 Ald1-H_000687 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E16 compound treatment -0.43 0.0924 0.08 -0.062 0.471 0.45 -0.655 -0.186565830721003 -0.184275936308667 0.1999 0.4063 3214402 Ald1-H_000688 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E17 mock treatment -0.041 0.481 0.43 -0.354 0.179 0.17 -0.273 0.195434169278997 0.193035425572918 0.4557 0.9159 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E18 mock treatment -0.622 -0.0996 -0.09 -0.702 -0.169 -0.16 -0.634 -0.165565830721003 -0.163533688665962 -0.2382 -0.9691 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E19 compound treatment -0.23 0.292 0.26 -0.536 -0.00295 0.0 -0.946 -0.477565830721003 -0.471704225071864 -0.1247 -0.2318 3214404 Ald1-H_000689 ONC(=O)CCCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E20 compound treatment 0.694 1.22 1.08 -0.048 0.485 0.46 -0.07 0.398434169278997 0.393543819452399 1.1149 0.9028 3214406 Ald1-H_000690 OC(=O)c1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E21 compound treatment 0.227 0.749 0.66 -0.621 -0.088 -0.08 -0.339 0.129434169278997 0.127845504410131 0.408 0.6 3214408 Ald1-H_000691 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E22 compound treatment -1.184 -0.662 -0.58 -1.204 -0.671 -0.64 -1.038 -0.569565830721003 -0.562575024268476 -1.0315 -0.9985 3214410 Ald1-H_000692 OC(=O)c1ccccc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E23 compound treatment 0.211 0.733 0.65 -0.129 0.404 0.38 -0.61 -0.141565830721003 -0.139828262788585 0.5159 0.6727 3214412 Ald1-H_000693 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 E24 compound treatment -0.567 -0.0446 -0.04 -0.685 -0.152 -0.14 -0.864 -0.395565830721003 -0.390710686657492 -0.3319 -0.793 3214414 Ald1-H_000694 OC(=O)c1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F01 mock treatment -0.857 -0.335 -0.3 -0.818 -0.285 -0.27 -0.833 -0.364565830721003 -0.360091178232547 -0.5354 -0.9928 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F02 mock treatment -0.375 0.147 0.13 0.441 0.974 0.93 -0.235 0.233434169278997 0.230569016545431 0.7441 0.7711 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F03 compound treatment -0.506 0.0164 0.01 -0.12 0.413 0.39 -0.507 -0.038565830721003 -0.0380924767315087 0.2136 0.5399 3214416 Ald1-H_000695 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cn(c3ccccc23)S(=O)(=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F04 compound treatment -0.457 0.0654 0.06 -1.571 -1.04 -0.99 -1.652 -1.183565830721 -1.16903883629804 -1.2124 -0.7913 3214418 Ald1-H_000696 ONC(=O)CCCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F05 compound treatment -0.556 -0.0336 -0.03 -0.233 0.3 0.29 0.189 0.657434169278997 0.649364873712426 0.5228 0.7362 3214420 Ald1-H_000697 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F06 compound treatment -0.784 -0.262 -0.23 -0.431 0.102 0.1 -0.66 -0.191565830721003 -0.189214566699787 -0.1866 -0.5939 3214422 Ald1-H_000698 ONC(=O)CCCCCC(=O)N/N=C/c1ccccn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F07 compound treatment -0.81 -0.288 -0.25 -0.821 -0.288 -0.27 -0.529 -0.060565830721003 -0.0598224504524376 -0.3397 -0.8969 3214424 Ald1-H_000699 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F08 compound treatment -0.369 0.153 0.14 -0.412 0.121 0.12 -0.165 0.303434169278997 0.299709842021114 0.3179 0.912 3214426 Ald1-H_000700 ONC(=O)CCCCCC(=O)N/N=C/c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F09 mock treatment 0.212 0.734 0.65 -0.382 0.151 0.14 -0.491 -0.022565830721003 -0.0222888594799239 0.4451 0.6689 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F10 mock treatment 0.138 0.66 0.58 0.099 0.632 0.6 0.154 0.622434169278997 0.614794460974584 1.0397 0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F11 compound treatment -0.293 0.229 0.2 -0.881 -0.348 -0.33 -0.655 -0.186565830721003 -0.184275936308667 -0.1807 -0.42 3214428 Ald1-H_000701 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F12 compound treatment 1.404 1.93 1.43 0.375 0.908 0.87 0.704 1.172434169279 1.15804380399781 1.9926 0.9806 3214430 Ald1-H_000702 Cc1ncc(CO)c(/C=N/NC(=O)CCCCCC(=O)NO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F13 compound treatment -0.011 0.511 0.45 -0.599 -0.066 -0.06 -0.432 0.036434169278997 0.0359869791352947 0.2456 0.5362 3214432 Ald1-H_000703 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc[nH]2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F14 compound treatment -1.412 -0.89 -0.79 -0.813 -0.28 -0.27 -0.125 0.343434169278997 0.339218885150076 -0.4122 -0.4595 3214434 Ald1-H_000704 ONC(=O)CCCCCC(=O)N/N=C/c1ccc[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F15 compound treatment -0.232 0.29 0.26 0.235 0.768 0.73 -0.263 0.205434169278997 0.202912686355158 0.6878 0.8581 3214436 Ald1-H_000705 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(cc2)N3CCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F16 compound treatment -0.729 -0.207 -0.18 -0.857 -0.324 -0.31 -0.937 -0.468565830721003 -0.462814690367848 -0.5508 -0.9408 3214438 Ald1-H_000706 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F17 mock treatment -0.506 0.0164 0.01 -0.2 0.333 0.32 -0.122 0.346434169278997 0.342182063384748 0.3891 0.8335 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F18 mock treatment 0.154 0.676 0.6 -0.42 0.113 0.11 -0.382 0.086434169278997 0.0853732830464969 0.4567 0.7443 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F19 compound treatment -0.839 -0.317 -0.28 0.05 0.583 0.56 -0.484 -0.015565830721003 -0.0153747769323556 0.1502 0.2415 3214440 Ald1-H_000707 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F20 compound treatment -1.549 -1.03 -0.91 -0.831 -0.298 -0.28 -0.68 -0.211565830721003 -0.208969088264268 -0.8085 -0.8304 3214442 Ald1-H_000708 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F21 compound treatment -1.212 -0.69 -0.61 -1.367 -0.834 -0.79 -0.8 -0.331565830721003 -0.327496217651154 -0.9997 -0.9489 3214444 Ald1-H_000709 CCCCCCC/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F22 compound treatment -1.089 -0.567 -0.5 -1.534 -1.0 -0.95 -1.435 -0.966565830721003 -0.954702277323422 -1.3909 -0.9664 3214446 Ald1-H_000710 CCCCCCC/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F23 compound treatment -0.679 -0.157 -0.14 -0.877 -0.344 -0.33 -0.667 -0.198565830721003 -0.196128649247356 -0.3823 -0.9412 3214448 Ald1-H_000711 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2nccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 F24 compound treatment 0.583 1.11 0.98 0.111 0.644 0.61 -0.136 0.332434169278997 0.328353898289612 1.1081 0.9236 3214450 Ald1-H_000712 ONC(=O)CCCCCC(=O)N/N=C/c1nccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G01 compound treatment -1.041 -0.519 -0.46 -1.374 -0.841 -0.8 -0.507 -0.038565830721003 -0.0380924767315087 -0.7492 -0.811 3214452 Ald1-H_000713 ONC(=O)CCCCCC(=O)N/N=C/c1ccccc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G02 compound treatment -0.566 -0.0436 -0.04 -0.667 -0.134 -0.13 -0.582 -0.113565830721003 -0.112171932598312 -0.1607 -0.9223 3214454 Ald1-H_000714 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccccc2Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G03 mock treatment -0.339 0.183 0.16 -0.245 0.288 0.27 -0.246 0.222434169278997 0.219704029684967 0.3789 0.9788 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G04 mock treatment -0.433 0.0894 0.08 -0.409 0.124 0.12 -0.333 0.135434169278997 0.133771860879475 0.1911 0.9789 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G05 compound treatment -0.441 0.0814 0.07 -0.348 0.185 0.18 -0.347 0.121434169278997 0.119943695784338 0.2126 0.9447 3214456 Ald1-H_000715 ONC(=O)CCCCCC(=O)N/N=C/c1cccnc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G06 compound treatment -0.536 -0.0136 -0.01 -0.705 -0.172 -0.16 -0.311 0.157434169278997 0.155501834600404 -0.0117 -0.0518 3214458 Ald1-H_000716 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccnc2Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G07 compound treatment -1.672 -1.15 -1.02 -1.928 -1.39 -1.33 -0.266 0.202434169278997 0.199949508120486 -1.2386 -0.7351 3214460 Ald1-H_000717 ONC(=O)CCCCCC(=O)N/N=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G08 compound treatment -0.383 0.139 0.12 -0.856 -0.323 -0.31 -0.195 0.273434169278997 0.270078059674393 0.0495 0.1157 3214462 Ald1-H_000718 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G09 compound treatment -0.164 0.358 0.32 0.239 0.772 0.74 -0.281 0.187434169278997 0.185133616947125 0.7145 0.8692 3214464 Ald1-H_000719 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G10 compound treatment -0.513 0.00945 0.01 -0.712 -0.179 -0.17 -0.512 -0.043565830721003 -0.0430311071226289 -0.1184 -0.6729 3214466 Ald1-H_000720 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G11 compound treatment 0.575 1.1 0.97 0.016 0.549 0.52 -0.221 0.247434169278997 0.244397181640568 1.0033 0.8886 3214468 Ald1-H_000721 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G12 compound treatment -0.771 -0.249 -0.22 -1.022 -0.489 -0.47 -0.651 -0.182565830721003 -0.180325031995771 -0.4999 -0.9161 3214469 Ald1-H_000722 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G13 compound treatment -0.908 -0.386 -0.34 -1.018 -0.485 -0.46 -0.803 -0.334565830721003 -0.330459395885826 -0.6543 -0.9877 3214470 Ald1-H_000723 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G14 compound treatment -0.84 -0.318 -0.28 -0.684 -0.151 -0.14 -0.179 0.289434169278997 0.285881676925978 -0.0801 -0.1881 3214472 Ald1-H_000724 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(C#N)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G15 compound treatment -1.2 -0.678 -0.6 -1.674 -1.14 -1.09 -1.676 -1.207565830721 -1.19274426217542 -1.662 -0.9656 3214474 Ald1-H_000725 ONC(=O)CCCCCC(=O)N/N=C/C1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G16 compound treatment -1.397 -0.875 -0.77 -1.424 -0.891 -0.85 -1.615 -1.146565830721 -1.13249297140375 -1.5903 -0.9861 3214476 Ald1-H_000726 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/C2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G17 compound treatment -1.162 -0.64 -0.57 -1.02 -0.487 -0.46 -0.706 -0.237565830721003 -0.234649966298093 -0.7298 -0.9501 3214478 Ald1-H_000727 COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G18 compound treatment -0.694 -0.172 -0.15 -0.75 -0.217 -0.21 -0.314 0.154434169278997 0.152538656365732 -0.1188 -0.3983 3214480 Ald1-H_000728 COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G19 mock treatment -0.47 0.0524 0.05 -0.361 0.172 0.16 0.508 0.976434169278997 0.964449492665896 0.6782 0.6925 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G20 mock treatment -0.397 0.125 0.11 -0.716 -0.183 -0.17 -0.034 0.434434169278997 0.429101958268464 0.2111 0.4434 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G21 compound treatment -1.113 -0.591 -0.52 -1.652 -1.12 -1.07 -1.447 -0.978565830721003 -0.96655499026211 -1.4749 -0.9635 3214482 Ald1-H_000729 ONC(=O)CCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G22 compound treatment 0.036 0.558 0.49 -0.842 -0.309 -0.29 -0.829 -0.360565830721003 -0.356140273919651 -0.0905 -0.1338 3214484 Ald1-H_000730 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G23 compound treatment 0.267 0.789 0.7 0.0 0.533 0.51 -0.403 0.065434169278997 0.0646310354037919 0.7335 0.8474 3214486 Ald1-H_000731 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 G24 compound treatment -0.342 0.18 0.16 -0.494 0.039 0.04 -0.267 0.201434169278997 0.198961782042262 0.2285 0.8864 3214488 Ald1-H_000732 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H01 compound treatment -0.351 0.171 0.15 -0.115 0.418 0.4 -0.353 0.115434169278997 0.114017339314994 0.3833 0.8689 3214490 Ald1-H_000733 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H02 compound treatment -0.74 -0.218 -0.19 -0.535 -0.00195 0.0 -1.068 -0.599565830721003 -0.592206806615197 -0.454 -0.7292 3214492 Ald1-H_000734 ONC(=O)CCCCCC(=O)N/N=C/c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H03 mock treatment -0.462 0.0604 0.05 -0.588 -0.055 -0.05 -0.512 -0.043565830721003 -0.0430311071226289 -0.0242 -0.2806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H04 mock treatment 0.045 0.567 0.5 0.011 0.544 0.52 -0.267 0.201434169278997 0.198961782042262 0.7037 0.9405 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H05 compound treatment -0.707 -0.185 -0.16 -0.612 -0.079 -0.08 0.5 0.968434169278997 0.956547684040104 0.4146 0.426 3214494 Ald1-H_000735 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(cc2)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H06 compound treatment -1.43 -0.908 -0.8 -2.024 -1.49 -1.42 -0.756 -0.287565830721003 -0.284036270209296 -1.4473 -0.874 3214496 Ald1-H_000736 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H07 compound treatment -1.159 -0.637 -0.56 -1.0 -0.467 -0.44 -1.162 -0.693565830721003 -0.685053057968257 -0.9773 -0.9852 3214498 Ald1-H_000737 Oc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H08 compound treatment 0.228 0.75 0.66 -0.706 -0.173 -0.16 0.275 0.743434169278997 0.734309316439694 0.7119 0.7096 3214500 Ald1-H_000738 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H09 compound treatment 0.259 0.781 0.69 -0.126 0.407 0.39 -0.635 -0.166565830721003 -0.164521414744186 0.5278 0.6522 3214502 Ald1-H_000739 Oc1cc(O)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H10 compound treatment 1.759 2.28 1.48 4.75 5.28 1.84 1.152 1.620434169279 1.49200325440987 2.7816 0.9946 3214504 Ald1-H_000740 ONC(=O)CCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H11 compound treatment -0.415 0.107 0.09 -0.012 0.521 0.5 0.0 0.468434169278997 0.462684644928082 0.6086 0.8882 3214506 Ald1-H_000741 COc1cc(OC)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H12 compound treatment -0.408 0.114 0.1 -0.655 -0.122 -0.12 -1.279 -0.810565830721003 -0.800617009120471 -0.4709 -0.5776 3214508 Ald1-H_000742 COc1cc(OC)c(/C=N/NC(=O)CCCCCC(=O)NO)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H13 compound treatment 0.0 0.522 0.46 -0.66 -0.127 -0.12 -0.229 0.239434169278997 0.236495373014776 0.3334 0.6257 3214510 Ald1-H_000743 COc1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H14 compound treatment -0.766 -0.244 -0.22 -0.944 -0.411 -0.39 -0.526 -0.057565830721003 -0.0568592722177655 -0.3832 -0.8507 3214512 Ald1-H_000744 COc1cc(/C=N/NC(=O)CCCCCC(=O)NO)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H15 compound treatment -0.765 -0.243 -0.21 -0.992 -0.459 -0.44 -1.08 -0.611565830721003 -0.604059519553886 -0.725 -0.9344 3214514 Ald1-H_000745 CC(C)(C)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H16 compound treatment -0.372 0.15 0.13 -0.483 0.05 0.05 -0.734 -0.265565830721003 -0.262306296488367 -0.0471 -0.1582 3214516 Ald1-H_000746 CC(C)(C)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H17 compound treatment -0.583 -0.0606 -0.05 -0.585 -0.052 -0.05 -1.183 -0.714565830721003 -0.705795305610962 -0.467 -0.6581 3214518 Ald1-H_000747 CC1=C(C/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H18 compound treatment -1.189 -0.667 -0.59 -0.851 -0.318 -0.3 -0.346 0.122434169278997 0.120931421862562 -0.4453 -0.6611 3214520 Ald1-H_000748 CC1=C(C/C=N/NC(=O)CCCCCC(=O)NO)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H19 mock treatment -0.634 -0.112 -0.1 -0.7 -0.167 -0.16 -0.748 -0.279565830721003 -0.276134461583503 -0.3082 -0.9239 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H20 mock treatment -0.347 0.175 0.16 0.679 1.21 1.15 -0.805 -0.336565830721003 -0.332434848042274 0.5643 0.4657 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H21 compound treatment -0.651 -0.129 -0.11 -0.696 -0.163 -0.16 -0.476 -0.00756583072100298 -0.00747296830656326 -0.1596 -0.8287 3214522 Ald1-H_000749 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H22 compound treatment -0.702 -0.18 -0.16 -1.042 -0.509 -0.48 -1.088 -0.619565830721003 -0.611961328179678 -0.7249 -0.9098 3214524 Ald1-H_000750 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H23 compound treatment -0.78 -0.258 -0.23 -0.77 -0.237 -0.23 -0.518 -0.049565830721003 -0.0489574635919732 -0.2901 -0.8943 3214526 Ald1-H_000751 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 H24 compound treatment -0.538 -0.0156 -0.01 0.022 0.555 0.53 -0.55 -0.081565830721003 -0.0805646980951426 0.2508 0.4688 3214528 Ald1-H_000752 NC(=O)COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I01 compound treatment -1.871 -1.35 -1.19 -1.366 -0.833 -0.79 -1.081 -0.612565830721003 -0.60504724563211 -1.4958 -0.9621 3214530 Ald1-H_000753 COc1cc(Cl)c(/C=N/NC(=O)CCCCCC(=O)NO)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I02 compound treatment -0.621 -0.0986 -0.09 -0.621 -0.088 -0.08 0.214 0.682434169278997 0.674058025668027 0.2905 0.4242 3214532 Ald1-H_000754 COc1cc(Cl)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I03 compound treatment -1.034 -0.512 -0.45 -0.621 -0.088 -0.08 -0.51 -0.041565830721003 -0.0410556549661808 -0.3332 -0.7215 3214534 Ald1-H_000755 ONC(=O)CCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I04 compound treatment -1.0 -0.478 -0.42 -0.891 -0.358 -0.34 -0.528 -0.059565830721003 -0.0588347243742136 -0.4746 -0.8694 3214536 Ald1-H_000756 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I05 mock treatment -0.303 0.219 0.19 0.018 0.551 0.52 -0.071 0.397434169278997 0.392556093374175 0.6417 0.9388 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I06 mock treatment -0.729 -0.207 -0.18 -0.602 -0.069 -0.07 -0.929 -0.460565830721003 -0.454912881742055 -0.406 -0.8209 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I07 compound treatment -1.755 -1.23 -1.09 -1.871 -1.34 -1.27 -1.968 -1.499565830721 -1.48116027701684 -2.2202 -0.9923 3214538 Ald1-H_000757 ONC(=O)CCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I08 compound treatment -0.373 0.149 0.13 -0.662 -0.129 -0.12 -0.044 0.424434169278997 0.419224697486224 0.2474 0.5421 3214540 Ald1-H_000758 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I09 compound treatment -1.132 -0.61 -0.54 -1.456 -0.923 -0.88 -1.714 -1.245565830721 -1.23027785314793 -1.5291 -0.9525 3214542 Ald1-H_000759 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I10 compound treatment -1.354 -0.832 -0.74 -1.278 -0.745 -0.71 -1.235 -0.766565830721003 -0.757157061678613 -1.2713 -0.9997 3214544 Ald1-H_000760 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I11 compound treatment -1.214 -0.692 -0.61 -0.712 -0.179 -0.17 -0.789 -0.320565830721003 -0.316631230790689 -0.6342 -0.8941 3214546 Ald1-H_000761 ONC(=O)CCCCCC(=O)N/N=C/c1ccc2OCCc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I12 compound treatment -0.764 -0.242 -0.21 -0.898 -0.365 -0.35 -0.982 -0.513565830721003 -0.50726236388793 -0.6169 -0.9476 3214548 Ald1-H_000762 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc3OCCc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I13 compound treatment -0.699 -0.177 -0.16 -0.723 -0.19 -0.18 0.197 0.665434169278997 0.657266682338218 0.1849 0.2644 3214550 Ald1-H_000763 ONC(=O)CCCCCC(=O)N/N=C/c1cccc(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I14 compound treatment -1.077 -0.555 -0.49 -0.523 0.01 0.01 -0.361 0.107434169278997 0.106115530689202 -0.2163 -0.4311 3214552 Ald1-H_000764 Oc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I15 compound treatment -0.429 0.0934 0.08 -0.339 0.194 0.18 -0.588 -0.119565830721003 -0.118098289067656 0.0862 0.3679 3214554 Ald1-H_000765 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I16 compound treatment -1.063 -0.541 -0.48 0.016 0.549 0.52 -0.448 0.020434169278997 0.0201833618837099 0.0377 0.0532 3214556 Ald1-H_000766 Oc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I17 compound treatment -0.358 0.164 0.15 0.042 0.575 0.55 -0.667 -0.198565830721003 -0.196128649247356 0.287 0.4785 3214558 Ald1-H_000767 ONC(=O)CCCCCC(=O)N/N=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I18 compound treatment -0.845 -0.323 -0.29 -1.042 -0.509 -0.48 -1.127 -0.658565830721003 -0.650482645230416 -0.8201 -0.9537 3214560 Ald1-H_000768 Oc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I19 compound treatment 0.13 0.652 0.58 -0.379 0.154 0.15 0.113 0.581434169278997 0.574297691767399 0.7493 0.906 3214562 Ald1-H_000769 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I20 compound treatment -0.319 0.203 0.18 -0.127 0.406 0.39 -0.2 0.268434169278997 0.265139429283273 0.4803 0.9562 3214564 Ald1-H_000770 Oc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I21 mock treatment -0.477 0.0454 0.04 -0.446 0.087 0.08 -0.344 0.124434169278997 0.122906874019011 0.142 0.9246 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I22 mock treatment -0.185 0.337 0.3 -0.58 -0.047 -0.04 -0.545 -0.076565830721003 -0.0756260677040224 0.1028 0.3304 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I23 compound treatment -0.683 -0.161 -0.14 -1.203 -0.67 -0.64 -0.755 -0.286565830721003 -0.283048544131072 -0.6139 -0.8616 3214566 Ald1-H_000771 COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 I24 compound treatment -0.13 0.392 0.35 -0.667 -0.134 -0.13 -0.407 0.061434169278997 0.0606801310908958 0.1617 0.4316 3214568 Ald1-H_000772 COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J01 compound treatment -1.407 -0.885 -0.78 -1.466 -0.933 -0.89 -1.512 -1.043565830721 -1.03075718534667 -1.5598 -0.9937 3214570 Ald1-H_000773 Oc1ccccc1NC(=O)CCCCCC(=O)NN=C2CCCCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J02 compound treatment -0.972 -0.45 -0.4 -1.081 -0.548 -0.52 -0.981 -0.512565830721003 -0.506274637809706 -0.8231 -0.9933 3214571 Ald1-H_000774 ONC(=O)CCCCCC(=O)NN=C1CCCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J03 compound treatment -1.363 -0.841 -0.74 -1.015 -0.482 -0.46 -1.246 -0.777565830721003 -0.768022048539077 -1.1375 -0.978 3214572 Ald1-H_000775 Oc1ccccc1NC(=O)CCCCCC(=O)NN=C2CCCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J04 compound treatment -0.02 0.502 0.44 -0.563 -0.03 -0.03 -0.531 -0.062565830721003 -0.0617979026088857 0.2043 0.4546 3214573 Ald1-H_000776 ONC(=O)CCCCCC(=O)NN=C1CCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J05 mock treatment -0.849 -0.327 -0.29 0.106 0.639 0.61 -0.339 0.129434169278997 0.127845504410131 0.2586 0.3771 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J06 mock treatment -0.119 0.403 0.36 -0.466 0.067 0.06 -0.316 0.152434169278997 0.150563204209284 0.3297 0.8403 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J07 compound treatment -1.536 -1.01 -0.9 -1.639 -1.11 -1.05 -0.837 -0.368565830721003 -0.364042082545443 -1.3358 -0.934 3214574 Ald1-H_000777 Oc1ccccc1NC(=O)CCCCCC(=O)NN=C2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J08 compound treatment -0.733 -0.211 -0.19 -0.443 0.09 0.09 -0.17 0.298434169278997 0.294771211629994 0.1122 0.3126 3214575 Ald1-H_000778 ONC(=O)CCCCCC(=O)NN=C1CCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J09 compound treatment -1.284 -0.762 -0.67 -1.559 -1.03 -0.98 -2.019 -1.550565830721 -1.53153430700626 -1.8372 -0.9482 3214215 Ald1-H_000779 NNC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J10 mock treatment -0.826 -0.304 -0.27 -0.649 -0.116 -0.11 -0.722 -0.253565830721003 -0.250453583549678 -0.3633 -0.9478 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J11 compound treatment -0.464 0.0584 0.05 -0.758 -0.225 -0.21 -0.443 0.025434169278997 0.0251219922748302 -0.0794 -0.3578 3214576 Ald1-H_000780 COc1cc(Br)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J12 compound treatment -0.694 -0.172 -0.15 -0.692 -0.159 -0.15 -0.803 -0.334565830721003 -0.330459395885826 -0.3658 -0.9287 3214578 Ald1-H_000781 COc1cc(Br)c(/C=N/NC(=O)CCCCCC(=O)NO)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J13 compound treatment -1.253 -0.731 -0.65 -1.611 -1.08 -1.03 -1.46 -0.991565830721003 -0.979395429279023 -1.5312 -0.9821 3214580 Ald1-H_000782 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/CCC2CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J14 compound treatment -0.6 -0.0776 -0.07 -0.931 -0.398 -0.38 -0.735 -0.266565830721003 -0.263294022566591 -0.4105 -0.8797 3214582 Ald1-H_000783 ONC(=O)CCCCCC(=O)N/N=C/CCC1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J15 compound treatment 0.545 1.07 0.94 1.031 1.56 1.47 0.053 0.521434169278997 0.515034127073956 1.6899 0.9286 3214584 Ald1-H_000784 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(cc2)N(c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J16 compound treatment -0.816 -0.294 -0.26 -0.274 0.259 0.25 -0.515 -0.046565830721003 -0.045994285357301 -0.0339 -0.0939 3214586 Ald1-H_000785 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J17 compound treatment -0.703 -0.181 -0.16 -0.582 -0.049 -0.05 -0.526 -0.057565830721003 -0.0568592722177655 -0.1519 -0.8644 3214588 Ald1-H_000786 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J18 compound treatment -0.294 0.228 0.2 -0.753 -0.22 -0.21 -0.692 -0.223565830721003 -0.220821801202957 -0.1319 -0.3609 3214590 Ald1-H_000787 ONC(=O)CCCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J19 compound treatment -1.859 -1.34 -1.18 -1.677 -1.14 -1.09 -1.192 -0.723565830721003 -0.714684840314979 -1.724 -0.98 3214215 Ald1-H_000788 NNC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J20 mock treatment -0.351 0.171 0.15 -0.379 0.154 0.15 -0.179 0.289434169278997 0.285881676925978 0.3373 0.9493 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J21 mock treatment -0.651 -0.129 -0.11 -0.54 -0.00695 -0.01 -0.679 -0.210565830721003 -0.207981362186044 -0.1895 -0.7993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J22 mock treatment -0.282 0.24 0.21 -0.321 0.212 0.2 0.231 0.699434169278997 0.690849368997836 0.6382 0.8504 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J23 compound treatment -1.898 -1.38 -1.22 -1.472 -0.939 -0.89 -1.323 -0.854565830721003 -0.844076956562329 -1.7059 -0.9863 3214215 Ald1-H_000789 NNC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 J24 mock treatment -0.239 0.283 0.25 -0.167 0.366 0.35 -0.636 -0.167565830721003 -0.16550914082241 0.2505 0.5442 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K01 compound treatment -0.902 -0.38 -0.34 -0.712 -0.179 -0.17 -0.892 -0.423565830721003 -0.418367016847766 -0.5337 -0.9484 3214592 Ald1-H_000790 COc1cccc(OC)c1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K02 compound treatment -0.397 0.125 0.11 -0.457 0.076 0.07 -0.462 0.00643416927899698 0.00635519678857331 0.1095 0.8259 3214594 Ald1-H_000791 COc1cccc(OC)c1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K03 compound treatment -0.429 0.0934 0.08 -0.316 0.217 0.21 -0.603 -0.134565830721003 -0.132914180241017 0.0903 0.3484 3214596 Ald1-H_000792 COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K04 compound treatment -0.26 0.262 0.23 -0.587 -0.054 -0.05 -0.754 -0.285565830721003 -0.282060818052848 -0.0586 -0.1588 3214598 Ald1-H_000793 COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K05 compound treatment 0.742 1.26 1.12 0.837 1.37 1.31 0.279 0.747434169278997 0.73826022075259 1.8252 0.9759 3214600 Ald1-H_000794 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K06 compound treatment 0.865 1.39 1.23 -0.388 0.145 0.14 -0.509 -0.040565830721003 -0.0400679288879567 0.7648 0.6193 3214602 Ald1-H_000795 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K07 mock treatment -0.127 0.395 0.35 -0.371 0.162 0.15 0.116 0.584434169278997 0.577260870002071 0.6243 0.9017 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K08 mock treatment -0.181 0.341 0.3 -0.324 0.209 0.2 0.114 0.582434169278997 0.575285417845623 0.6214 0.9145 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K09 compound treatment -1.242 -0.72 -0.64 -1.316 -0.783 -0.75 -2.439 -1.970565830721 -1.94637925986036 -1.9217 -0.8818 3214604 Ald1-H_000796 CC1(C)COC(CCC/C=N/NC(=O)CCCCCC(=O)NO)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K10 compound treatment -0.932 -0.41 -0.36 -1.214 -0.681 -0.65 -0.73 -0.261565830721003 -0.25835539217547 -0.7327 -0.9316 3214606 Ald1-H_000797 CC1(C)COC(CCC/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K11 compound treatment -0.283 0.239 0.21 -0.082 0.451 0.43 0.102 0.570434169278997 0.563432704906934 0.6956 0.9406 3214608 Ald1-H_000798 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCC(=O)NO)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K12 compound treatment 0.625 1.15 1.01 0.679 1.21 1.15 0.534 1.002434169279 0.990130370699721 1.824 0.9976 3214610 Ald1-H_000799 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCC(=O)Nc3ccccc3O)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K13 compound treatment -1.587 -1.06 -0.94 -0.794 -0.261 -0.25 -0.93 -0.461565830721003 -0.455900607820279 -0.9501 -0.8839 3214612 Ald1-H_000800 ONC(=O)CCCCCC(=O)N/N=C/c1cc(Br)cs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K14 compound treatment -0.748 -0.226 -0.2 -0.689 -0.156 -0.15 -0.253 0.215434169278997 0.212789947137399 -0.0781 -0.2385 3214614 Ald1-H_000801 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(Br)cs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K15 mock treatment 0.385 0.907 0.8 0.041 0.574 0.55 -0.099 0.369434169278997 0.364899763183901 0.9896 0.9541 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K16 mock treatment -0.303 0.219 0.19 -0.407 0.126 0.12 -0.429 0.039434169278997 0.0389501573699668 0.2038 0.8806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K17 compound treatment -1.424 -0.902 -0.8 -0.832 -0.299 -0.28 -0.624 -0.155565830721003 -0.153656427883722 -0.7133 -0.8292 3214616 Ald1-H_000802 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K18 compound treatment 0.24 0.762 0.67 0.353 0.886 0.84 -0.536 -0.067565830721003 -0.066736533000006 0.838 0.7743 3214618 Ald1-H_000803 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K19 compound treatment -0.085 0.437 0.39 -0.133 0.4 0.38 -1.286 -0.817565830721003 -0.807531091668039 -0.0229 -0.0235 3214620 Ald1-H_000804 ONC(=O)CCCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K20 compound treatment -0.156 0.366 0.32 -0.601 -0.068 -0.06 -0.207 0.261434169278997 0.258225346735705 0.2988 0.7125 3214622 Ald1-H_000805 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc-3c(Cc4ccccc43)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K21 compound treatment -0.852 -0.33 -0.29 -1.153 -0.62 -0.59 -0.854 -0.385565830721003 -0.380833425875252 -0.7291 -0.9584 3214624 Ald1-H_000806 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K22 compound treatment -0.32 0.202 0.18 -0.292 0.241 0.23 -0.481 -0.012565830721003 -0.0124115986976835 0.2287 0.785 3214626 Ald1-H_000807 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(F)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K23 mock treatment 0.044 0.566 0.5 -0.164 0.369 0.35 -0.256 0.212434169278997 0.209826768902726 0.6133 0.9481 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 K24 mock treatment -0.241 0.281 0.25 -0.143 0.39 0.37 -0.057 0.411434169278997 0.406384258469311 0.5928 0.9811 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L01 compound treatment -0.735 -0.213 -0.19 -0.771 -0.238 -0.23 -0.482 -0.013565830721003 -0.0133993247759075 -0.2471 -0.8384 3214628 Ald1-H_000808 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L02 compound treatment -0.634 -0.112 -0.1 -0.33 0.203 0.19 -0.39 0.078434169278997 0.0774714744207045 0.0995 0.4315 3214630 Ald1-H_000809 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L03 compound treatment -0.649 -0.127 -0.11 -0.591 -0.058 -0.06 -0.682 -0.213565830721003 -0.210944540420716 -0.2183 -0.8906 3214632 Ald1-H_000810 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L04 compound treatment 0.164 0.686 0.61 -0.484 0.049 0.05 -0.056 0.412434169278997 0.407371984547535 0.6126 0.8363 3214634 Ald1-H_000811 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L05 compound treatment -0.818 -0.296 -0.26 -0.753 -0.22 -0.21 -0.47 -0.00156583072100297 -0.00154661183721899 -0.2727 -0.8143 3214636 Ald1-H_000812 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L06 compound treatment -0.231 0.291 0.26 -0.493 0.04 0.04 -0.171 0.297434169278997 0.29378348555177 0.3404 0.867 3214638 Ald1-H_000813 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L07 mock treatment -0.275 0.247 0.22 -0.463 0.07 0.07 -0.552 -0.083565830721003 -0.0825401502515907 0.1172 0.4819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L08 mock treatment -0.174 0.348 0.31 -0.1 0.433 0.41 -0.472 -0.00356583072100297 -0.00352206399366708 0.414 0.8041 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L09 compound treatment -0.207 0.315 0.28 -0.886 -0.353 -0.34 -0.701 -0.232565830721003 -0.229711335906973 -0.1657 -0.3358 3214640 Ald1-H_000814 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L10 compound treatment -0.598 -0.0756 -0.07 -0.754 -0.221 -0.21 -0.573 -0.104565830721003 -0.103282397894296 -0.2197 -0.9013 3214641 Ald1-H_000815 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L11 compound treatment -0.583 -0.0606 -0.05 -0.892 -0.359 -0.34 -0.719 -0.250565830721003 -0.247490405315006 -0.3712 -0.8724 3214642 Ald1-H_000816 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L12 compound treatment -0.3 0.222 0.2 -0.634 -0.101 -0.1 -0.933 -0.464565830721003 -0.458863786054951 -0.2069 -0.407 3214643 Ald1-H_000817 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L13 compound treatment -0.914 -0.392 -0.35 -0.832 -0.299 -0.28 -0.8 -0.331565830721003 -0.327496217651154 -0.5534 -0.9968 3214644 Ald1-H_000818 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L14 compound treatment -0.791 -0.269 -0.24 -0.645 -0.112 -0.11 -0.737 -0.268565830721003 -0.265269474723039 -0.3518 -0.9466 3214646 Ald1-H_000819 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L15 mock treatment -0.075 0.447 0.4 -0.429 0.104 0.1 -0.469 -5.65830721002969E-4 -5.58885758994946E-4 0.2853 0.6996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L16 mock treatment -0.197 0.325 0.29 -0.067 0.466 0.44 -0.257 0.211434169278997 0.208839042824502 0.543 0.9547 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L17 compound treatment -0.569 -0.0466 -0.04 -0.693 -0.16 -0.15 -0.302 0.166434169278997 0.16439136930442 -0.0168 -0.0738 3214648 Ald1-H_000820 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L18 compound treatment -0.297 0.225 0.2 -0.701 -0.168 -0.16 -0.5 -0.031565830721003 -0.0311783941839403 0.0047 0.0182 3214650 Ald1-H_000821 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L19 compound treatment -0.534 -0.0116 -0.01 -1.081 -0.548 -0.52 -1.066 -0.597565830721003 -0.590231354458749 -0.648 -0.8224 3214652 Ald1-H_000822 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc[n+]([O-])cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L20 compound treatment 0.138 0.66 0.58 1.037 1.57 1.47 0.049 0.517434169278997 0.51108322276106 1.4807 0.8909 3214654 Ald1-H_000823 ONC(=O)CCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L21 compound treatment -0.324 0.198 0.18 -0.614 -0.081 -0.08 -0.117 0.351434169278997 0.347120693775869 0.2572 0.6486 3214656 Ald1-H_000824 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc3ccccc3n2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L22 compound treatment -0.684 -0.162 -0.14 -0.806 -0.273 -0.26 -0.789 -0.320565830721003 -0.316631230790689 -0.4154 -0.9574 3214658 Ald1-H_000825 ONC(=O)CCCCCC(=O)N/N=C/c1ccc2ccccc2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L23 mock treatment -0.483 0.0394 0.03 -0.712 -0.179 -0.17 -0.667 -0.198565830721003 -0.196128649247356 -0.1915 -0.7305 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 L24 mock treatment 0.469 0.991 0.88 0.233 0.766 0.73 0.013 0.481434169278997 0.475525083944994 1.2019 0.9727 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M01 compound treatment -0.912 -0.39 -0.34 -0.231 0.302 0.29 -0.017 0.451434169278997 0.445893301598273 0.2247 0.3552 3214660 Ald1-H_000826 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M02 compound treatment 0.057 0.579 0.51 -0.585 -0.052 -0.05 -0.54 -0.071565830721003 -0.0706874373129021 0.2264 0.4358 3214662 Ald1-H_000827 Oc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M03 compound treatment -2.286 -1.76 -1.56 -1.362 -0.829 -0.79 -1.088 -0.619565830721003 -0.611961328179678 -1.7094 -0.9231 3214664 Ald1-H_000828 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M04 compound treatment -0.798 -0.276 -0.24 -0.089 0.444 0.42 -0.364 0.104434169278997 0.10315235245453 0.1631 0.327 3214666 Ald1-H_000829 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(F)c(Oc3ccccc3)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M05 compound treatment -0.683 -0.161 -0.14 -2.0 -1.47 -1.4 -0.638 -0.169565830721003 -0.167484592978858 -0.9855 -0.6966 3214668 Ald1-H_000830 ONC(=O)CCCCCC(=O)N/N=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M06 compound treatment -0.64 -0.118 -0.1 -0.4 0.133 0.13 -1.071 -0.602565830721003 -0.595169984849869 -0.3304 -0.5353 3214670 Ald1-H_000831 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(F)ccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M07 compound treatment -1.603 -1.08 -0.96 -1.139 -0.606 -0.58 -1.157 -0.688565830721003 -0.680114427577137 -1.2775 -0.9774 3214672 Ald1-H_000832 ONC(=O)CCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M08 compound treatment -0.044 0.478 0.42 -0.387 0.146 0.14 -0.184 0.284434169278997 0.280943046534858 0.4867 0.9245 3214674 Ald1-H_000833 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2coc3ccccc3c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M09 mock treatment -0.03 0.492 0.44 -0.097 0.436 0.42 0.136 0.604434169278997 0.597015391566552 0.8359 0.9861 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M10 mock treatment -0.608 -0.0856 -0.08 -0.352 0.181 0.17 -0.533 -0.064565830721003 -0.0637733547653338 0.0191 0.096 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M11 compound treatment -1.125 -0.603 -0.53 -1.262 -0.729 -0.69 -0.792 -0.323565830721003 -0.319594409025361 -0.893 -0.9584 3214676 Ald1-H_000834 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M12 compound treatment -0.34 0.182 0.16 -0.173 0.36 0.34 -0.343 0.125434169278997 0.123894600097235 0.3627 0.9095 3214678 Ald1-H_000835 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M13 mock treatment -0.414 0.108 0.1 -0.407 0.126 0.12 -0.281 0.187434169278997 0.185133616947125 0.2316 0.9625 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M14 mock treatment -0.559 -0.0366 -0.03 -0.297 0.236 0.22 -0.228 0.240434169278997 0.237483099093 0.2483 0.7555 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M15 compound treatment -1.108 -0.586 -0.52 -0.632 -0.099 -0.09 -0.565 -0.0965658307210029 -0.0953805892685032 -0.4084 -0.7636 3214680 Ald1-H_000836 ONC(=O)CCCCCC(=O)N/N=C/c1cccc(c1)B(O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M16 compound treatment -1.625 -1.1 -0.97 -1.547 -1.01 -0.97 -1.056 -0.587565830721003 -0.580354093676509 -1.4555 -0.9769 3214682 Ald1-H_000837 OB(O)c1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M17 compound treatment -0.738 -0.216 -0.19 -0.157 0.376 0.36 0.14 0.608434169278997 0.600966295879448 0.4438 0.612 3214684 Ald1-H_000838 ONC(=O)CCCCCC(=O)N/N=C/c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M18 compound treatment -1.167 -0.645 -0.57 1.382 1.92 1.54 -1.31 -0.841565830721003 -0.831236517545416 0.0821 0.0445 3214686 Ald1-H_000839 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M19 compound treatment -1.242 -0.72 -0.64 -0.93 -0.397 -0.38 -0.818 -0.349565830721003 -0.345275287059186 -0.785 -0.9612 3214688 Ald1-H_000840 ONC(=O)CCCCCC(=O)N/N=C/c1ccoc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M20 compound treatment 0.106 0.628 0.56 -0.397 0.136 0.13 -0.289 0.179434169278997 0.177231808321333 0.4979 0.8335 3214690 Ald1-H_000841 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccoc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M21 compound treatment -1.381 -0.859 -0.76 -1.143 -0.61 -0.58 -1.269 -0.800565830721003 -0.79073974833823 -1.2303 -0.9917 3214692 Ald1-H_000842 ONC(=O)CCCCCC(=O)N/N=C/c1cccc(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M22 compound treatment -0.844 -0.322 -0.28 -0.754 -0.221 -0.21 -0.82 -0.351565830721003 -0.347250739215634 -0.4861 -0.9807 3214694 Ald1-H_000843 Oc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M23 compound treatment -0.659 -0.137 -0.12 -0.656 -0.123 -0.12 -0.738 -0.269565830721003 -0.266257200801263 -0.2911 -0.9241 3214696 Ald1-H_000844 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 M24 compound treatment -0.356 0.166 0.15 -0.187 0.346 0.33 -0.291 0.177434169278997 0.175256356164885 0.3765 0.9381 3214698 Ald1-H_000845 Oc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N01 compound treatment -1.184 -0.662 -0.58 -1.27 -0.737 -0.7 -1.08 -0.611565830721003 -0.604059519553886 -1.0918 -0.9967 3214700 Ald1-H_000846 Cc1ccccc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N02 compound treatment -1.899 -1.38 -1.22 -1.667 -1.13 -1.08 -1.49 -1.021565830721 -1.00902721162574 -1.9089 -0.9969 3214702 Ald1-H_000847 Cc1ccccc1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N03 compound treatment -0.554 -0.0316 -0.03 -0.609 -0.076 -0.07 -0.662 -0.193565830721003 -0.191190018856236 -0.1683 -0.8156 3214704 Ald1-H_000848 COc1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N04 compound treatment -0.471 0.0514 0.05 0.387 0.92 0.88 -0.235 0.233434169278997 0.230569016545431 0.6654 0.7333 3214706 Ald1-H_000849 COc1cc(/C=N/NC(=O)CCCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N05 compound treatment -0.859 -0.337 -0.3 -1.029 -0.496 -0.47 -0.857 -0.388565830721003 -0.383796604109924 -0.6662 -0.9832 3214708 Ald1-H_000850 O[C@@H](/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N06 compound treatment -0.252 0.27 0.24 -0.149 0.384 0.37 -0.289 0.179434169278997 0.177231808321333 0.4516 0.9575 3214710 Ald1-H_000851 ONC(=O)CCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N07 compound treatment -0.814 -0.292 -0.26 -0.839 -0.306 -0.29 -0.702 -0.233565830721003 -0.230699061985197 -0.4503 -0.9955 3214712 Ald1-H_000852 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N08 compound treatment -0.73 -0.208 -0.18 -0.386 0.147 0.14 -0.754 -0.285565830721003 -0.282060818052848 -0.1879 -0.5155 3214713 Ald1-H_000853 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N09 mock treatment -0.686 -0.164 -0.14 -0.424 0.109 0.1 -0.824 -0.355565830721003 -0.351201643528531 -0.2263 -0.5747 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N10 mock treatment 0.027 0.549 0.49 -0.395 0.138 0.13 -0.439 0.029434169278997 0.0290728965877263 0.3732 0.7403 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N11 compound treatment -0.348 0.174 0.15 -0.4 0.133 0.13 0.123 0.591434169278997 0.584174952549639 0.4995 0.8091 3214714 Ald1-H_000854 COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N12 compound treatment -0.456 0.0664 0.06 0.039 0.572 0.54 -0.806 -0.337565830721003 -0.333422574120498 0.156 0.2432 3214716 Ald1-H_000855 COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N13 mock treatment -1.087 -0.565 -0.5 -1.056 -0.523 -0.5 -0.894 -0.425565830721003 -0.420342469004214 -0.8185 -0.997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N14 mock treatment -2.347 -1.82 -1.61 -1.713 -1.18 -1.12 -1.565 -1.096565830721 -1.08310666749255 -2.2056 -0.9826 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N15 compound treatment -0.921 -0.399 -0.35 -0.569 -0.036 -0.03 -0.592 -0.123565830721003 -0.122049193380552 -0.2937 -0.7842 3214718 Ald1-H_000856 CCOc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N16 compound treatment -1.88 -1.36 -1.2 -1.162 -0.629 -0.6 -1.687 -1.218565830721 -1.20360924903588 -1.7338 -0.962 3214720 Ald1-H_000857 CCOc1cccc(/C=N/NC(=O)CCCCCC(=O)NO)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N17 compound treatment -0.317 0.205 0.18 -0.388 0.145 0.14 -0.477 -0.00856583072100298 -0.00846069438478731 0.1798 0.7871 3214722 Ald1-H_000858 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(I)cc(I)c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N18 compound treatment -0.821 -0.299 -0.26 -1.696 -1.16 -1.11 -0.821 -0.352565830721003 -0.348238465293858 -0.9931 -0.8339 3214724 Ald1-H_000859 ONC(=O)CCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N19 compound treatment -0.612 -0.0896 -0.08 -0.375 0.158 0.15 -0.87 -0.401565830721003 -0.396637043126837 -0.1878 -0.4351 3214726 Ald1-H_000860 CN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N20 compound treatment -0.233 0.289 0.26 -0.439 0.094 0.09 -0.656 -0.187565830721003 -0.185263662386891 0.0925 0.2817 3214728 Ald1-H_000861 CN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N21 compound treatment 0.412 0.934 0.83 -0.353 0.18 0.17 -0.321 0.147434169278997 0.145624573818164 0.6601 0.7709 3214730 Ald1-H_000862 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCC(=O)Nc4ccccc4O)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N22 compound treatment -1.814 -1.29 -1.14 -0.986 -0.453 -0.43 -1.521 -1.052565830721 -1.03964672005069 -1.5086 -0.9409 3214732 Ald1-H_000863 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCC(=O)NO)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N23 compound treatment -0.548 -0.0256 -0.02 -0.52 0.013 0.01 -0.806 -0.337565830721003 -0.333422574120498 -0.1984 -0.5932 3214734 Ald1-H_000864 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(c(F)c2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 N24 compound treatment -1.257 -0.735 -0.65 -1.688 -1.15 -1.1 -1.63 -1.161565830721 -1.14730886257711 -1.6726 -0.974 3214736 Ald1-H_000865 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O01 compound treatment -0.096 0.426 0.38 -0.858 -0.325 -0.31 -0.929 -0.460565830721003 -0.454912881742055 -0.2237 -0.3354 3214738 Ald1-H_000866 OCCOc1ccccc1/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O02 compound treatment 0.486 1.01 0.89 1.18 1.71 1.5 -0.481 -0.012565830721003 -0.0124115986976835 1.3751 0.787 3214740 Ald1-H_000867 OCCOc1ccccc1/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O03 compound treatment -1.045 -0.523 -0.46 -1.051 -0.518 -0.49 -1.036 -0.567565830721003 -0.560599572112028 -0.8753 -0.9967 3214742 Ald1-H_000868 OCCOc1cccc(/C=N/NC(=O)CCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O04 compound treatment -0.855 -0.333 -0.29 -0.887 -0.354 -0.34 -0.987 -0.518565830721003 -0.51220099427905 -0.6601 -0.9707 3214744 Ald1-H_000869 OCCOc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O05 compound treatment -1.28 -0.758 -0.67 -0.598 -0.065 -0.06 -0.225 0.243434169278997 0.240446277327672 -0.2836 -0.397 3214746 Ald1-H_000870 OCCOc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O06 compound treatment -0.288 0.234 0.21 -0.319 0.214 0.2 -0.554 -0.085565830721003 -0.0845156024080388 0.1886 0.6229 3214748 Ald1-H_000871 OCCOc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O07 compound treatment -0.514 0.00845 0.01 -0.837 -0.304 -0.29 0.057 0.525434169278997 0.518985031386852 0.1368 0.2301 3214750 Ald1-H_000872 COc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O08 compound treatment -0.212 0.31 0.27 -0.737 -0.204 -0.19 -0.259 0.209434169278997 0.206863590668054 0.1657 0.4197 3214752 Ald1-H_000873 COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O09 compound treatment -0.76 -0.238 -0.21 -0.928 -0.395 -0.38 -0.671 -0.202565830721003 -0.200079553560252 -0.454 -0.9556 3214754 Ald1-H_000874 COc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O10 compound treatment -0.123 0.399 0.35 0.269 0.802 0.76 -0.329 0.139434169278997 0.137722765192371 0.7245 0.8495 3214756 Ald1-H_000875 COc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O11 mock treatment 0.245 0.767 0.68 -0.338 0.195 0.19 -0.417 0.051434169278997 0.0508028703086553 0.5283 0.7491 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O12 mock treatment -0.371 0.151 0.13 -0.567 -0.034 -0.03 -0.369 0.099434169278997 0.0982137220634094 0.1153 0.6817 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O13 compound treatment -0.196 0.326 0.29 -0.472 0.061 0.06 0.174 0.642434169278997 0.634548982539065 0.5666 0.8099 3214758 Ald1-H_000876 COc1cc(/C=C/C=N/NC(=O)CCCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O14 compound treatment -0.769 -0.247 -0.22 -0.685 -0.152 -0.14 -0.593 -0.124565830721003 -0.123036919458776 -0.2805 -0.97 3214760 Ald1-H_000877 COc1cc(/C=C/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O15 compound treatment -1.362 -0.84 -0.74 -1.21 -0.677 -0.64 -1.222 -0.753565830721003 -0.7443166226617 -1.2306 -0.9979 3214762 Ald1-H_000878 Cc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O16 compound treatment -0.525 -0.00255 0.0 -0.741 -0.208 -0.2 -0.718 -0.249565830721003 -0.246502679236782 -0.258 -0.8158 3214764 Ald1-H_000879 Cc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O17 compound treatment 0.146 0.668 0.59 0.253 0.786 0.75 -0.099 0.369434169278997 0.364899763183901 0.9842 0.9636 3214766 Ald1-H_000880 OCc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O18 compound treatment 0.28 0.802 0.71 0.149 0.682 0.65 0.339 0.807434169278997 0.797523785446033 1.2452 0.9965 3214768 Ald1-H_000881 OCc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O19 compound treatment -0.658 -0.136 -0.12 -0.417 0.116 0.11 0.529 0.997434169278997 0.985191740308601 0.5634 0.5642 3214770 Ald1-H_000882 ONC(=O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O20 compound treatment 1.05 1.57 1.36 -0.476 0.057 0.05 0.812 1.280434169279 1.26471822044601 1.5454 0.8325 3214772 Ald1-H_000883 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc3ccccc3c2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O21 compound treatment -0.96 -0.438 -0.39 -1.313 -0.78 -0.74 -0.857 -0.388565830721003 -0.383796604109924 -0.8739 -0.9484 3214774 Ald1-H_000884 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O22 compound treatment -0.169 0.353 0.31 -0.338 0.195 0.19 -0.125 0.343434169278997 0.339218885150076 0.4835 0.9725 3214776 Ald1-H_000885 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(o2)c3cccc(Cl)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O23 compound treatment -0.516 0.00645 0.01 -0.707 -0.174 -0.17 0.247 0.715434169278997 0.706652986249421 0.3156 0.4348 3214778 Ald1-H_000886 ONC(=O)CCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 O24 compound treatment -0.562 -0.0396 -0.03 -0.471 0.062 0.06 -0.443 0.025434169278997 0.0251219922748302 0.0284 0.3889 3214780 Ald1-H_000887 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P01 compound treatment -0.766 -0.244 -0.22 -1.14 -0.607 -0.58 -1.276 -0.807565830721003 -0.797653830885799 -0.9187 -0.911 3214782 Ald1-H_000888 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2ccc(o2)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P02 compound treatment -0.48 0.0424 0.04 -0.322 0.211 0.2 -0.55 -0.081565830721003 -0.0805646980951426 0.0912 0.415 3214784 Ald1-H_000889 ONC(=O)CCCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P03 compound treatment -0.944 -0.422 -0.37 -0.596 -0.063 -0.06 -0.786 -0.317565830721003 -0.313668052556017 -0.4309 -0.8779 3214786 Ald1-H_000890 Cn1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P04 compound treatment -0.536 -0.0136 -0.01 -0.259 0.274 0.26 -0.338 0.130434169278997 0.128833230488355 0.2182 0.7488 3214788 Ald1-H_000891 Cn1cc(/C=N/NC(=O)CCCCCC(=O)NO)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P05 compound treatment -0.569 -0.0466 -0.04 -0.38 0.153 0.15 -0.3 0.168434169278997 0.166366821460868 0.1565 0.6954 3214790 Ald1-H_000892 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cn(Cc3ccccc3)c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P06 compound treatment -1.336 -0.814 -0.72 -1.738 -1.2 -1.15 -0.513 -0.044565830721003 -0.0440188332008529 -1.1034 -0.8141 3214792 Ald1-H_000893 ONC(=O)CCCCCC(=O)N/N=C/c1cn(Cc2ccccc2)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P07 compound treatment -0.796 -0.274 -0.24 -0.703 -0.17 -0.16 -0.667 -0.198565830721003 -0.196128649247356 -0.3463 -0.9869 3214794 Ald1-H_000894 Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/C2=CCCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P08 compound treatment -0.048 0.474 0.42 -0.558 -0.025 -0.02 -0.87 -0.401565830721003 -0.396637043126837 -5.0E-4 -0.001 3214796 Ald1-H_000895 ONC(=O)CCCCCC(=O)N/N=C/C1=CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P09 compound treatment -0.895 -0.373 -0.33 -0.857 -0.324 -0.31 1.914 2.382434169279 1.64275307874722 0.5801 0.3405 3214798 Ald1-H_000896 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P10 compound treatment -0.134 0.388 0.34 -0.014 0.519 0.49 -0.216 0.252434169278997 0.249335812031688 0.6277 0.9633 3214799 Ald1-H_000897 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P11 mock treatment -0.852 -0.33 -0.29 -0.704 -0.171 -0.16 -0.581 -0.112565830721003 -0.111184206520088 -0.3264 -0.9279 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P12 mock treatment 0.326 0.848 0.75 -0.256 0.277 0.26 0.079 0.547434169278997 0.540715005107781 0.8976 0.9335 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P13 compound treatment -0.763 -0.241 -0.21 -1.283 -0.75 -0.71 0.23 0.698434169278997 0.689861642919612 -0.137 -0.1349 3214800 Ald1-H_000898 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P14 compound treatment -0.417 0.105 0.09 -0.876 -0.343 -0.33 1.102 1.570434169279 1.47889483459546 0.719 0.4739 3214802 Ald1-H_000899 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P15 compound treatment 0.289 0.811 0.72 -1.024 -0.491 -0.47 -0.294 0.174434169278997 0.172293177930213 0.2436 0.2789 3214804 Ald1-H_000900 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)[C@H](O)[C@@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P16 compound treatment -0.178 0.344 0.3 -0.476 0.057 0.05 0.152 0.620434169278997 0.612819008818136 0.561 0.8172 3214806 Ald1-H_000901 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCCC(=O)NO)[C@H](O)[C@@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P17 compound treatment 0.634 1.16 1.02 -0.698 -0.165 -0.16 -0.618 -0.149565830721003 -0.147730071414378 0.4143 0.3965 3214808 Ald1-H_000902 C/C(=N\NC(=O)CCCCCC(=O)Nc1ccccc1O)/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P18 compound treatment 0.088 0.61 0.54 -0.541 -0.00795 -0.01 -0.668 -0.199565830721003 -0.19711637532558 0.1934 0.3366 3214810 Ald1-H_000903 C/C(=N\NC(=O)CCCCCC(=O)NO)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P19 compound treatment 3.232 3.75 1.63 5.097 5.63 1.86 1.251 1.719434169279 1.51647170788359 2.8864 0.9964 3214812 Ald1-H_000904 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P20 compound treatment 1.72 2.24 1.48 3.152 3.69 1.75 1.488 1.956434169279 1.56818510407955 2.7694 0.9975 3214814 Ald1-H_000905 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P21 compound treatment -0.37 0.152 0.13 -0.46 0.073 0.07 -0.119 0.349434169278997 0.34514524161942 0.3173 0.8415 3214816 Ald1-H_000906 CCOc1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P22 compound treatment -0.496 0.0264 0.02 -0.645 -0.112 -0.11 -0.736 -0.267565830721003 -0.264281748644815 -0.2007 -0.7017 3214818 Ald1-H_000907 CCOc1cc(/C=N/NC(=O)CCCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P23 compound treatment -0.39 0.132 0.12 -0.623 -0.09 -0.09 -0.493 -0.024565830721003 -0.024264311636372 0.0041 0.028 3214820 Ald1-H_000908 CN(CCO)c1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2133 P24 compound treatment 0.839 1.36 1.2 1.071 1.6 1.48 0.889 1.357434169279 1.34077312846926 2.3222 0.9965 3214822 Ald1-H_000909 CN(CCO)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A01 compound treatment -0.697 -0.175 -0.15 -0.682 -0.149 -0.14 -0.699 -0.230565830721003 -0.227735883750525 -0.3025 -0.9773 3214824 Ald1-H_000910 NNC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A02 compound treatment -1.27 -0.748 -0.66 -1.397 -0.864 -0.82 -1.406 -0.937565830721003 -0.926058221054924 -1.3914 -0.9909 3214825 Ald1-H_000911 COC(=O)CCCCCCC(=O)NN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A03 compound treatment -0.606 -0.0836 -0.07 -0.542 -0.00895 -0.01 -0.581 -0.112565830721003 -0.111184206520088 -0.1118 -0.8356 3214826 Ald1-H_000912 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A04 compound treatment -0.824 -0.302 -0.27 -0.625 -0.092 -0.09 -0.378 0.090434169278997 0.089324187359393 -0.1529 -0.5193 3214828 Ald1-H_000913 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A05 compound treatment -0.683 -0.161 -0.14 -0.489 0.044 0.04 -0.818 -0.349565830721003 -0.345275287059186 -0.2571 -0.6843 3214830 Ald1-H_000914 COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A06 compound treatment -1.145 -0.623 -0.55 0.596 1.13 1.08 -0.893 -0.424565830721003 -0.41935474292599 0.0611 0.0478 3214832 Ald1-H_000915 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A07 compound treatment -0.948 -0.426 -0.38 -0.61 -0.077 -0.07 -0.651 -0.182565830721003 -0.180325031995771 -0.3637 -0.8585 3214834 Ald1-H_000916 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A08 compound treatment 0.125 0.647 0.57 -0.211 0.322 0.31 0.341 0.809434169278997 0.799499237602481 0.9692 0.9409 3214836 Ald1-H_000917 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A09 compound treatment -0.623 -0.101 -0.09 -0.484 0.049 0.05 -0.66 -0.191565830721003 -0.189214566699787 -0.1336 -0.6236 3214838 Ald1-H_000918 ONC(=O)CCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A10 compound treatment -0.674 -0.152 -0.13 -0.446 0.087 0.08 -0.735 -0.266565830721003 -0.263294022566591 -0.1815 -0.5915 3214840 Ald1-H_000919 COC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A11 compound treatment -0.263 0.259 0.23 -0.787 -0.254 -0.24 -0.652 -0.183565830721003 -0.181312758073995 -0.1119 -0.2949 3214842 Ald1-H_000920 ONC(=O)CCCCC(=O)N/N=C/COCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A12 compound treatment -1.778 -1.26 -1.11 -1.587 -1.05 -1.0 -1.485 -1.016565830721 -1.00408858123462 -1.8003 -0.9988 3214844 Ald1-H_000921 COC(=O)CCCCCCC(=O)N/N=C/COCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A13 mock treatment -0.085 0.437 0.39 -0.259 0.274 0.26 -0.12 0.348434169278997 0.344157515541196 0.5727 0.9878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A14 mock treatment 0.186 0.708 0.63 -0.088 0.445 0.42 -0.024 0.444434169278997 0.438979219050705 0.8598 0.9832 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A15 compound treatment -1.068 -0.546 -0.48 -0.677 -0.144 -0.14 -0.768 -0.299565830721003 -0.295888983147984 -0.5285 -0.9077 3214846 Ald1-H_000922 ONC(=O)CCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A16 compound treatment -0.625 -0.103 -0.09 -0.754 -0.221 -0.21 -0.442 0.026434169278997 0.0261097183530542 -0.1588 -0.6884 3214848 Ald1-H_000923 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A17 compound treatment -0.974 -0.452 -0.4 -0.833 -0.3 -0.29 -0.444 0.024434169278997 0.0241342661966061 -0.3815 -0.7762 3214850 Ald1-H_000924 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A18 compound treatment -1.381 -0.859 -0.76 -0.703 -0.17 -0.16 -1.185 -0.716565830721003 -0.707770757767411 -0.9403 -0.8952 3214852 Ald1-H_000925 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A19 compound treatment -0.895 -0.373 -0.33 -0.646 -0.113 -0.11 -0.452 0.016434169278997 0.0162324575708138 -0.2429 -0.7003 3214854 Ald1-H_000926 ONC(=O)CCCCC(=O)N/N=C/c1cccc(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A20 compound treatment -0.831 -0.309 -0.27 -0.789 -0.256 -0.24 -0.837 -0.368565830721003 -0.364042082545443 -0.5085 -0.9851 3214856 Ald1-H_000927 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A21 compound treatment -1.356 -0.834 -0.74 -1.094 -0.561 -0.53 -0.804 -0.335565830721003 -0.33144712196405 -0.9254 -0.9552 3214858 Ald1-H_000928 ONC(=O)CCCCC(=O)N/N=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A22 compound treatment -1.087 -0.565 -0.5 -0.508 0.025 0.02 -0.889 -0.420565830721003 -0.415403838613093 -0.5142 -0.7913 3214860 Ald1-H_000929 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A23 compound treatment -0.25 0.272 0.24 -0.516 0.017 0.02 -0.242 0.226434169278997 0.223654933997863 0.2776 0.8434 3214862 Ald1-H_000930 ONC(=O)CCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 A24 compound treatment 0.167 0.689 0.61 -0.136 0.397 0.38 -0.141 0.327434169278997 0.323415267898492 0.757 0.962 3214864 Ald1-H_000931 COC(=O)CCCCCCC(=O)N/N=C/C(=C/c1ccccc1)/Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B01 compound treatment -0.657 -0.135 -0.12 -0.568 -0.035 -0.03 -0.602 -0.133565830721003 -0.131926454162793 -0.1641 -0.9078 3214866 Ald1-H_000932 COC(=O)CCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B02 compound treatment -1.429 -0.907 -0.8 -1.0 -0.467 -0.44 -0.839 -0.370565830721003 -0.366017534701891 -0.9309 -0.9431 3214868 Ald1-H_000933 ONC(=O)CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B03 compound treatment -0.217 0.305 0.27 0.369 0.902 0.86 0.216 0.684434169278997 0.676033477824475 1.0424 0.9255 3214870 Ald1-H_000934 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B04 compound treatment -0.117 0.405 0.36 0.026 0.559 0.53 0.071 0.539434169278997 0.532813196481989 0.8221 0.9854 3214872 Ald1-H_000935 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B05 compound treatment -1.455 -0.933 -0.82 -1.278 -0.745 -0.71 -1.035 -0.566565830721003 -0.559611846033804 -1.2088 -0.9881 3214874 Ald1-H_000936 COC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B06 compound treatment -0.426 0.0964 0.09 -0.596 -0.063 -0.06 -0.1 0.368434169278997 0.363912037105677 0.2247 0.5936 3214876 Ald1-H_000937 ONC(=O)CCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B07 compound treatment -0.193 0.329 0.29 0.262 0.795 0.76 -0.111 0.357434169278997 0.353047050245213 0.8093 0.9145 3214878 Ald1-H_000938 COC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B08 compound treatment -0.348 0.174 0.15 -0.562 -0.029 -0.03 -0.677 -0.208565830721003 -0.206005910029596 -0.0458 -0.177 3214880 Ald1-H_000939 ONC(=O)CCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B09 compound treatment -0.82 -0.298 -0.26 -0.62 -0.087 -0.08 -0.733 -0.264565830721003 -0.261318570410143 -0.3506 -0.9227 3214882 Ald1-H_000940 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B10 compound treatment -0.47 0.0524 0.05 -0.351 0.182 0.17 -0.173 0.295434169278997 0.291808033395322 0.2954 0.8621 3214884 Ald1-H_000941 ONC(=O)CCCCC(=O)N/N=C/c1ccc(cc1)n2ccnc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B11 compound treatment -0.852 -0.33 -0.29 -0.723 -0.19 -0.18 -0.727 -0.258565830721003 -0.255392213940798 -0.4201 -0.9825 3214886 Ald1-H_000942 COC(=O)CCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B12 compound treatment -0.169 0.353 0.31 -0.446 0.087 0.08 -0.323 0.145434169278997 0.143649121661715 0.3112 0.8797 3214888 Ald1-H_000943 ONC(=O)CCCCC(=O)N/N=C/c1c[nH]c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B13 mock treatment -0.743 -0.221 -0.19 -0.711 -0.178 -0.17 -0.607 -0.138565830721003 -0.136865084553913 -0.2895 -0.99 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B14 mock treatment -1.135 -0.613 -0.54 -0.819 -0.286 -0.27 -0.783 -0.314565830721003 -0.310704874321345 -0.6493 -0.9532 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B15 compound treatment -0.623 -0.101 -0.09 -0.284 0.249 0.24 -0.263 0.205434169278997 0.202912686355158 0.2028 0.6248 3214890 Ald1-H_000944 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(I)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B16 compound treatment 0.063 0.585 0.52 -0.55 -0.017 -0.02 -0.522 -0.053565830721003 -0.0529083679048693 0.259 0.4975 3214892 Ald1-H_000945 ONC(=O)CCCCC(=O)N/N=C/c1ccc(I)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B17 compound treatment -1.029 -0.507 -0.45 -0.942 -0.409 -0.39 -1.115 -0.646565830721003 -0.638629932291727 -0.8522 -0.9774 3214894 Ald1-H_000946 COC(=O)CCCCCCC(=O)N/N=C/C(=C\C)/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B18 compound treatment 0.085 0.607 0.54 -0.475 0.058 0.06 -0.333 0.135434169278997 0.133771860879475 0.4192 0.7537 3214896 Ald1-H_000947 C/C=C(/C)\C=N\NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B19 compound treatment -0.883 -0.361 -0.32 -0.75 -0.217 -0.21 -0.863 -0.394565830721003 -0.389722960579268 -0.5284 -0.9708 3214898 Ald1-H_000948 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B20 compound treatment -0.576 -0.0536 -0.05 -0.742 -0.209 -0.2 -0.939 -0.470565830721003 -0.464790142524296 -0.4106 -0.8085 3214900 Ald1-H_000949 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B21 compound treatment 2.667 3.19 1.58 2.6 3.13 1.7 2.603 3.071434169279 1.73095499853443 2.8968 0.9993 3214902 Ald1-H_000950 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(C)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B22 compound treatment -0.059 0.463 0.41 -0.169 0.364 0.35 -0.344 0.124434169278997 0.122906874019011 0.5078 0.922 3214904 Ald1-H_000951 Cc1ccc(/C=N/NC(=O)CCCCC(=O)NO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B23 compound treatment -0.414 0.108 0.1 -0.382 0.151 0.14 -0.424 0.044434169278997 0.043888787761087 0.1638 0.918 3214906 Ald1-H_000952 COC(=O)CCCCCCC(=O)N/N=C/c1nc[nH]c1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 B24 compound treatment 0.037 0.559 0.49 -0.171 0.362 0.34 -0.076 0.392434169278997 0.387617462983054 0.7085 0.9884 3214908 Ald1-H_000953 Cc1[nH]cnc1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C01 compound treatment -0.185 0.337 0.3 -0.295 0.238 0.23 -0.512 -0.043565830721003 -0.0430311071226289 0.2783 0.7379 3214910 Ald1-H_000954 ONC(=O)CCCCC(=O)N/N=C/c1ccc(Br)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C02 compound treatment -0.131 0.391 0.35 -0.389 0.144 0.14 -0.082 0.386434169278997 0.38169110651371 0.4994 0.9366 3214912 Ald1-H_000955 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C03 compound treatment -0.412 0.11 0.1 -0.477 0.056 0.05 -0.488 -0.019565830721003 -0.0193256812452518 0.076 0.6732 3214914 Ald1-H_000956 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C04 compound treatment -0.429 0.0934 0.08 -0.313 0.22 0.21 -0.354 0.114434169278997 0.11302961323677 0.234 0.9282 3214916 Ald1-H_000957 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C05 compound treatment -0.426 0.0964 0.09 0.026 0.559 0.53 -0.31 0.158434169278997 0.156489560678628 0.4471 0.796 3214918 Ald1-H_000958 ONC(=O)CCCCC(=O)N/N=C/c1cc(O)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C06 compound treatment -0.115 0.407 0.36 -0.291 0.242 0.23 -0.2 0.268434169278997 0.265139429283273 0.4942 0.982 3214920 Ald1-H_000959 COC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C07 compound treatment -0.262 0.26 0.23 -0.448 0.085 0.08 -0.091 0.377434169278997 0.372801571809694 0.395 0.8863 3214922 Ald1-H_000960 COc1cc(Br)cc(/C=N/NC(=O)CCCCC(=O)NO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C08 compound treatment 0.463 0.985 0.87 -0.651 -0.118 -0.11 -0.601 -0.132565830721003 -0.130938728084569 0.3625 0.4082 3214924 Ald1-H_000961 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(OC)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C09 compound treatment -0.633 -0.111 -0.1 -0.917 -0.384 -0.37 -0.456 0.012434169278997 0.0122815532579176 -0.2605 -0.6877 3214926 Ald1-H_000962 COc1ccc(Br)c(/C=N/NC(=O)CCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C10 compound treatment -0.377 0.145 0.13 -0.183 0.35 0.33 -0.451 0.017434169278997 0.0172201836490378 0.2767 0.7733 3214928 Ald1-H_000963 COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)ccc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C11 mock treatment -0.23 0.292 0.26 -0.551 -0.018 -0.02 -0.233 0.235434169278997 0.232544468701879 0.2737 0.786 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C12 mock treatment -0.455 0.0674 0.06 -0.674 -0.141 -0.13 -0.5 -0.031565830721003 -0.0311783941839403 -0.0611 -0.4068 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C13 compound treatment -0.728 -0.206 -0.18 -0.555 -0.022 -0.02 -0.636 -0.167565830721003 -0.16550914082241 -0.2126 -0.8616 3214930 Ald1-H_000964 COc1ccc(Br)cc1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C14 compound treatment -0.931 -0.409 -0.36 -0.125 0.408 0.39 -0.429 0.039434169278997 0.0389501573699668 0.0384 0.0721 3214932 Ald1-H_000965 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C15 mock treatment 0.593 1.12 0.99 -0.488 0.045 0.04 -0.034 0.434434169278997 0.429101958268464 0.8419 0.7822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C16 mock treatment -0.518 0.00445 0.0 -0.355 0.178 0.17 -0.645 -0.176565830721003 -0.174398675526427 -5.0E-4 -0.002 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C17 compound treatment -0.472 0.0504 0.04 -0.392 0.141 0.13 -0.317 0.151434169278997 0.14957547813106 0.1897 0.921 3214934 Ald1-H_000966 ONC(=O)CCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C18 compound treatment -0.491 0.0314 0.03 -0.45 0.083 0.08 -0.439 0.029434169278997 0.0290728965877263 0.0785 0.8846 3214936 Ald1-H_000967 COC(=O)CCCCCCC(=O)N/N=C/c1cc2OCOc2cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C19 compound treatment 0.281 0.803 0.71 -0.471 0.062 0.06 -0.014 0.454434169278997 0.448856479832945 0.7034 0.835 3214938 Ald1-H_000968 ONC(=O)CCCCC(=O)N/N=C/c1cccnc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C20 compound treatment -0.275 0.247 0.22 -0.216 0.317 0.3 -0.202 0.266434169278997 0.263163977126825 0.4526 0.9916 3214940 Ald1-H_000969 COC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C21 compound treatment -0.272 0.25 0.22 -0.099 0.434 0.41 -0.239 0.229434169278997 0.226618112232535 0.4974 0.9549 3214942 Ald1-H_000970 ONC(=O)CCCCC(=O)N/N=C/c1ccncc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C22 compound treatment -0.123 0.399 0.35 0.417 0.95 0.91 -0.219 0.249434169278997 0.246372633797016 0.8687 0.8667 3214944 Ald1-H_000971 COC(=O)CCCCCCC(=O)N/N=C/c1ccncc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C23 compound treatment -0.724 -0.202 -0.18 -0.606 -0.073 -0.07 -0.827 -0.358565830721003 -0.354164821763203 -0.3475 -0.8633 3214946 Ald1-H_000972 ONC(=O)CCCCC(=O)N/N=C/c1cc(Br)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 C24 compound treatment -0.838 -0.316 -0.28 -0.753 -0.22 -0.21 -0.911 -0.442565830721003 -0.437133812334022 -0.5344 -0.9555 3214948 Ald1-H_000973 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D01 compound treatment -0.83 -0.308 -0.27 -0.909 -0.376 -0.36 -0.766 -0.297565830721003 -0.293913530991536 -0.5335 -0.993 3214950 Ald1-H_000974 COC(=O)CCCCCCC(=O)N/N=C/c1sccc1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D02 compound treatment -0.393 0.129 0.11 -0.218 0.315 0.3 -0.661 -0.192565830721003 -0.190202292778011 0.1295 0.347 3214952 Ald1-H_000975 Cc1ccsc1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D03 compound treatment -1.025 -0.503 -0.44 -0.529 0.00405 0.0 -0.729 -0.260565830721003 -0.257367666097246 -0.4029 -0.7846 3214954 Ald1-H_000976 COC(=O)CCCCCCC(=O)N/N=C/C1=CC[C@H]2C[C@@H]1C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D04 compound treatment -0.565 -0.0426 -0.04 -0.682 -0.149 -0.14 -0.555 -0.086565830721003 -0.0855033284862628 -0.153 -0.9007 3214956 Ald1-H_000977 CC1(C)[C@@H]2C[C@H]1C(=CC2)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D05 compound treatment -0.853 -0.331 -0.29 -0.678 -0.145 -0.14 -0.628 -0.159565830721003 -0.157607332196618 -0.3394 -0.9439 3214958 Ald1-H_000978 COC(=O)CCCCCCC(=O)N/N=C/c1cccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D06 compound treatment 0.037 0.559 0.49 -0.287 0.246 0.23 -0.511 -0.042565830721003 -0.0420433810444048 0.3966 0.7225 3214960 Ald1-H_000979 ONC(=O)CCCCC(=O)N/N=C/c1cccc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D07 compound treatment -0.426 0.0964 0.09 -0.5 0.033 0.03 -0.503 -0.034565830721003 -0.0341415724186125 0.0477 0.4912 3214962 Ald1-H_000980 COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D08 compound treatment -0.943 -0.421 -0.37 -0.802 -0.269 -0.26 -0.285 0.183434169278997 0.181182712634229 -0.258 -0.5303 3214964 Ald1-H_000981 COc1cc(/C=N/NC(=O)CCCCC(=O)NO)c(cc1OC)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D09 compound treatment -0.183 0.339 0.3 -0.146 0.387 0.37 -0.627 -0.158565830721003 -0.156619606118394 0.2957 0.5908 3214966 Ald1-H_000982 COC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D10 compound treatment -0.434 0.0884 0.08 -0.649 -0.116 -0.11 -0.167 0.301434169278997 0.297734389864666 0.1533 0.4686 3214968 Ald1-H_000983 ONC(=O)CCCCC(=O)N/N=C/c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D11 mock treatment -0.615 -0.0926 -0.08 -0.254 0.279 0.27 -0.337 0.131434169278997 0.129820956566579 0.1812 0.5903 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D12 mock treatment -0.031 0.491 0.43 -0.236 0.297 0.28 -0.014 0.454434169278997 0.448856479832945 0.6734 0.9819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D13 compound treatment 0.015 0.537 0.48 -0.435 0.098 0.09 -0.043 0.425434169278997 0.420212423564448 0.5709 0.8904 3214970 Ald1-H_000984 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D14 compound treatment -0.677 -0.155 -0.14 -0.469 0.064 0.06 -0.712 -0.243565830721003 -0.240576322767438 -0.1826 -0.6444 3214972 Ald1-H_000985 ONC(=O)CCCCC(=O)N/N=C/c1ccc(s1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D15 mock treatment -0.353 0.169 0.15 -0.304 0.229 0.22 -0.408 0.060434169278997 0.0596924050126717 0.2469 0.9101 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D16 mock treatment 0.032 0.554 0.49 -0.263 0.27 0.26 -0.382 0.086434169278997 0.0853732830464969 0.4808 0.8584 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D17 compound treatment -1.096 -0.574 -0.51 -1.064 -0.531 -0.51 -1.196 -0.727565830721003 -0.718635744627875 -0.9997 -0.9853 3214974 Ald1-H_000986 COC(=O)CCCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D18 compound treatment -1.106 -0.584 -0.52 -1.057 -0.524 -0.5 -0.424 0.044434169278997 0.043888787761087 -0.5607 -0.7796 3214976 Ald1-H_000987 ONC(=O)CCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D19 compound treatment -1.202 -0.68 -0.6 -1.435 -0.902 -0.86 -1.292 -0.823565830721003 -0.813457448137383 -1.3126 -0.9891 3214978 Ald1-H_000988 COC(=O)CCCCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D20 compound treatment -0.722 -0.2 -0.18 -0.904 -0.371 -0.35 1.455 1.923434169279 1.5614981993578 0.5956 0.3698 3214980 Ald1-H_000989 ONC(=O)CCCCC(=O)N/N=C/CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D21 compound treatment -0.599 -0.0766 -0.07 -0.57 -0.037 -0.04 -0.873 -0.404565830721003 -0.399600221361509 -0.2901 -0.7131 3214982 Ald1-H_000990 COC(=O)CCCCCCC(=O)N/N=C/C1=CC[C@H](CC1)C(=C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D22 compound treatment -0.796 -0.274 -0.24 -0.902 -0.369 -0.35 1.258 1.726434169279 1.51813183506529 0.5339 0.3386 3214984 Ald1-H_000991 CC(=C)[C@H]1CCC(=CC1)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D23 compound treatment 0.795 1.32 1.16 -0.242 0.291 0.28 1.147 1.615434169279 1.49071609867655 1.6932 0.8856 3214986 Ald1-H_000992 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 D24 compound treatment -0.337 0.185 0.16 -0.152 0.381 0.36 -0.092 0.376434169278997 0.37181384573147 0.5189 0.9523 3214988 Ald1-H_000993 ONC(=O)CCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E01 mock treatment -0.306 0.216 0.19 -0.277 0.256 0.24 -0.11 0.358434169278997 0.354034776323437 0.4557 0.9684 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E02 mock treatment 0.0 0.522 0.46 0.246 0.779 0.74 0.244 0.712434169278997 0.703689808014749 1.1014 0.9815 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E03 compound treatment -0.389 0.133 0.12 -0.4 0.133 0.13 -0.169 0.299434169278997 0.295758937708218 0.312 0.9105 3214990 Ald1-H_000994 ONC(=O)CCCCC(=O)N/N=C/c1ccc(Br)s1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E04 compound treatment -0.533 -0.0106 -0.01 -0.32 0.213 0.2 -0.268 0.200434169278997 0.197974055964038 0.2261 0.797 3214992 Ald1-H_000995 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)s1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E05 compound treatment -0.306 0.216 0.19 -0.375 0.158 0.15 -0.091 0.377434169278997 0.372801571809694 0.4126 0.9267 3214994 Ald1-H_000996 COc1cc(/C=N/NC(=O)CCCCC(=O)NO)c(Br)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E06 compound treatment -0.623 -0.101 -0.09 -0.394 0.139 0.13 -0.574 -0.105565830721003 -0.10427012397252 -0.035 -0.1839 3214996 Ald1-H_000997 COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(O)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E07 compound treatment -0.627 -0.105 -0.09 -0.434 0.099 0.09 -0.675 -0.206565830721003 -0.204030457873148 -0.1167 -0.4801 3214998 Ald1-H_000998 ONC(=O)CCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E08 compound treatment 0.046 0.568 0.5 0.034 0.567 0.54 0.22 0.688434169278997 0.679984382137371 0.9946 0.9913 3215000 Ald1-H_000999 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E09 mock treatment -0.617 -0.0946 -0.08 -0.469 0.064 0.06 -0.286 0.182434169278997 0.180194986556005 0.091 0.4379 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E10 mock treatment -0.537 -0.0146 -0.01 -0.361 0.172 0.16 -0.442 0.026434169278997 0.0261097183530542 0.1023 0.6144 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E11 compound treatment -0.721 -0.199 -0.18 -0.787 -0.254 -0.24 -1.067 -0.598565830721003 -0.591219080536973 -0.5824 -0.8791 3215002 Ald1-H_001000 CC(C)(C)OC(=O)NC1(CCCC1)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E12 compound treatment -1.556 -1.03 -0.91 -1.458 -0.925 -0.88 -1.567 -1.098565830721 -1.085082119649 -1.6628 -0.9957 3215004 Ald1-H_001001 COC(=O)CCCCCCC(=O)N/N=C/C1(CCCC1)NC(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E13 compound treatment -0.505 0.0174 0.02 -0.987 -0.454 -0.43 -0.795 -0.326565830721003 -0.322557587260033 -0.427 -0.7912 3215006 Ald1-H_001002 CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E14 compound treatment -0.716 -0.194 -0.17 -1.172 -0.639 -0.61 -0.889 -0.420565830721003 -0.415403838613093 -0.6901 -0.9121 3215008 Ald1-H_001003 COC(=O)CCCCCCC(=O)N/N=C/[C@@H]1CCCN1C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E15 compound treatment -1.371 -0.849 -0.75 -1.029 -0.496 -0.47 -0.778 -0.309565830721003 -0.305766243930225 -0.8824 -0.9409 3215010 Ald1-H_001004 CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E16 compound treatment -0.744 -0.222 -0.2 -0.493 0.04 0.04 -0.5 -0.031565830721003 -0.0311783941839403 -0.1091 -0.54 3215012 Ald1-H_001005 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(NC(=O)OC(C)(C)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E17 mock treatment -0.667 -0.145 -0.13 -0.458 0.075 0.07 0.156 0.624434169278997 0.616769913131033 0.3236 0.5105 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E18 mock treatment -0.887 -0.365 -0.32 -0.422 0.111 0.11 -0.615 -0.146565830721003 -0.144766893179705 -0.2086 -0.5655 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E19 compound treatment -0.311 0.211 0.19 -0.169 0.364 0.35 -0.421 0.047434169278997 0.0468519659957592 0.3352 0.8449 3215014 Ald1-H_001006 ONC(=O)CCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E20 compound treatment -0.508 0.0144 0.01 -0.377 0.156 0.15 -0.5 -0.031565830721003 -0.0311783941839403 0.0752 0.4933 3215016 Ald1-H_001007 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E21 compound treatment -0.425 0.0974 0.09 -0.75 -0.217 -0.21 -0.75 -0.281565830721003 -0.278109913739951 -0.2302 -0.6446 3215018 Ald1-H_001008 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E22 compound treatment -0.883 -0.361 -0.32 -1.086 -0.553 -0.53 -0.978 -0.509565830721003 -0.503311459575033 -0.7788 -0.9793 3215020 Ald1-H_001009 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E23 compound treatment -0.367 0.155 0.14 -0.117 0.416 0.4 -0.129 0.339434169278997 0.33526798083718 0.5017 0.9343 3215022 Ald1-H_001010 ONC(=O)CCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 E24 compound treatment -0.738 -0.216 -0.19 -0.81 -0.277 -0.26 -0.952 -0.483565830721003 -0.477630581541208 -0.5381 -0.931 3215024 Ald1-H_001011 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F01 mock treatment -0.235 0.287 0.25 -0.487 0.046 0.04 -0.278 0.190434169278997 0.188096795181797 0.2806 0.8792 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F02 mock treatment -0.819 -0.297 -0.26 -0.609 -0.076 -0.07 -0.511 -0.042565830721003 -0.0420433810444048 -0.2174 -0.79 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F03 compound treatment -0.884 -0.362 -0.32 -0.015 0.518 0.49 -0.532 -0.063565830721003 -0.0627856286871098 0.0641 0.1085 3215026 Ald1-H_001012 COC(=O)CCCCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F04 compound treatment -0.534 -0.0116 -0.01 -0.098 0.435 0.41 -0.325 0.143434169278997 0.141673669505267 0.3152 0.7194 3215028 Ald1-H_001013 ONC(=O)CCCCC(=O)N/N=C/c1cn(c2ccccc12)S(=O)(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F05 compound treatment -0.2 0.322 0.29 -0.243 0.29 0.28 -0.264 0.204434169278997 0.201924960276934 0.4407 0.9894 3215030 Ald1-H_001014 COC(=O)CCCCCCC(=O)N/N=C/c1ccccn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F06 compound treatment -0.21 0.312 0.28 -0.41 0.123 0.12 -0.541 -0.072565830721003 -0.0716751633911262 0.1858 0.6022 3215032 Ald1-H_001015 ONC(=O)CCCCC(=O)N/N=C/c1ccccn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F07 compound treatment -0.596 -0.0736 -0.07 -0.516 0.017 0.02 -0.636 -0.167565830721003 -0.16550914082241 -0.1237 -0.6929 3215034 Ald1-H_001016 COC(=O)CCCCCCC(=O)N/N=C/c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F08 compound treatment -0.5 0.0224 0.02 -0.659 -0.126 -0.12 -0.603 -0.134565830721003 -0.132914180241017 -0.1346 -0.7469 3215036 Ald1-H_001017 ONC(=O)CCCCC(=O)N/N=C/c1cccnc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F09 mock treatment -0.265 0.257 0.23 -0.301 0.232 0.22 -0.237 0.231434169278997 0.228593564388983 0.391 0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F10 mock treatment -0.431 0.0914 0.08 -0.59 -0.057 -0.05 -0.446 0.022434169278997 0.022158814040158 0.0281 0.2819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F11 compound treatment 0.052 0.574 0.51 0.269 0.802 0.76 0.029 0.497434169278997 0.491328701196579 1.018 0.9782 3215038 Ald1-H_001018 COC(=O)CCCCCCC(=O)N/N=C/c1c(O)c(C)ncc1CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F12 compound treatment 0.139 0.661 0.58 -0.188 0.345 0.33 -0.049 0.419434169278997 0.414286067095104 0.7666 0.9723 3215040 Ald1-H_001019 Cc1ncc(CO)c(/C=N/NC(=O)CCCCC(=O)NO)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F13 compound treatment -0.299 0.223 0.2 -0.306 0.227 0.22 -0.542 -0.073565830721003 -0.0726628894693502 0.197 0.6527 3215042 Ald1-H_001020 COC(=O)CCCCCCC(=O)N/N=C/c1ccc[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F14 compound treatment -0.829 -0.307 -0.27 -0.626 -0.093 -0.09 -0.659 -0.190565830721003 -0.188226840621563 -0.3163 -0.9257 3215044 Ald1-H_001021 ONC(=O)CCCCC(=O)N/N=C/c1ccc[nH]1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F15 compound treatment -0.577 -0.0546 -0.05 -0.267 0.266 0.25 -0.253 0.215434169278997 0.212789947137399 0.2413 0.7216 3215046 Ald1-H_001022 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F16 compound treatment 0.086 0.608 0.54 -0.101 0.432 0.41 0.107 0.575434169278997 0.568371335298055 0.8764 0.9911 3215048 Ald1-H_001023 ONC(=O)CCCCC(=O)N/N=C/c1ccc(cc1)N2CCCC2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F17 mock treatment -0.397 0.125 0.11 0.318 0.851 0.81 0.06 0.528434169278997 0.521948209621524 0.8335 0.8587 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F18 mock treatment -0.6 -0.0776 -0.07 -0.262 0.271 0.26 -0.471 -0.00256583072100297 -0.00253433791544304 0.108 0.4043 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F19 compound treatment -0.545 -0.0226 -0.02 -0.606 -0.073 -0.07 -0.364 0.104434169278997 0.10315235245453 0.0079 0.0629 3215050 Ald1-H_001024 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F20 compound treatment -0.965 -0.443 -0.39 -0.929 -0.396 -0.38 -0.987 -0.518565830721003 -0.51220099427905 -0.7394 -0.9901 3215052 Ald1-H_001025 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F21 compound treatment -1.328 -0.806 -0.71 -1.139 -0.606 -0.58 -1.187 -0.718565830721003 -0.709746209923859 -1.1542 -0.9956 3215054 Ald1-H_001026 CCCCCCC/C=N/NC(=O)CCCCCCC(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F22 compound treatment -1.089 -0.567 -0.5 -1.163 -0.63 -0.6 -1.188 -0.719565830721003 -0.710733936002083 -1.046 -0.9901 3215056 Ald1-H_001027 CCCCCCC/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F23 compound treatment -0.19 0.332 0.29 -0.281 0.252 0.24 -0.284 0.184434169278997 0.182170438712453 0.4135 0.9822 3215058 Ald1-H_001028 COC(=O)CCCCCCC(=O)N/N=C/c1nccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 F24 compound treatment -0.019 0.503 0.45 -0.147 0.386 0.37 0.377 0.845434169278997 0.835057376418546 0.9514 0.9372 3215060 Ald1-H_001029 ONC(=O)CCCCC(=O)N/N=C/c1nccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G01 compound treatment -0.415 0.107 0.09 -0.169 0.364 0.35 -0.145 0.323434169278997 0.319464363585595 0.4395 0.9138 3215062 Ald1-H_001030 ONC(=O)CCCCC(=O)N/N=C/c1ccccc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G02 compound treatment 0.304 0.826 0.73 -1.238 -0.705 -0.67 -0.903 -0.434565830721003 -0.42923200370823 -0.2137 -0.1976 3215064 Ald1-H_001031 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G03 mock treatment -0.39 0.132 0.12 -0.321 0.212 0.2 -0.418 0.050434169278997 0.0498151442304313 0.213 0.8921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G04 mock treatment -0.267 0.255 0.23 -0.013 0.52 0.5 -0.239 0.229434169278997 0.226618112232535 0.5473 0.928 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G05 compound treatment -0.278 0.244 0.22 -0.305 0.228 0.22 -0.212 0.256434169278997 0.253286716344584 0.3964 0.9972 3215066 Ald1-H_001032 ONC(=O)CCCCC(=O)N/N=C/c1cccnc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G06 compound treatment -0.217 0.305 0.27 -0.264 0.269 0.26 -0.491 -0.022565830721003 -0.0222888594799239 0.291 0.7803 3215068 Ald1-H_001033 COC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G07 compound treatment -0.365 0.157 0.14 -0.316 0.217 0.21 -0.5 -0.031565830721003 -0.0311783941839403 0.1817 0.7235 3215070 Ald1-H_001034 ONC(=O)CCCCC(=O)N/N=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G08 compound treatment 0.384 0.906 0.8 -0.472 0.061 0.06 -0.13 0.338434169278997 0.334280254758956 0.6893 0.792 3215072 Ald1-H_001035 COC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G09 compound treatment 1.06 1.58 1.36 0.972 1.51 1.43 0.862 1.330434169279 1.31410452435721 2.3716 0.9994 3215074 Ald1-H_001036 C[C@H](CCC=C(C)C)C/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G10 compound treatment -0.681 -0.159 -0.14 -0.5 0.033 0.03 -0.408 0.060434169278997 0.0596924050126717 -0.0283 -0.1818 3215076 Ald1-H_001037 COC(=O)CCCCCCC(=O)N/N=C/C[C@H](C)CCC=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G11 compound treatment 0.74 1.26 1.12 0.771 1.3 1.24 0.578 1.046434169279 1.03359031814158 1.9584 0.9971 3215078 Ald1-H_001038 C[C@@H](CCC=C(C)C)C/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G12 compound treatment -0.547 -0.0246 -0.02 -0.812 -0.279 -0.27 -0.662 -0.193565830721003 -0.191190018856236 -0.2763 -0.8423 3215079 Ald1-H_001039 COC(=O)CCCCCCC(=O)N/N=C/C[C@@H](C)CCC=C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G13 compound treatment -0.802 -0.28 -0.25 -0.421 0.112 0.11 -0.669 -0.200565830721003 -0.198104101403804 -0.1954 -0.5847 3215080 Ald1-H_001040 ONC(=O)CCCCC(=O)N/N=C/c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G14 compound treatment 0.322 0.844 0.75 0.109 0.642 0.61 -0.228 0.240434169278997 0.237483099093 0.9213 0.9269 3215082 Ald1-H_001041 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(C#N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G15 compound treatment -0.737 -0.215 -0.19 -0.627 -0.094 -0.09 -0.637 -0.168565830721003 -0.166496866900634 -0.2573 -0.9609 3215084 Ald1-H_001042 ONC(=O)CCCCC(=O)N/N=C/C1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G16 compound treatment -1.471 -0.949 -0.84 -1.538 -1.0 -0.96 -1.873 -1.404565830721 -1.38732629958555 -1.8379 -0.9762 3215086 Ald1-H_001043 COC(=O)CCCCCCC(=O)N/N=C/C1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G17 compound treatment -0.418 0.104 0.09 -0.45 0.083 0.08 -0.255 0.213434169278997 0.21081449498095 0.2207 0.9069 3215088 Ald1-H_001044 COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G18 compound treatment -0.811 -0.289 -0.26 -0.652 -0.119 -0.11 -0.199 0.269434169278997 0.266127155361497 -0.0591 -0.1531 3215090 Ald1-H_001045 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G19 mock treatment -0.323 0.199 0.18 -0.409 0.124 0.12 0.294 0.762434169278997 0.753076111925951 0.6048 0.773 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G20 mock treatment 1.774 2.3 1.49 -0.5 0.033 0.03 -0.043 0.425434169278997 0.420212423564448 1.1183 0.7243 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G21 compound treatment -0.693 -0.171 -0.15 -0.909 -0.376 -0.36 -0.525 -0.056565830721003 -0.0558715461395415 -0.3261 -0.8306 3215092 Ald1-H_001046 ONC(=O)CCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G22 compound treatment -0.309 0.213 0.19 -0.489 0.044 0.04 -0.282 0.186434169278997 0.184145890868901 0.2395 0.897 3215094 Ald1-H_001047 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G23 compound treatment 0.457 0.979 0.87 0.515 1.05 1.0 0.072 0.540434169278997 0.533800922560213 1.3846 0.9714 3215096 Ald1-H_001048 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 G24 compound treatment -1.016 -0.494 -0.44 -1.187 -0.654 -0.62 -1.175 -0.706565830721003 -0.69789349698517 -1.0145 -0.9828 3215098 Ald1-H_001049 CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)OC)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H01 compound treatment -0.482 0.0404 0.04 -0.802 -0.269 -0.26 -0.564 -0.0955658307210029 -0.0943928631902791 -0.1818 -0.6601 3215100 Ald1-H_001050 COC(=O)CCCCCCC(=O)N/N=C/c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H02 compound treatment -0.167 0.355 0.31 -0.67 -0.137 -0.13 -0.518 -0.049565830721003 -0.0489574635919732 0.0778 0.2264 3215102 Ald1-H_001051 ONC(=O)CCCCC(=O)N/N=C/c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H03 mock treatment -0.16 0.362 0.32 -0.266 0.267 0.25 -0.318 0.150434169278997 0.148587752052836 0.4177 0.9595 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H04 mock treatment -0.262 0.26 0.23 0.127 0.66 0.63 -0.096 0.372434169278997 0.367862941418573 0.7084 0.9272 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H05 compound treatment 0.087 0.609 0.54 -0.48 0.053 0.05 -0.333 0.135434169278997 0.133771860879475 0.4175 0.7489 3215104 Ald1-H_001052 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H06 compound treatment -1.583 -1.06 -0.94 -1.268 -0.735 -0.7 -0.165 0.303434169278997 0.299709842021114 -0.7725 -0.6395 3215106 Ald1-H_001053 ONC(=O)CCCCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H07 compound treatment 0.644 1.17 1.03 0.0 0.533 0.51 0.092 0.560434169278997 0.553555444124694 1.2082 0.947 3215108 Ald1-H_001054 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H08 compound treatment 0.212 0.734 0.65 -0.098 0.435 0.41 -0.202 0.266434169278997 0.263163977126825 0.7661 0.9411 3215110 Ald1-H_001055 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)c(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H09 compound treatment 1.373 1.9 1.42 2.156 2.69 1.66 1.691 2.159434169279 1.60621949630513 2.7058 0.9979 3215112 Ald1-H_001056 COC(=O)CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H10 compound treatment 2.118 2.64 1.53 2.831 3.36 1.73 -0.171 0.297434169278997 0.29378348555177 2.0478 0.8815 3215114 Ald1-H_001057 ONC(=O)CCCCC(=O)N/N=C/c1c(O)cc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H11 compound treatment -1.096 -0.574 -0.51 -1.21 -0.677 -0.64 -0.524 -0.055565830721003 -0.0548838200613174 -0.6968 -0.8474 3215116 Ald1-H_001058 COC(=O)CCCCCCC(=O)N/N=C/c1c(OC)cc(OC)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H12 compound treatment 0.271 0.793 0.7 -0.296 0.237 0.23 -0.802 -0.333565830721003 -0.329471669807602 0.3452 0.4276 3215118 Ald1-H_001059 COc1cc(OC)c(/C=N/NC(=O)CCCCC(=O)NO)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H13 compound treatment -0.314 0.208 0.18 0.099 0.632 0.6 -0.179 0.289434169278997 0.285881676925978 0.6191 0.8952 3215120 Ald1-H_001060 COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H14 compound treatment -0.615 -0.0926 -0.08 -0.36 0.173 0.16 -0.701 -0.232565830721003 -0.229711335906973 -0.0847 -0.2877 3215122 Ald1-H_001061 COc1cc(/C=N/NC(=O)CCCCC(=O)NO)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H15 compound treatment -1.284 -0.762 -0.67 -1.5 -0.967 -0.92 -1.417 -0.948565830721003 -0.936923207915389 -1.4615 -0.9899 3215124 Ald1-H_001062 COC(=O)CCCCCCC(=O)N/N=C/C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H16 compound treatment -0.561 -0.0386 -0.03 -0.456 0.077 0.07 -0.489 -0.020565830721003 -0.0203134073234758 0.011 0.1315 3215126 Ald1-H_001063 CC(C)(C)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H17 compound treatment -0.986 -0.464 -0.41 -1.028 -0.495 -0.47 -0.983 -0.514565830721003 -0.508250089966154 -0.8023 -0.9962 3215128 Ald1-H_001064 COC(=O)CCCCCCC(=O)N/N=C/CC1=C(C)CCCC1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H18 compound treatment -1.034 -0.512 -0.45 -1.068 -0.535 -0.51 -0.78 -0.311565830721003 -0.307741696086673 -0.733 -0.9804 3215130 Ald1-H_001065 CC1=C(C/C=N/NC(=O)CCCCC(=O)NO)C(C)(C)CCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H19 mock treatment -0.69 -0.168 -0.15 -0.913 -0.38 -0.36 -0.345 0.123434169278997 0.121919147940787 -0.2241 -0.5471 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H20 mock treatment -0.309 0.213 0.19 -0.717 -0.184 -0.18 0.206 0.674434169278997 0.666156217042235 0.3924 0.5494 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H21 compound treatment -0.55 -0.0276 -0.02 -0.316 0.217 0.21 -0.219 0.249434169278997 0.246372633797016 0.2476 0.7675 3215132 Ald1-H_001066 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H22 compound treatment -0.435 0.0874 0.08 -0.616 -0.083 -0.08 -0.149 0.319434169278997 0.315513459272699 0.1812 0.5419 3215134 Ald1-H_001067 NC(=O)COc1ccccc1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H23 compound treatment 0.064 0.586 0.52 -0.062 0.471 0.45 0.0 0.468434169278997 0.462684644928082 0.8256 0.998 3215136 Ald1-H_001068 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCC(=O)N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 H24 compound treatment -0.347 0.175 0.16 0.117 0.65 0.62 0.124 0.592434169278997 0.585162678627863 0.7849 0.9064 3215138 Ald1-H_001069 NC(=O)COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I01 compound treatment -0.202 0.32 0.28 -0.368 0.165 0.16 -0.458 0.010434169278997 0.0103061011014695 0.2603 0.8029 3215140 Ald1-H_001070 COc1cc(Cl)c(/C=N/NC(=O)CCCCC(=O)NO)c(Cl)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I02 compound treatment -0.041 0.481 0.43 -0.136 0.397 0.38 0.013 0.481434169278997 0.475525083944994 0.7387 0.9957 3215142 Ald1-H_001071 COC(=O)CCCCCCC(=O)N/N=C/c1c(Cl)cc(OC)c(OC)c1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I03 compound treatment -1.014 -0.492 -0.43 -0.714 -0.181 -0.17 -0.59 -0.121565830721003 -0.120073741224104 -0.4198 -0.8696 3215144 Ald1-H_001072 ONC(=O)CCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I04 compound treatment -0.612 -0.0896 -0.08 -0.617 -0.084 -0.08 -0.353 0.115434169278997 0.114017339314994 -0.0261 -0.1627 3215146 Ald1-H_001073 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I05 mock treatment -0.729 -0.207 -0.18 0.386 0.919 0.88 -0.067 0.401434169278997 0.396506997687071 0.629 0.6429 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I06 mock treatment -0.705 -0.183 -0.16 -0.487 0.046 0.04 -0.431 0.037434169278997 0.0369747052135187 -0.0465 -0.2715 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I07 compound treatment -0.981 -0.459 -0.41 -0.824 -0.291 -0.28 -0.947 -0.478565830721003 -0.472691951150088 -0.667 -0.9785 3215148 Ald1-H_001074 ONC(=O)CCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I08 compound treatment -0.455 0.0674 0.06 -0.359 0.174 0.17 -0.575 -0.106565830721003 -0.105257850050744 0.0694 0.3381 3215150 Ald1-H_001075 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I09 compound treatment 0.418 0.94 0.83 0.403 0.936 0.89 0.917 1.385434169279 1.36842945865953 1.7849 0.9739 3215152 Ald1-H_001076 CCN(CC)c1ccc(/C=N/NC(=O)CCCCC(=O)NO)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I10 compound treatment 0.087 0.609 0.54 0.136 0.669 0.64 0.192 0.660434169278997 0.652328051947098 1.0557 0.9966 3215154 Ald1-H_001077 CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I11 compound treatment -0.361 0.161 0.14 -0.484 0.049 0.05 -0.583 -0.114565830721003 -0.113159658676536 0.0441 0.2343 3215156 Ald1-H_001078 ONC(=O)CCCCC(=O)N/N=C/c1ccc2OCCc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I12 compound treatment -0.6 -0.0776 -0.07 -0.954 -0.421 -0.4 -1.113 -0.644565830721003 -0.636654480135279 -0.6387 -0.8453 3215158 Ald1-H_001079 COC(=O)CCCCCCC(=O)N/N=C/c1ccc2OCCc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I13 compound treatment 0.04 0.562 0.5 -0.303 0.23 0.22 -0.184 0.284434169278997 0.280943046534858 0.5758 0.9413 3215160 Ald1-H_001080 ONC(=O)CCCCC(=O)N/N=C/c1cccc(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I14 compound treatment -0.134 0.388 0.34 -0.254 0.279 0.27 -0.214 0.254434169278997 0.251311264188136 0.4969 0.9902 3215162 Ald1-H_001081 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I15 compound treatment -0.48 0.0424 0.04 -0.338 0.195 0.19 -0.5 -0.031565830721003 -0.0311783941839403 0.1109 0.5775 3215164 Ald1-H_001082 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I16 compound treatment -0.24 0.282 0.25 0.111 0.644 0.61 -0.25 0.218434169278997 0.215753125372071 0.623 0.8942 3215166 Ald1-H_001083 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I17 compound treatment -0.597 -0.0746 -0.07 -0.502 0.031 0.03 0.212 0.680434169278997 0.672082573511579 0.367 0.543 3215168 Ald1-H_001084 ONC(=O)CCCCC(=O)N/N=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I18 compound treatment -0.557 -0.0346 -0.03 -0.312 0.221 0.21 -0.173 0.295434169278997 0.291808033395322 0.2724 0.7543 3215170 Ald1-H_001085 COC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I19 compound treatment -0.019 0.503 0.45 0.058 0.591 0.56 0.237 0.705434169278997 0.69677572546718 0.9843 0.984 3215172 Ald1-H_001086 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I20 compound treatment -0.132 0.39 0.35 -0.101 0.432 0.41 0.225 0.693434169278997 0.684923012528492 0.8324 0.9563 3215174 Ald1-H_001087 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I21 mock treatment -0.806 -0.284 -0.25 -0.562 -0.029 -0.03 -0.562 -0.0935658307210031 -0.0924174110338311 -0.214 -0.7968 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I22 mock treatment -0.323 0.199 0.18 -0.47 0.063 0.06 -0.449 0.019434169278997 0.0191956358054859 0.1476 0.788 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I23 compound treatment -0.778 -0.256 -0.23 -0.629 -0.096 -0.09 -0.661 -0.192565830721003 -0.190202292778011 -0.293 -0.9478 3215176 Ald1-H_001088 COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 I24 compound treatment -1.472 -0.95 -0.84 -0.923 -0.39 -0.37 -1.175 -0.706565830721003 -0.69789349698517 -1.1021 -0.9557 3215178 Ald1-H_001089 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J01 compound treatment -1.194 -0.672 -0.59 -0.641 -0.108 -0.1 -1.079 -0.610565830721003 -0.603071793475662 -0.7503 -0.8802 3215180 Ald1-H_001090 COC(=O)CCCCCCC(=O)NN=C1CCCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J02 compound treatment -0.485 0.0374 0.03 -0.798 -0.265 -0.25 -0.824 -0.355565830721003 -0.351201643528531 -0.3294 -0.7594 3215181 Ald1-H_001091 ONC(=O)CCCCC(=O)NN=C1CCCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J03 compound treatment -1.432 -0.91 -0.8 -1.179 -0.646 -0.62 -1.307 -0.838565830721003 -0.828273339310744 -1.2978 -0.992 3215182 Ald1-H_001092 COC(=O)CCCCCCC(=O)NN=C1CCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J04 compound treatment -0.432 0.0904 0.08 -0.257 0.276 0.26 -0.585 -0.116565830721003 -0.115135110832984 0.1315 0.4413 3215183 Ald1-H_001093 ONC(=O)CCCCC(=O)NN=C1CCCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J05 mock treatment -0.167 0.355 0.31 0.188 0.721 0.69 0.1 0.568434169278997 0.561457252750486 0.9022 0.9586 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J06 mock treatment -0.456 0.0664 0.06 -0.4 0.133 0.13 -0.455 0.013434169278997 0.0132692793361416 0.1148 0.8178 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J07 compound treatment -1.424 -0.902 -0.8 -1.2 -0.667 -0.64 -1.016 -0.547565830721003 -0.540845050547547 -1.1393 -0.9873 3215184 Ald1-H_001094 COC(=O)CCCCCCC(=O)NN=C1CCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J08 compound treatment -0.828 -0.306 -0.27 -0.69 -0.157 -0.15 -0.766 -0.297565830721003 -0.293913530991536 -0.412 -0.9665 3215185 Ald1-H_001095 ONC(=O)CCCCC(=O)NN=C1CCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J09 compound treatment -1.192 -0.67 -0.59 -1.141 -0.608 -0.58 -1.296 -0.827565830721003 -0.817408352450279 -1.1481 -0.9866 3214825 Ald1-H_001096 COC(=O)CCCCCCC(=O)NN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J10 compound treatment -0.268 0.254 0.22 -0.563 -0.03 -0.03 -0.343 0.125434169278997 0.123894600097235 0.1849 0.7157 3214824 Ald1-H_001097 NNC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J11 compound treatment -0.2 0.322 0.29 -0.227 0.306 0.29 -0.257 0.211434169278997 0.208839042824502 0.4535 0.9899 3215186 Ald1-H_001098 COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J12 compound treatment -0.298 0.224 0.2 -0.403 0.13 0.12 -0.255 0.213434169278997 0.21081449498095 0.3078 0.9775 3215188 Ald1-H_001099 COc1cc(Br)c(/C=N/NC(=O)CCCCC(=O)NO)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J13 compound treatment -1.145 -0.623 -0.55 0.684 1.22 1.16 -0.974 -0.505565830721003 -0.499360555262137 0.0633 0.046 3215190 Ald1-H_001100 COC(=O)CCCCCCC(=O)N/N=C/CCC1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J14 compound treatment -1.487 -0.965 -0.85 -0.725 -0.192 -0.18 -1.662 -1.193565830721 -1.17891609708028 -1.2786 -0.8719 3215192 Ald1-H_001101 ONC(=O)CCCCC(=O)N/N=C/CCC1CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J15 compound treatment -0.118 0.404 0.36 -0.024 0.509 0.48 -0.3 0.168434169278997 0.166366821460868 0.5825 0.9319 3215194 Ald1-H_001102 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J16 compound treatment -1.082 -0.56 -0.49 -0.342 0.191 0.18 -0.845 -0.376565830721003 -0.371943891171236 -0.3953 -0.6127 3215196 Ald1-H_001103 ONC(=O)CCCCC(=O)N/N=C/c1ccc(cc1)N(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J17 compound treatment -0.3 0.222 0.2 -0.338 0.195 0.19 -0.14 0.328434169278997 0.324402993976716 0.4081 0.9661 3215198 Ald1-H_001104 COC(=O)CCCCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J18 compound treatment -0.408 0.114 0.1 -0.417 0.116 0.11 -0.543 -0.074565830721003 -0.0736506155475743 0.0797 0.4774 3215200 Ald1-H_001105 ONC(=O)CCCCC(=O)N/N=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J19 compound treatment -1.556 -1.03 -0.91 -1.154 -0.621 -0.59 -1.328 -0.859565830721003 -0.849015586953449 -1.3593 -0.9846 3214825 Ald1-H_001106 COC(=O)CCCCCCC(=O)NN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J20 compound treatment -0.672 -0.15 -0.13 -0.556 -0.023 -0.02 -0.647 -0.178565830721003 -0.176374127682875 -0.1908 -0.8613 3214824 Ald1-H_001107 NNC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J21 mock treatment -0.295 0.227 0.2 -0.188 0.345 0.33 -0.212 0.256434169278997 0.253286716344584 0.4521 0.9804 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J22 mock treatment -0.492 0.0304 0.03 -0.557 -0.024 -0.02 -0.308 0.160434169278997 0.158465012835076 0.0939 0.5781 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J23 compound treatment -1.394 -0.872 -0.77 -1.484 -0.951 -0.91 -1.382 -0.913565830721003 -0.902352795177547 -1.4889 -0.9973 3214825 Ald1-H_001108 COC(=O)CCCCCCC(=O)NN 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 J24 compound treatment -0.065 0.457 0.4 -0.327 0.206 0.2 -0.197 0.271434169278997 0.268102607517945 0.5016 0.9583 3214824 Ald1-H_001109 NNC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K01 compound treatment -0.452 0.0704 0.06 -0.448 0.085 0.08 -0.534 -0.065565830721003 -0.0647610808435579 0.0453 0.3748 3215202 Ald1-H_001110 COc1cccc(OC)c1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K02 compound treatment -0.636 -0.114 -0.1 -1.382 -0.849 -0.81 -1.344 -0.875565830721003 -0.864819204205034 -1.0242 -0.8619 3215204 Ald1-H_001111 COC(=O)CCCCCCC(=O)N/N=C/c1c(OC)cccc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K03 compound treatment -0.173 0.349 0.31 -0.379 0.154 0.15 -0.346 0.122434169278997 0.120931421862562 0.3329 0.9177 3215206 Ald1-H_001112 COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K04 compound treatment -0.181 0.341 0.3 -0.435 0.098 0.09 -0.406 0.062434169278997 0.0616678571691198 0.2638 0.8194 3215208 Ald1-H_001113 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K05 compound treatment -0.111 0.411 0.36 -0.25 0.283 0.27 -0.505 -0.036565830721003 -0.0361170245750606 0.3448 0.7592 3215210 Ald1-H_001114 COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K06 compound treatment 0.353 0.875 0.77 0.434 0.967 0.92 0.17 0.638434169278997 0.630598078226169 1.3428 0.9885 3215212 Ald1-H_001115 COC(=O)CCCCCCC(=O)N/N=C/c1c(OC)cc(O)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K07 mock treatment -0.066 0.456 0.4 -0.415 0.118 0.11 -0.395 0.073434169278997 0.0725328440295843 0.3398 0.7992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K08 mock treatment 0.645 1.17 1.03 -0.286 0.247 0.24 -0.101 0.367434169278997 0.362924311027453 0.9413 0.8411 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K09 compound treatment -0.5 0.0224 0.02 -2.476 -1.94 -1.85 -1.815 -1.346565830721 -1.33003818704856 -1.8251 -0.8007 3215214 Ald1-H_001116 CC1(C)COC(CCC/C=N/NC(=O)CCCCC(=O)NO)OC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K10 compound treatment -1.053 -0.531 -0.47 -1.096 -0.563 -0.54 -1.103 -0.634565830721003 -0.626777219353039 -0.9423 -0.993 3215216 Ald1-H_001117 COC(=O)CCCCCCC(=O)N/N=C/CCCC1OCC(C)(C)CO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K11 compound treatment -0.13 0.392 0.35 -0.354 0.179 0.17 -0.125 0.343434169278997 0.339218885150076 0.4946 0.9617 3215218 Ald1-H_001118 Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCC(=O)NO)o2)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K12 compound treatment 0.09 0.612 0.54 -0.209 0.324 0.31 0.03 0.498434169278997 0.492316427274803 0.7751 0.9759 3215220 Ald1-H_001119 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Sc2nnc(C)n2C)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K13 compound treatment -0.674 -0.152 -0.13 -0.741 -0.208 -0.2 -0.566 -0.0975658307210029 -0.0963683153467272 -0.2474 -0.9594 3215222 Ald1-H_001120 ONC(=O)CCCCC(=O)N/N=C/c1cc(Br)cs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K14 compound treatment 0.381 0.903 0.8 -0.398 0.135 0.13 -0.315 0.153434169278997 0.151550930287508 0.6229 0.7568 3215224 Ald1-H_001121 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K15 mock treatment -0.5 0.0224 0.02 -0.278 0.255 0.24 -0.38 0.088434169278997 0.0873487352029449 0.2022 0.7807 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K16 mock treatment -0.455 0.0674 0.06 -0.28 0.253 0.24 -0.032 0.436434169278997 0.431077410424912 0.4225 0.8492 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K17 compound treatment -1.194 -0.672 -0.59 -0.663 -0.13 -0.12 -0.753 -0.284565830721003 -0.281073091974623 -0.5765 -0.8625 3215226 Ald1-H_001122 CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K18 compound treatment -1.234 -0.712 -0.63 -1.14 -0.607 -0.58 -0.897 -0.428565830721003 -0.423305647238886 -0.9414 -0.9873 3215228 Ald1-H_001123 COC(=O)CCCCCCC(=O)N/N=C/CNC(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K19 compound treatment -0.049 0.473 0.42 -0.358 0.175 0.17 -0.486 -0.017565830721003 -0.0173502290888037 0.3279 0.7273 3215230 Ald1-H_001124 ONC(=O)CCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K20 compound treatment -0.3 0.222 0.2 -0.612 -0.079 -0.08 -0.182 0.286434169278997 0.282918498691306 0.2335 0.662 3215232 Ald1-H_001125 COC(=O)CCCCCCC(=O)N/N=C/c1ccc-2c(Cc3ccccc32)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K21 compound treatment -0.207 0.315 0.28 -0.597 -0.064 -0.06 -0.373 0.095434169278997 0.0942628177505133 0.1803 0.5996 3215234 Ald1-H_001126 ONC(=O)CCCCC(=O)N/N=C/c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K22 compound treatment -0.263 0.259 0.23 -0.477 0.056 0.05 -0.515 -0.046565830721003 -0.045994285357301 0.1367 0.5697 3215236 Ald1-H_001127 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K23 mock treatment -0.23 0.292 0.26 -0.422 0.111 0.11 -0.289 0.179434169278997 0.177231808321333 0.3127 0.9451 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 K24 mock treatment 0.398 0.92 0.81 0.12 0.653 0.62 -0.1 0.368434169278997 0.363912037105677 1.0391 0.9559 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L01 compound treatment -0.776 -0.254 -0.22 -0.79 -0.257 -0.24 -0.556 -0.087565830721003 -0.0864910545644869 -0.3207 -0.9349 3215238 Ald1-H_001128 COC(=O)CCCCCCC(=O)N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L02 compound treatment -0.057 0.465 0.41 -0.75 -0.217 -0.21 -0.37 0.098434169278997 0.0972259959851854 0.1744 0.3705 3215240 Ald1-H_001129 OC[C@@H](O)[C@@H](O)[C@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L03 compound treatment -0.733 -0.211 -0.19 -0.477 0.056 0.05 -0.173 0.295434169278997 0.291808033395322 0.0918 0.2622 3215242 Ald1-H_001130 COC(=O)CCCCCCC(=O)N/N=C/C[C@H](O)[C@H](O)[C@@H](C)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L04 compound treatment -0.448 0.0744 0.07 -0.373 0.16 0.15 -0.366 0.102434169278997 0.101176900298082 0.1844 0.9485 3215244 Ald1-H_001131 C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L05 compound treatment -0.305 0.217 0.19 -1.0 -0.467 -0.44 -0.725 -0.256565830721003 -0.25341676178435 -0.2921 -0.5342 3215246 Ald1-H_001132 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L06 compound treatment -0.686 -0.164 -0.14 -0.813 -0.28 -0.27 -0.422 0.046434169278997 0.0458642399175351 -0.211 -0.6876 3215248 Ald1-H_001133 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L07 mock treatment -0.59 -0.0676 -0.06 -0.519 0.014 0.01 -0.23 0.238434169278997 0.235507646936552 0.1092 0.4488 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L08 mock treatment -0.598 -0.0756 -0.07 0.927 1.46 1.39 -0.558 -0.089565830721003 -0.088466506720935 0.7134 0.5113 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L09 compound treatment -0.899 -0.377 -0.33 -0.211 0.322 0.31 -0.75 -0.281565830721003 -0.278109913739951 -0.1756 -0.3306 3215250 Ald1-H_001134 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L10 compound treatment -0.45 0.0724 0.06 -0.484 0.049 0.05 -0.29 0.178434169278997 0.176244082243109 0.1657 0.8575 3215251 Ald1-H_001135 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L11 compound treatment -1.837 -1.31 -1.16 -1.358 -0.825 -0.79 -0.136 0.332434169278997 0.328353898289612 -0.9352 -0.649 3215252 Ald1-H_001136 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L12 compound treatment -0.683 -0.161 -0.14 -0.488 0.045 0.04 0.418 0.886434169278997 0.875554145625732 0.4483 0.5049 3215253 Ald1-H_001137 OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L13 compound treatment -0.954 -0.432 -0.38 -1.172 -0.639 -0.61 -0.925 -0.456565830721003 -0.450961977429159 -0.8321 -0.981 3215254 Ald1-H_001138 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L14 compound treatment -0.644 -0.122 -0.11 -0.234 0.299 0.28 -0.513 -0.044565830721003 -0.0440188332008529 0.077 0.2504 3215256 Ald1-H_001139 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L15 mock treatment -0.065 0.457 0.4 -0.277 0.256 0.24 -0.263 0.205434169278997 0.202912686355158 0.4915 0.9561 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L16 mock treatment -0.255 0.267 0.24 -0.31 0.223 0.21 0.483 0.951434169278997 0.939756340710295 0.8018 0.8082 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L17 compound treatment -0.229 0.293 0.26 0.906 1.44 1.37 -0.376 0.092434169278997 0.0912996395158411 0.994 0.7109 3215258 Ald1-H_001140 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L18 compound treatment -0.129 0.393 0.35 -0.665 -0.132 -0.13 -0.79 -0.321565830721003 -0.317618956868913 -0.0551 -0.1131 3215260 Ald1-H_001141 ONC(=O)CCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L19 compound treatment -0.632 -0.11 -0.1 -0.33 0.203 0.19 -0.481 -0.012565830721003 -0.0124115986976835 0.0486 0.2243 3215262 Ald1-H_001142 COC(=O)CCCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L20 compound treatment -0.568 -0.0456 -0.04 -0.454 0.079 0.08 0.075 0.543434169278997 0.536764100794885 0.3301 0.6074 3215264 Ald1-H_001143 ONC(=O)CCCCC(=O)N/N=C/c1cc[n+]([O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L21 compound treatment -0.683 -0.161 -0.14 -0.647 -0.114 -0.11 -0.379 0.089434169278997 0.088336461281169 -0.0936 -0.4697 3215266 Ald1-H_001144 COC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L22 compound treatment 0.282 0.804 0.71 0.059 0.592 0.56 0.069 0.537434169278997 0.530837744325541 1.0427 0.9916 3215268 Ald1-H_001145 ONC(=O)CCCCC(=O)N/N=C/c1ccc2ccccc2n1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L23 mock treatment -0.773 -0.251 -0.22 -0.458 0.075 0.07 -0.073 0.395434169278997 0.390580641217727 0.1389 0.3055 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 L24 mock treatment -0.483 0.0394 0.03 0.272 0.805 0.77 -0.189 0.279434169278997 0.276004416143737 0.6223 0.7627 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M01 compound treatment -0.277 0.245 0.22 -0.479 0.054 0.05 -0.298 0.170434169278997 0.168342273617317 0.2522 0.9026 3215270 Ald1-H_001146 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M02 compound treatment -0.466 0.0564 0.05 -0.406 0.127 0.12 -0.5 -0.031565830721003 -0.0311783941839403 0.0807 0.5996 3215272 Ald1-H_001147 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M03 compound treatment -1.215 -0.693 -0.61 -0.766 -0.233 -0.22 -0.656 -0.187565830721003 -0.185263662386891 -0.5886 -0.8693 3215274 Ald1-H_001148 ONC(=O)CCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M04 compound treatment -0.211 0.311 0.28 -0.176 0.357 0.34 -0.149 0.319434169278997 0.315513459272699 0.5375 0.9963 3215276 Ald1-H_001149 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M05 compound treatment 0.469 0.991 0.88 -0.279 0.254 0.24 0.089 0.557434169278997 0.550592265890022 0.9637 0.9065 3215278 Ald1-H_001150 ONC(=O)CCCCC(=O)N/N=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M06 compound treatment -0.932 -0.41 -0.36 -0.681 -0.148 -0.14 -0.755 -0.286565830721003 -0.283048544131072 -0.4538 -0.9441 3215280 Ald1-H_001151 COC(=O)CCCCCCC(=O)N/N=C/c1cc(F)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M07 compound treatment -0.346 0.176 0.16 -0.488 0.045 0.04 -0.56 -0.0915658307210031 -0.090441958877383 0.0626 0.3379 3215282 Ald1-H_001152 ONC(=O)CCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M08 compound treatment -0.492 0.0304 0.03 -0.414 0.119 0.11 -0.317 0.151434169278997 0.14957547813106 0.1674 0.8826 3215284 Ald1-H_001153 COC(=O)CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M09 mock treatment -0.47 0.0524 0.05 -0.342 0.191 0.18 -0.382 0.086434169278997 0.0853732830464969 0.1811 0.878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M10 mock treatment -0.508 0.0144 0.01 -0.243 0.29 0.28 -0.265 0.203434169278997 0.20093723419871 0.2829 0.8275 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M11 compound treatment -1.055 -0.533 -0.47 -0.972 -0.439 -0.42 -0.726 -0.257565830721003 -0.254404487862574 -0.6601 -0.972 3215286 Ald1-H_001154 CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M12 compound treatment -0.612 -0.0896 -0.08 -0.474 0.059 0.06 -0.766 -0.297565830721003 -0.293913530991536 -0.1829 -0.5909 3215288 Ald1-H_001155 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(NC(=O)OC(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M13 mock treatment -0.324 0.198 0.18 -0.029 0.504 0.48 -0.094 0.374434169278997 0.369838393575022 0.5921 0.9383 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M14 mock treatment 0.065 0.587 0.52 -0.191 0.342 0.33 -0.039 0.429434169278997 0.424163327877344 0.7329 0.983 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M15 compound treatment -0.775 -0.253 -0.22 -0.438 0.095 0.09 -0.323 0.145434169278997 0.143649121661715 0.0063 0.0225 3215290 Ald1-H_001156 ONC(=O)CCCCC(=O)N/N=C/c1cccc(c1)B(O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M16 compound treatment -0.757 -0.235 -0.21 -0.542 -0.00895 -0.01 -0.489 -0.020565830721003 -0.0203134073234758 -0.1364 -0.654 3215292 Ald1-H_001157 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(c1)B(O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M17 compound treatment -0.121 0.401 0.35 -0.049 0.484 0.46 -0.345 0.123434169278997 0.121919147940787 0.5415 0.9109 3215294 Ald1-H_001158 ONC(=O)CCCCC(=O)N/N=C/c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M18 compound treatment 1.175 1.7 1.38 1.127 1.66 1.49 1.543 2.011434169279 1.57899992426855 2.5718 0.9986 3215296 Ald1-H_001159 COC(=O)CCCCCCC(=O)N/N=C/c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M19 compound treatment -0.71 -0.188 -0.17 -0.565 -0.032 -0.03 -0.023 0.445434169278997 0.439966945128929 0.1407 0.2986 3215298 Ald1-H_001160 ONC(=O)CCCCC(=O)N/N=C/c1ccoc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M20 compound treatment 0.677 1.2 1.06 0.576 1.11 1.06 0.634 1.102434169279 1.08890297852213 1.8509 0.9999 3215300 Ald1-H_001161 COC(=O)CCCCCCC(=O)N/N=C/c1ccoc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M21 compound treatment -1.054 -0.532 -0.47 -0.778 -0.245 -0.23 -0.982 -0.513565830721003 -0.50726236388793 -0.6989 -0.9577 3215302 Ald1-H_001162 ONC(=O)CCCCC(=O)N/N=C/c1cccc(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M22 compound treatment -0.738 -0.216 -0.19 -0.629 -0.096 -0.09 -0.872 -0.403565830721003 -0.398612495283285 -0.3929 -0.8709 3215304 Ald1-H_001163 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M23 compound treatment -0.712 -0.19 -0.17 -0.704 -0.171 -0.16 -0.292 0.176434169278997 0.174268630086661 -0.0902 -0.3093 3215306 Ald1-H_001164 ONC(=O)CCCCC(=O)N/N=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 M24 compound treatment -0.191 0.331 0.29 0.119 0.652 0.62 -0.227 0.241434169278997 0.238470825171224 0.6655 0.9153 3215308 Ald1-H_001165 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N01 compound treatment -0.378 0.144 0.13 -0.8 -0.267 -0.25 -0.595 -0.126565830721003 -0.125012371615224 -0.1453 -0.4674 3215310 Ald1-H_001166 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N02 compound treatment -0.294 0.228 0.2 -0.853 -0.32 -0.3 -0.793 -0.324565830721003 -0.320582135103585 -0.2445 -0.5027 3215312 Ald1-H_001167 Cc1ccccc1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N03 compound treatment -0.753 -0.231 -0.2 -0.537 -0.00395 0.0 -0.725 -0.256565830721003 -0.25341676178435 -0.2662 -0.8184 3215314 Ald1-H_001168 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N04 compound treatment -0.219 0.303 0.27 -0.092 0.441 0.42 -0.348 0.120434169278997 0.118955969706114 0.4662 0.9096 3215316 Ald1-H_001169 COc1cc(/C=N/NC(=O)CCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N05 compound treatment -0.508 0.0144 0.01 0.012 0.545 0.52 0.0 0.468434169278997 0.462684644928082 0.5743 0.8256 3215318 Ald1-H_001170 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N06 compound treatment -0.431 0.0914 0.08 -0.493 0.04 0.04 -0.714 -0.245565830721003 -0.242551774923886 -0.0713 -0.2759 3215320 Ald1-H_001171 ONC(=O)CCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N07 compound treatment -1.426 -0.904 -0.8 -1.056 -0.523 -0.5 -0.881 -0.412565830721003 -0.407502029987301 -0.9841 -0.9593 3215322 Ald1-H_001172 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N08 compound treatment -0.574 -0.0516 -0.05 -0.671 -0.138 -0.13 -0.342 0.126434169278997 0.124882326175459 -0.0301 -0.161 3215323 Ald1-H_001173 OC[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N09 mock treatment -0.417 0.105 0.09 -0.286 0.247 0.24 -0.299 0.169434169278997 0.167354547539093 0.2863 0.9435 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N10 mock treatment -0.358 0.164 0.15 -0.299 0.234 0.22 -0.271 0.197434169278997 0.195010877729366 0.3253 0.9857 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N11 compound treatment -0.306 0.216 0.19 -0.463 0.07 0.07 -0.417 0.051434169278997 0.0508028703086553 0.1783 0.8536 3215324 Ald1-H_001174 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N12 compound treatment -0.289 0.233 0.21 -0.429 0.104 0.1 -0.3 0.168434169278997 0.166366821460868 0.2724 0.9626 3215326 Ald1-H_001175 COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N13 mock treatment -0.589 -0.0666 -0.06 -0.589 -0.056 -0.05 -0.48 -0.011565830721003 -0.0114238726194594 -0.0713 -0.8894 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N14 mock treatment -0.883 -0.361 -0.32 -0.582 -0.049 -0.05 -0.565 -0.0965658307210029 -0.0953805892685032 -0.266 -0.7918 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N15 compound treatment -0.456 0.0664 0.06 -0.354 0.179 0.17 -0.412 0.056434169278997 0.0557415006997756 0.1646 0.8716 3215328 Ald1-H_001176 CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)OC)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N16 compound treatment -0.986 -0.464 -0.41 -0.807 -0.274 -0.26 -1.261 -0.792565830721003 -0.782837939712438 -0.8393 -0.9109 3215330 Ald1-H_001177 CCOc1cccc(/C=N/NC(=O)CCCCC(=O)NO)c1OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N17 compound treatment -0.317 0.205 0.18 0.013 0.546 0.52 -0.226 0.242434169278997 0.239458551249448 0.5435 0.9046 3215332 Ald1-H_001178 COC(=O)CCCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N18 compound treatment -0.731 -0.209 -0.18 -0.606 -0.073 -0.07 -0.545 -0.076565830721003 -0.0756260677040224 -0.1902 -0.9014 3215334 Ald1-H_001179 ONC(=O)CCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N19 compound treatment -0.782 -0.26 -0.23 -0.681 -0.148 -0.14 0.505 0.973434169278997 0.961486314431224 0.3413 0.3418 3215336 Ald1-H_001180 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N20 compound treatment 0.892 1.41 1.25 -0.516 0.017 0.02 0.635 1.103434169279 1.08989070460035 1.3606 0.8202 3215338 Ald1-H_001181 CN(C)c1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N21 compound treatment -0.811 -0.289 -0.26 -0.648 -0.115 -0.11 -0.713 -0.244565830721003 -0.241564048845662 -0.35 -0.951 3215340 Ald1-H_001182 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCCCC(=O)OC)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N22 compound treatment -0.924 -0.402 -0.36 -0.899 -0.366 -0.35 -0.729 -0.260565830721003 -0.257367666097246 -0.5548 -0.9904 3215342 Ald1-H_001183 CCn1c2ccccc2c3cc(/C=N/NC(=O)CCCCC(=O)NO)ccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N23 compound treatment -0.225 0.297 0.26 -0.452 0.081 0.08 -0.256 0.212434169278997 0.209826768902726 0.3175 0.92 3215344 Ald1-H_001184 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 N24 compound treatment -0.455 0.0674 0.06 -0.814 -0.281 -0.27 -0.714 -0.245565830721003 -0.242551774923886 -0.2601 -0.7106 3215346 Ald1-H_001185 ONC(=O)CCCCC(=O)N/N=C/c1ccc(c(F)c1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O01 compound treatment -0.677 -0.155 -0.14 -0.619 -0.086 -0.08 -0.551 -0.082565830721003 -0.0815524241733666 -0.1732 -0.9681 3215348 Ald1-H_001186 OCCOc1ccccc1/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O02 compound treatment 0.986 1.51 1.33 -0.549 -0.016 -0.02 -0.453 0.015434169278997 0.0152447314925897 0.77 0.5773 3215350 Ald1-H_001187 COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O03 compound treatment -0.482 0.0404 0.04 -0.446 0.087 0.08 -0.155 0.313434169278997 0.309587102803355 0.2473 0.7667 3215352 Ald1-H_001188 OCCOc1cccc(/C=N/NC(=O)CCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O04 compound treatment -0.714 -0.192 -0.17 -0.628 -0.095 -0.09 -0.538 -0.069565830721003 -0.068711985156454 -0.1897 -0.9301 3215354 Ald1-H_001189 COC(=O)CCCCCCC(=O)N/N=C/c1cccc(OCCO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O05 compound treatment -0.552 -0.0296 -0.03 -0.189 0.344 0.33 -0.29 0.178434169278997 0.176244082243109 0.2759 0.7396 3215356 Ald1-H_001190 OCCOc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O06 compound treatment -0.273 0.249 0.22 -0.283 0.25 0.24 -0.089 0.379434169278997 0.374777023966142 0.4812 0.9706 3215358 Ald1-H_001191 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCCO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O07 compound treatment -0.422 0.1 0.09 -0.5 0.033 0.03 -0.649 -0.180565830721003 -0.178349579839323 -0.0335 -0.1662 3215360 Ald1-H_001192 COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)c(O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O08 compound treatment 0.275 0.797 0.71 -0.652 -0.119 -0.11 -0.157 0.311434169278997 0.307611650646907 0.5192 0.6678 3215362 Ald1-H_001193 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)cc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O09 compound treatment -0.349 0.173 0.15 -0.238 0.295 0.28 -0.11 0.358434169278997 0.354034776323437 0.4552 0.9536 3215364 Ald1-H_001194 COc1ccc(O)c(/C=N/NC(=O)CCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O10 compound treatment 0.586 1.11 0.98 -0.045 0.488 0.46 -0.12 0.348434169278997 0.344157515541196 1.0329 0.9077 3215366 Ald1-H_001195 COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O11 mock treatment 0.034 0.556 0.49 0.271 0.804 0.77 -0.397 0.071434169278997 0.0705573918731362 0.767 0.84 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O12 mock treatment -0.485 0.0374 0.03 0.151 0.684 0.65 0.111 0.579434169278997 0.572322239610951 0.7258 0.8362 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O13 compound treatment -0.335 0.187 0.17 -0.504 0.029 0.03 -0.139 0.329434169278997 0.32539072005494 0.2995 0.8179 3215368 Ald1-H_001196 COc1cc(/C=C/C=N/NC(=O)CCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O14 compound treatment -0.476 0.0464 0.04 -0.515 0.018 0.02 -0.047 0.421434169278997 0.416261519251552 0.274 0.6544 3215370 Ald1-H_001197 COC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccc(O)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O15 compound treatment -0.531 -0.00855 -0.01 -0.447 0.086 0.08 -0.662 -0.193565830721003 -0.191190018856236 -0.0674 -0.3239 3215372 Ald1-H_001198 Cc1ccc(O)c(/C=N/NC(=O)CCCCC(=O)NO)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O16 compound treatment -0.579 -0.0566 -0.05 -0.412 0.121 0.12 -0.516 -0.047565830721003 -0.0469820114355251 0.0106 0.0789 3215374 Ald1-H_001199 COC(=O)CCCCCCC(=O)N/N=C/c1cc(C)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O17 compound treatment -0.009 0.513 0.45 0.043 0.576 0.55 0.066 0.534434169278997 0.527874566090869 0.8837 0.9968 3215376 Ald1-H_001200 OCc1ccc(/C=N/NC(=O)CCCCC(=O)NO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O18 compound treatment 0.277 0.799 0.71 0.378 0.911 0.87 -0.151 0.317434169278997 0.313538007116251 1.0902 0.9379 3215378 Ald1-H_001201 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(CO)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O19 compound treatment 0.051 0.573 0.51 -0.208 0.325 0.31 -0.526 -0.057565830721003 -0.0568592722177655 0.4387 0.735 3215380 Ald1-H_001202 ONC(=O)CCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O20 compound treatment -0.239 0.283 0.25 -0.56 -0.027 -0.03 0.358 0.826434169278997 0.816290580932289 0.6011 0.7037 3215382 Ald1-H_001203 COC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O21 compound treatment -0.695 -0.173 -0.15 -0.532 0.00105 0.0 -0.547 -0.078565830721003 -0.0776015198604705 -0.1323 -0.773 3215384 Ald1-H_001204 ONC(=O)CCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O22 compound treatment -0.513 0.00945 0.01 -0.18 0.353 0.34 -0.329 0.139434169278997 0.137722765192371 0.2785 0.7661 3215386 Ald1-H_001205 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)c2cccc(Cl)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O23 compound treatment -0.327 0.195 0.17 -0.156 0.377 0.36 -0.267 0.201434169278997 0.198961782042262 0.422 0.9473 3215388 Ald1-H_001206 ONC(=O)CCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 O24 compound treatment -0.533 -0.0106 -0.01 -0.136 0.397 0.38 -0.409 0.059434169278997 0.0587046789344477 0.2469 0.6448 3215390 Ald1-H_001207 COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P01 compound treatment 0.183 0.705 0.62 0.381 0.914 0.87 0.213 0.681434169278997 0.673070299589803 1.2514 0.9893 3215392 Ald1-H_001208 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P02 compound treatment -0.485 0.0374 0.03 -0.344 0.189 0.18 -0.355 0.113434169278997 0.112041887158546 0.1878 0.8747 3215394 Ald1-H_001209 ONC(=O)CCCCC(=O)N/N=C/c1ccc(o1)S(=O)(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P03 compound treatment -0.667 -0.145 -0.13 -0.966 -0.433 -0.41 -0.306 0.162434169278997 0.160440464991524 -0.2193 -0.476 3215396 Ald1-H_001210 COC(=O)CCCCCCC(=O)N/N=C/c1cn(C)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P04 compound treatment -0.385 0.137 0.12 -0.693 -0.16 -0.15 -0.341 0.127434169278997 0.125870052253683 0.0549 0.2364 3215398 Ald1-H_001211 Cn1cc(/C=N/NC(=O)CCCCC(=O)NO)c2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P05 compound treatment -0.622 -0.0996 -0.09 -0.753 -0.22 -0.21 -0.41 0.058434169278997 0.0577169528562237 -0.1385 -0.5905 3215400 Ald1-H_001212 COC(=O)CCCCCCC(=O)N/N=C/c1cn(Cc2ccccc2)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P06 compound treatment 0.5 1.02 0.9 -0.393 0.14 0.13 -0.433 0.035434169278997 0.0349992530570706 0.6191 0.6771 3215402 Ald1-H_001213 ONC(=O)CCCCC(=O)N/N=C/c1cn(Cc2ccccc2)c3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P07 compound treatment -0.276 0.246 0.22 -0.284 0.249 0.24 -0.611 -0.142565830721003 -0.140815988866809 0.1815 0.5162 3215404 Ald1-H_001214 COC(=O)CCCCCCC(=O)N/N=C/C1=CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P08 compound treatment -0.373 0.149 0.13 -0.939 -0.406 -0.39 -1.0 -0.531565830721003 -0.525041433295962 -0.4501 -0.6765 3215406 Ald1-H_001215 ONC(=O)CCCCC(=O)N/N=C/C1=CCCCC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P09 compound treatment -0.718 -0.196 -0.17 -1.282 -0.749 -0.71 -1.256 -0.787565830721003 -0.777899309321318 -0.9609 -0.8983 3215408 Ald1-H_001216 COC(=O)CCCCCCC(=O)N/N=C/[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P10 compound treatment -0.169 0.353 0.31 -0.687 -0.154 -0.15 -0.475 -0.00656583072100297 -0.00648524222833922 0.092 0.2664 3215409 Ald1-H_001217 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P11 mock treatment -0.317 0.205 0.18 -0.354 0.179 0.17 -0.554 -0.085565830721003 -0.0845156024080388 0.1546 0.5874 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P12 mock treatment 0.509 1.03 0.91 -0.208 0.325 0.31 -0.133 0.335434169278997 0.331317076524284 0.8966 0.8803 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P13 compound treatment -0.679 -0.157 -0.14 -0.852 -0.319 -0.3 -0.571 -0.102565830721003 -0.101306945737847 -0.3138 -0.8994 3215410 Ald1-H_001218 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P14 compound treatment -0.462 0.0604 0.05 -0.418 0.115 0.11 -0.514 -0.045565830721003 -0.045006559279077 0.0681 0.5243 3215412 Ald1-H_001219 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P15 compound treatment -1.102 -0.58 -0.51 -1.042 -0.509 -0.48 -0.954 -0.485565830721003 -0.479606033697656 -0.8527 -0.9996 3215414 Ald1-H_001220 COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P16 compound treatment -0.521 0.00145 0.0 -0.18 0.353 0.34 -0.417 0.051434169278997 0.0508028703086553 0.2243 0.6593 3215416 Ald1-H_001221 OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/NC(=O)CCCCC(=O)NO)[C@H](O)[C@@H](O)[C@H]1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P17 compound treatment -0.635 -0.113 -0.1 -0.685 -0.152 -0.14 -0.354 0.114434169278997 0.11302961323677 -0.0758 -0.3627 3215418 Ald1-H_001222 COC(=O)CCCCCCC(=O)N/N=C(\C)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P18 compound treatment 1.069 1.59 1.36 -0.574 -0.041 -0.04 -0.5 -0.031565830721003 -0.0311783941839403 0.7458 0.5472 3215420 Ald1-H_001223 C/C(=N\NC(=O)CCCCC(=O)NO)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P19 compound treatment 0.466 0.988 0.87 1.355 1.89 1.54 1.17 1.638434169279 1.49659469888065 2.2567 0.9739 3215422 Ald1-H_001224 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCCCN(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P20 compound treatment -0.243 0.279 0.25 0.561 1.09 1.04 0.312 0.780434169278997 0.770855181333983 1.1894 0.9013 3215424 Ald1-H_001225 CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P21 compound treatment -0.427 0.0954 0.08 2.113 2.65 1.65 -0.115 0.353434169278997 0.349096145932317 1.2044 0.7122 3215426 Ald1-H_001226 CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)OC)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P22 compound treatment 0.068 0.59 0.52 -0.493 0.04 0.04 -0.22 0.248434169278997 0.245384907718792 0.4651 0.8045 3215428 Ald1-H_001227 CCOc1cc(/C=N/NC(=O)CCCCC(=O)NO)ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P23 compound treatment -0.976 -0.454 -0.4 -0.949 -0.416 -0.4 -0.029 0.439434169278997 0.434040588659584 -0.2097 -0.2947 3215430 Ald1-H_001228 COC(=O)CCCCCCC(=O)N/N=C/c1ccc(cc1)N(C)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2134 P24 compound treatment -0.423 0.0994 0.09 0.02 0.553 0.53 0.246 0.714434169278997 0.705665260171197 0.7624 0.8614 3215432 Ald1-H_001229 CN(CCO)c1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A01 compound treatment -1.508 -0.986 -0.87 -1.867 -1.33 -1.27 -2.237 -1.768565830721 -1.74685859205911 -2.2453 -0.9639 3561840 PK04_181001 CC(C)(C)N(CC=C)C(=O)C1N(Cc2ccccc2)C(=O)C3C(C4OC13C=C4)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A02 compound treatment -0.466 0.0564 0.05 -0.425 0.108 0.1 -0.26 0.208434169278997 0.20587586458983 0.2071 0.8793 3561841 PK04_181002 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A03 compound treatment 0.338 0.86 0.76 0.091 0.624 0.59 0.186 0.654434169278997 0.646401695477754 1.1556 0.9946 3561843 PK04_181003 OC1CCC(CC1)N2C(C(=O)N(CC=C)c3ccccc3)C4(OC5C=C4)C(C5C(=O)OCC=C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A04 compound treatment -0.295 0.227 0.2 -0.19 0.343 0.33 -0.353 0.115434169278997 0.114017339314994 0.3706 0.9258 2065615 PK04_181004 COc1ccc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A05 compound treatment -0.781 -0.259 -0.23 -0.844 -0.311 -0.3 -0.444 0.024434169278997 0.0241342661966061 -0.2891 -0.771 3561844 PK04_181005 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A06 compound treatment -0.106 0.416 0.37 -0.557 -0.024 -0.02 -0.413 0.055434169278997 0.0547537746215515 0.231 0.6194 3561845 PK04_181006 CCCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)c5ccccc5Cl)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A07 compound treatment -0.812 -0.29 -0.26 -0.531 0.00205 0.0 -0.184 0.284434169278997 0.280943046534858 0.0155 0.0409 3561847 PK04_181007 Cc1cccc2OC(CC(=O)c12)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A08 compound treatment -0.164 0.358 0.32 -0.118 0.415 0.4 -0.077 0.391434169278997 0.38662973690483 0.6345 0.9954 3561848 PK04_181008 CCCCCN1C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C1=O)c5ccccc5Cl)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A09 compound treatment 0.165 0.687 0.61 -0.103 0.43 0.41 0.0 0.468434169278997 0.462684644928082 0.8546 0.9859 3561850 PK04_181009 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A10 compound treatment -1.016 -0.494 -0.44 -0.85 -0.317 -0.3 -0.792 -0.323565830721003 -0.319594409025361 -0.6108 -0.986 3561851 PK04_181010 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A11 compound treatment -0.818 -0.296 -0.26 -0.29 0.243 0.23 -0.557 -0.088565830721003 -0.0874787806427109 -0.0677 -0.1881 3561853 PK04_181011 Brc1ccc(CN(C(C(=O)NCc2ccccc2)c3ccco3)C(=O)Cc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A12 compound treatment -0.396 0.126 0.11 -0.529 0.00405 0.0 -0.823 -0.354565830721003 -0.350213917450307 -0.1354 -0.3684 3561854 PK04_181012 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A13 mock treatment -0.58 -0.0576 -0.05 -0.493 0.04 0.04 -0.506 -0.037565830721003 -0.0371047506532846 -0.0288 -0.3908 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A14 mock treatment -0.013 0.509 0.45 -0.114 0.419 0.4 0.013 0.481434169278997 0.475525083944994 0.7651 0.9974 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A15 compound treatment -0.128 0.394 0.35 -0.028 0.505 0.48 -0.233 0.235434169278997 0.232544468701879 0.6134 0.9613 3561850 PK04_181013 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A16 compound treatment -0.07 0.452 0.4 -0.145 0.388 0.37 0.148 0.616434169278997 0.60886810450524 0.7959 0.9743 3561856 PK04_181014 C[C@H](C(OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@H](CN(CC=C)Cc4ccccc4)N(C(=O)[C@@H]13)C(C)(C)C)c5ccccc5)N(C)C(=O)CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A17 compound treatment -0.38 0.142 0.13 -0.562 -0.029 -0.03 -0.325 0.143434169278997 0.141673669505267 0.1386 0.7235 3561858 PK04_181015 COc1ccc(CNC(=O)OCC2c3ccccc3-c4ccccc24)cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A18 compound treatment -1.279 -0.757 -0.67 -1.128 -0.595 -0.57 -1.477 -1.008565830721 -0.996186772608831 -1.2886 -0.971 3561856 PK04_181016 C[C@H](C(OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@H](CN(CC=C)Cc4ccccc4)N(C(=O)[C@@H]13)C(C)(C)C)c5ccccc5)N(C)C(=O)CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A19 compound treatment -0.281 0.241 0.21 -0.349 0.184 0.18 -0.472 -0.00356583072100297 -0.00352206399366708 0.2224 0.8052 3561859 PK04_181017 CCOC(=O)C1C2OC3(C=C2)C(N(Cc4cc(OC)cc(OC)c4)C(=O)C13)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A20 compound treatment 0.508 1.03 0.91 0.676 1.21 1.15 0.075 0.543434169278997 0.536764100794885 1.5009 0.9599 3561860 PK04_181018 COc1ccc(CN2[C@H](C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)[C@@H]([C@H]5C(=O)O)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A21 compound treatment -0.278 0.244 0.22 -0.897 -0.364 -0.35 -1.278 -0.809565830721003 -0.799629283042247 -0.5371 -0.5981 3561861 PK04_181019 CCOC(=O)C1C2OC3(C=C2)C(N(Cc4ccccc4)C(=O)C13)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A22 compound treatment -1.258 -0.736 -0.65 -0.672 -0.139 -0.13 -1.286 -0.817565830721003 -0.807531091668039 -0.9181 -0.8784 3561862 PK04_181020 COc1cc(CN2[C@H](C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)[C@@H]([C@H]5C(=O)O)C2=O)ccc1O[SiH](C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A23 compound treatment -0.797 -0.275 -0.24 -0.612 -0.079 -0.08 -0.721 -0.252565830721003 -0.249465857471454 -0.3276 -0.9199 3561864 PK04_181021 O=C(Cc1ccccc1)OC(C(=O)NCc2ccccc2)c3ccco3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 A24 compound treatment -0.931 -0.409 -0.36 -0.746 -0.213 -0.2 -0.613 -0.144565830721003 -0.142791441023257 -0.4081 -0.9313 3561865 PK04_181022 COc1cc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)ccc1O[SiH](C(C)C)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B01 compound treatment -1.315 -0.793 -0.7 -1.15 -0.617 -0.59 -0.986 -0.517565830721003 -0.511213268200826 -1.039 -0.9917 3561867 PK04_181023 OC(CC=C)c1cccc(c1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B02 compound treatment -0.691 -0.169 -0.15 -0.5 0.033 0.03 -0.15 0.318434169278997 0.314525733194475 0.1137 0.3254 1008566 PK04_181024 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B03 compound treatment -0.108 0.414 0.37 -0.025 0.508 0.48 -0.25 0.218434169278997 0.215753125372071 0.6155 0.9554 3561868 PK04_181025 CC(C)(C)OC(=O)OC(CC=C)c1ccc(cc1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B04 compound treatment -0.431 0.0914 0.08 -0.451 0.082 0.08 -0.507 -0.038565830721003 -0.0380924767315087 0.0698 0.588 3561869 PK04_181026 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)[Se]c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B05 compound treatment -1.152 -0.63 -0.56 -0.805 -0.272 -0.26 -0.982 -0.513565830721003 -0.50726236388793 -0.7638 -0.9591 3561870 PK04_181027 OC(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B06 compound treatment -1.094 -0.572 -0.51 -0.676 -0.143 -0.14 -0.314 0.154434169278997 0.152538656365732 -0.2823 -0.5179 3561871 PK04_181028 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B07 compound treatment -1.236 -0.714 -0.63 -0.612 -0.079 -0.08 -0.123 0.345434169278997 0.341194337306524 -0.2107 -0.2921 3561872 PK04_181029 OC(CSc1nc(c(o1)c2ccccc2)c3ccccc3)CC(O)c4ccc(cc4)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B08 compound treatment -0.653 -0.131 -0.12 -0.526 0.00705 0.01 -0.62 -0.151565830721003 -0.149705523570826 -0.1492 -0.7888 3561873 PK04_181030 CC(C)CC1CC(=O)C=C(Cl)N1C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B09 compound treatment -0.993 -0.471 -0.42 -0.748 -0.215 -0.2 -0.785 -0.316565830721003 -0.312680326477793 -0.5389 -0.9637 3561874 PK04_181031 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B10 compound treatment -0.408 0.114 0.1 -0.536 -0.00295 0.0 -0.523 -0.054565830721003 -0.0538960939830934 0.0257 0.2239 3561875 PK04_181032 COC(=O)C1=C(Cl)N(C(CC(C)C)CC1=O)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B11 compound treatment 0.211 0.733 0.65 0.242 0.775 0.74 0.08 0.548434169278997 0.541702731186005 1.1134 0.9923 3561876 PK04_181033 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2CC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)OC(O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B12 compound treatment 0.0 0.522 0.46 -0.339 0.194 0.18 -0.281 0.187434169278997 0.185133616947125 0.4803 0.9048 3561877 PK04_181034 COC(=O)C1=C(OC)N(C(CC(C)C)CC1=O)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B13 mock treatment -0.385 0.137 0.12 -0.378 0.155 0.15 -0.373 0.095434169278997 0.0942628177505133 0.2099 0.9842 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B14 mock treatment 0.7 1.22 1.08 -0.698 -0.165 -0.16 -0.256 0.212434169278997 0.209826768902726 0.6544 0.5884 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B15 compound treatment -2.202 -1.68 -1.48 -1.442 -0.909 -0.87 -2.091 -1.622565830721 -1.60265058463839 -2.2825 -0.9712 3561878 PK04_181035 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2CC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)OC(O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B16 compound treatment -0.451 0.0714 0.06 -0.175 0.358 0.34 -0.247 0.221434169278997 0.218716303606743 0.3597 0.8771 3561879 PK04_181036 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B17 compound treatment -0.937 -0.415 -0.37 -0.63 -0.097 -0.09 -0.75 -0.281565830721003 -0.278109913739951 -0.4255 -0.9067 3561880 PK04_181037 OC(CC1CO1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B18 compound treatment 0.24 0.762 0.67 0.147 0.68 0.65 0.222 0.690434169278997 0.68195983429382 1.1569 0.9998 3561881 PK04_181038 CC(C)(C)OC(=O)NCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B19 compound treatment -0.464 0.0584 0.05 -0.171 0.362 0.34 -0.153 0.315434169278997 0.311562554959803 0.4088 0.8742 3561882 PK04_181039 CN(CC(O)CC(O)c1ccccc1)Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B20 compound treatment -1.473 -0.951 -0.84 -1.175 -0.642 -0.61 -0.849 -0.380565830721003 -0.375894795484132 -1.0553 -0.9548 3561883 PK04_181040 COc1ccc(CN(C(=C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B21 compound treatment -0.806 -0.284 -0.25 -0.983 -0.45 -0.43 -0.737 -0.268565830721003 -0.265269474723039 -0.5454 -0.9687 3561884 PK04_181041 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccc(cc6)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B22 compound treatment 0.056 0.578 0.51 1.531 2.06 1.57 -0.164 0.304434169278997 0.300697568099339 1.3752 0.8195 3561885 PK04_181042 COc1ccc(CNS(=O)(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B23 compound treatment 0.081 0.603 0.53 -0.23 0.303 0.29 -0.049 0.419434169278997 0.414286067095104 0.7139 0.9718 3561886 PK04_181043 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3ccncc3)CC(O2)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 B24 compound treatment -1.037 -0.515 -0.45 -1.082 -0.549 -0.52 -0.921 -0.452565830721003 -0.447011073116263 -0.8227 -0.9974 3561887 PK04_181044 Brc1ccc(cc1)S(=O)(=O)N2C[C@H]2C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C01 compound treatment -0.565 -0.0426 -0.04 -0.408 0.125 0.12 -0.547 -0.078565830721003 -0.0776015198604705 0.0023 0.0153 3561889 PK04_181045 O=C(Cc1ccccc1)N2CC(=O)Oc3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C02 compound treatment -0.183 0.339 0.3 -0.657 -0.124 -0.12 -0.679 -0.210565830721003 -0.207981362186044 -0.015 -0.0391 3561890 PK04_181046 CCCCCNC(=O)[C@H]1N(C(=O)[C@@H]2[C@H](C3OC12C=C3)C(=O)OCC)c4ccccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C03 compound treatment 1.142 1.66 1.38 -0.274 0.259 0.25 -0.261 0.207434169278997 0.204888138511606 1.0563 0.7466 3561892 PK04_181047 CCOC(=O)C1C2OC3(C=C2)C(N(CCCCCCO)C(=O)C13)C(=O)N(CC=C)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C04 compound treatment -0.655 -0.133 -0.12 -0.382 0.151 0.14 -0.483 -0.014565830721003 -0.0143870508541316 0.0071 0.0382 2065568 PK04_181048 CCCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C05 compound treatment -0.035 0.487 0.43 0.319 0.852 0.81 0.552 1.020434169279 1.00790944010775 1.2994 0.9526 3561893 PK04_181049 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)OCC=C)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C06 compound treatment -0.323 0.199 0.18 -0.31 0.223 0.21 -0.39 0.078434169278997 0.0774714744207045 0.2692 0.9387 2065566 PK04_181050 CCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C07 compound treatment 0.246 0.768 0.68 0.427 0.96 0.91 0.859 1.327434169279 1.31114134612254 1.6773 0.9656 3561894 PK04_181051 CCOC(=O)C1C2OC3(C=C2)C(N(C4CCC(O)CC4)C(=O)C13)C(=O)N(CC=C)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C08 compound treatment 0.185 0.707 0.63 -0.777 -0.244 -0.23 -0.553 -0.084565830721003 -0.0835278763298147 0.1787 0.2658 2065605 PK04_181052 CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C09 compound treatment 0.569 1.09 0.96 -0.234 0.299 0.28 -1.052 -0.583565830721003 -0.576403189363613 0.3888 0.3353 3561895 PK04_181053 O=C(Cc1ccccc1)OC(COCc2ccccc2)C(=O)NCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C10 compound treatment -0.222 0.3 0.27 0.096 0.629 0.6 -0.161 0.307434169278997 0.303660746334011 0.6747 0.9339 2065603 PK04_181054 COc1ccc(NC(=O)C(OC(=O)c2ccccc2)c3cccs3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C11 mock treatment -0.099 0.423 0.37 -0.231 0.302 0.29 -0.095 0.373434169278997 0.368850667496798 0.5952 0.9934 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C12 mock treatment 0.069 0.591 0.52 -0.073 0.46 0.44 -0.151 0.317434169278997 0.313538007116251 0.7359 0.9801 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C13 compound treatment 0.208 0.73 0.65 0.02 0.553 0.53 1.144 1.612434169279 1.48994132457495 1.5372 0.9004 3561896 PK04_181055 CCOC(=O)C1C2OC3(C=C2)C(N(C4CCC(O)CC4)C(=O)C13)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C14 compound treatment -0.373 0.149 0.13 -0.152 0.381 0.36 0.038 0.506434169278997 0.500218235900595 0.5747 0.9093 2065601 PK04_181056 O=C(NCc1ccccc1)C(OC(=O)c2ccccc2)c3cccs3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C15 mock treatment -0.527 -0.00455 0.0 -0.158 0.375 0.36 -0.353 0.115434169278997 0.114017339314994 0.2698 0.7193 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C16 mock treatment -0.222 0.3 0.27 -0.08 0.453 0.43 -0.262 0.206434169278997 0.203900412433382 0.5203 0.9524 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C17 compound treatment 0.968 1.49 1.32 0.449 0.982 0.94 0.296 0.764434169278997 0.755051564082399 1.7368 0.9737 3561897 PK04_181057 OC1CCC(CC1)N2C(C(=O)NCc3ccccc3)C4(OC5C=C4)C(C5C(=O)OCC=C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C18 compound treatment -0.188 0.334 0.3 0.064 0.597 0.57 0.166 0.634434169278997 0.626647173913273 0.8609 0.9603 3057099 PK04_181058 O=C(NCc1ccccc1)C(OC(=O)c2ccccc2)c3ccco3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C19 compound treatment 0.11 0.632 0.56 0.113 0.646 0.62 -0.451 0.017434169278997 0.0172201836490378 0.6881 0.8273 3561892 PK04_181059 CCOC(=O)C1C2OC3(C=C2)C(N(CCCCCCO)C(=O)C13)C(=O)N(CC=C)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C20 compound treatment -0.253 0.269 0.24 0.076 0.609 0.58 1.077 1.545434169279 1.47213708350147 1.3225 0.8264 3057100 PK04_181060 COc1ccc(NC(=O)C(OC(=O)c2ccccc2)c3ccco3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C21 compound treatment 0.041 0.563 0.5 -0.507 0.026 0.02 -0.558 -0.089565830721003 -0.088466506720935 0.2509 0.4952 3561898 PK04_181061 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=C[C@]42O[C@@H]5/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]4C1=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C22 compound treatment -0.349 0.173 0.15 -0.325 0.208 0.2 -0.381 0.087434169278997 0.0863610091247209 0.2528 0.9538 3176076 PK04_181062 CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C23 compound treatment -0.884 -0.362 -0.32 -0.409 0.124 0.12 -0.486 -0.017565830721003 -0.0173502290888037 -0.1263 -0.3702 3561899 PK04_181063 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 C24 compound treatment -0.566 -0.0436 -0.04 0.043 0.576 0.55 -0.231 0.237434169278997 0.234519920858328 0.43 0.719 2065566 PK04_181064 CCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D01 compound treatment 0.115 0.637 0.56 -0.236 0.297 0.28 -0.267 0.201434169278997 0.198961782042262 0.6036 0.9128 3561900 PK04_181065 COCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D02 compound treatment -0.089 0.433 0.38 -0.275 0.258 0.25 -0.041 0.427434169278997 0.422187875720896 0.6069 0.9775 3561901 PK04_181066 COc1cc(OC)c(CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D03 compound treatment -1.045 -0.523 -0.46 -0.221 0.312 0.3 -0.955 -0.486565830721003 -0.48059375977588 -0.3726 -0.5104 3561902 PK04_181067 OCCSCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D04 compound treatment -0.737 -0.215 -0.19 -0.505 0.028 0.03 -0.378 0.090434169278997 0.089324187359393 -0.0425 -0.2012 3561903 PK04_181068 COc1ccc(CN(C(COC(=O)c2cccc(OC)c2O)C=C)S(=O)(=O)c3ccc(Br)cc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D05 compound treatment -0.915 -0.393 -0.35 -1.022 -0.489 -0.47 -0.581 -0.112565830721003 -0.111184206520088 -0.5335 -0.9021 3215593 PK04_181069 OCCSCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D06 compound treatment -0.6 -0.0776 -0.07 -0.486 0.047 0.04 -0.286 0.182434169278997 0.180194986556005 0.0903 0.4563 3561904 PK04_181070 COC(=O)C1CC=C(CC1C(=O)OC)N(Cc2ccc(OC)cc2)S(=O)(=O)c3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D07 compound treatment -1.01 -0.488 -0.43 -0.708 -0.175 -0.17 -0.714 -0.245565830721003 -0.242551774923886 -0.4851 -0.9295 3561905 PK04_181071 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CN(C)Cc3ccccc3)CC(O2)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D08 compound treatment -0.924 -0.402 -0.36 -0.812 -0.279 -0.27 0.055 0.523434169278997 0.517009579230404 -0.0599 -0.0879 3561906 PK04_181072 COc1ccc(CN([C@H](COC(=O)c2ccc(cc2)[N+](=O)[O-])C=C)S(=O)(=O)c3ccc(Br)cc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D09 compound treatment -1.011 -0.489 -0.43 -1.185 -0.652 -0.62 -0.612 -0.143565830721003 -0.141803714945033 -0.6898 -0.8962 3561908 PK04_181073 OC(CSc1nc2ccccc2o1)CC(O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D10 compound treatment -0.733 -0.211 -0.19 -0.409 0.124 0.12 -0.605 -0.136565830721003 -0.134889632397465 -0.1171 -0.4531 3561909 PK04_181074 Brc1ccc(cc1)N2C(CN(C2=O)S(=O)(=O)c3ccc(Br)cc3)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D11 mock treatment -0.624 -0.102 -0.09 -0.054 0.479 0.46 -0.237 0.231434169278997 0.228593564388983 0.3436 0.663 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D12 mock treatment 0.725 1.25 1.1 -0.109 0.424 0.4 -0.017 0.451434169278997 0.445893301598273 1.1274 0.8974 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D13 compound treatment -0.169 0.353 0.31 0.185 0.718 0.68 0.0 0.468434169278997 0.462684644928082 0.8425 0.9541 3561910 PK04_181075 COC(=O)CCCCCCC(=O)NOCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D14 compound treatment -0.636 -0.114 -0.1 -0.806 -0.273 -0.26 -0.532 -0.063565830721003 -0.0627856286871098 -0.2443 -0.8552 3561911 PK04_181076 COc1ccc(CN([C@H](CI)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D15 mock treatment -0.383 0.139 0.12 -0.336 0.197 0.19 -0.349 0.119434169278997 0.11796824362789 0.2477 0.9763 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D16 mock treatment 0.167 0.689 0.61 -0.076 0.457 0.44 -0.346 0.122434169278997 0.120931421862562 0.6731 0.8871 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D17 compound treatment -0.134 0.388 0.34 0.489 1.02 0.97 0.4 0.868434169278997 0.857775076217699 1.2557 0.9355 3561913 PK04_181077 OC(=O)CCCCCCC(=O)NOCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D18 compound treatment -0.398 0.124 0.11 -0.5 0.033 0.03 -0.18 0.288434169278997 0.284893950847754 0.2462 0.8018 3561914 PK04_181078 COc1ccc(CN(C2=CCC3C(C2)C(=O)N(C)C3=O)S(=O)(=O)c4ccc(Br)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D19 compound treatment -0.247 0.275 0.24 -0.409 0.124 0.12 -0.617 -0.148565830721003 -0.146742345336153 0.1241 0.4031 3561915 PK04_181079 OCc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D20 compound treatment -0.356 0.166 0.15 -0.888 -0.355 -0.34 -0.868 -0.399565830721003 -0.394661590970389 -0.3381 -0.626 3561916 PK04_181080 COCCCN(CC(O)CO)C[C@]1(O)CCC2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@@]54C=C[C@]23C(=C5)C(=O)c6ccc(OC)cc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D21 compound treatment 0.402 0.924 0.82 -0.014 0.519 0.49 -0.248 0.220434169278997 0.217728577528519 0.8831 0.9013 3561917 PK04_181081 O=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D22 compound treatment -0.707 -0.185 -0.16 -0.383 0.15 0.14 -0.118 0.350434169278997 0.346132967697645 0.1882 0.4606 3561918 PK04_181082 COCCCN(CC(O)CO)C[C@]1(O)CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D23 compound treatment -0.475 0.0474 0.04 -0.171 0.362 0.34 0.462 0.930434169278997 0.91901409306759 0.7539 0.7674 3561919 PK04_181083 OC(CN=[N+]=[N-])CC(O)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 D24 compound treatment -0.423 0.0994 0.09 -0.262 0.271 0.26 -0.75 -0.281565830721003 -0.278109913739951 0.0393 0.1008 3561920 PK04_181084 COCCCN(C[C@]1(O)CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(=O)O[C@H]5C[C@@H](C)CC[C@@H]5C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E01 mock treatment -0.405 0.117 0.1 -0.3 0.233 0.22 -0.306 0.162434169278997 0.160440464991524 0.2808 0.9584 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E02 mock treatment -0.25 0.272 0.24 -0.198 0.335 0.32 -0.253 0.215434169278997 0.212789947137399 0.4462 0.9851 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E03 compound treatment -0.667 -0.145 -0.13 -0.522 0.011 0.01 -0.246 0.222434169278997 0.219704029684967 0.0591 0.2325 3561899 PK04_181085 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E04 compound treatment 0.029 0.551 0.49 -0.119 0.414 0.39 -0.103 0.365434169278997 0.360948858871005 0.7176 0.9917 2065568 PK04_181086 CCCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E05 compound treatment -0.785 -0.263 -0.23 -0.692 -0.159 -0.15 -0.385 0.083434169278997 0.0824101048118247 -0.1739 -0.6013 3561899 PK04_181087 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E06 compound treatment -0.311 0.211 0.19 -0.574 -0.041 -0.04 -0.667 -0.198565830721003 -0.196128649247356 -0.0278 -0.1017 2065570 PK04_181088 O=C(NCc1ccccc1)C(COCc2ccccc2)OC(=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E07 compound treatment -0.097 0.425 0.38 0.356 0.889 0.85 -0.243 0.225434169278997 0.222667207919639 0.8347 0.8758 3561899 PK04_181089 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E08 compound treatment 0.062 0.584 0.52 -0.079 0.454 0.43 -0.19 0.278434169278997 0.275016690065513 0.7068 0.9712 2065572 PK04_181090 COc1ccc(NC(=O)C(COCc2ccccc2)OC(=O)c3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E09 mock treatment -0.38 0.142 0.13 -0.286 0.247 0.24 -0.14 0.328434169278997 0.324402993976716 0.3959 0.9423 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E10 mock treatment 0.731 1.25 1.11 1.444 1.98 1.55 0.962 1.430434169279 1.41287713217961 2.3531 0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E11 compound treatment 0.0 0.522 0.46 0.09 0.623 0.59 -0.22 0.248434169278997 0.245384907718792 0.751 0.9493 3561921 PK04_181091 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E12 compound treatment -0.806 -0.284 -0.25 -0.639 -0.106 -0.1 -0.615 -0.146565830721003 -0.144766893179705 -0.2866 -0.9348 2065574 PK04_181092 CC(C)(C)NC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E13 compound treatment -0.216 0.306 0.27 -0.67 -0.137 -0.13 -0.7 -0.231565830721003 -0.228723609828749 -0.051 -0.1349 3561922 PK04_181093 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(Cc4ccc(OC)cc4)C(=O)[C@@H]13)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E14 compound treatment -0.545 -0.0226 -0.02 -0.448 0.085 0.08 -0.228 0.240434169278997 0.237483099093 0.1724 0.6848 2065576 PK04_181094 CCCCNC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E15 compound treatment -0.589 -0.0666 -0.06 -0.717 -0.184 -0.18 -0.346 0.122434169278997 0.120931421862562 -0.0653 -0.2957 3561841 PK04_181095 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E16 compound treatment -0.873 -0.351 -0.31 -0.661 -0.128 -0.12 -0.447 0.021434169278997 0.021171087961934 -0.2371 -0.7105 2065599 PK04_181096 CCCCCNC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E17 mock treatment -0.785 -0.263 -0.23 0.481 1.01 0.97 -0.4 0.068434169278997 0.067594213638464 0.4627 0.4647 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E18 mock treatment 0.095 0.617 0.55 -0.259 0.274 0.26 -0.4 0.068434169278997 0.067594213638464 0.5049 0.8293 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E19 compound treatment -0.925 -0.403 -0.36 -1.099 -0.566 -0.54 -1.094 -0.625565830721003 -0.617887684649023 -0.8735 -0.9771 3561841 PK04_181097 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E20 compound treatment -0.63 -0.108 -0.1 -0.671 -0.138 -0.13 -0.346 0.122434169278997 0.120931421862562 -0.061 -0.3013 3561923 PK04_181098 CCCNC(=O)COc1ccc(C=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E21 compound treatment -0.704 -0.182 -0.16 -0.245 0.288 0.27 -1.197 -0.728565830721003 -0.719623470706099 -0.3497 -0.4445 3561841 PK04_181099 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E22 compound treatment -0.717 -0.195 -0.17 -0.948 -0.415 -0.4 -0.341 0.127434169278997 0.125870052253683 -0.2549 -0.5675 3561924 PK04_181100 CCCNC(=O)Cc1ccc(N)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E23 compound treatment -0.187 0.335 0.3 -0.652 -0.119 -0.11 -0.85 -0.381565830721003 -0.376882521562356 -0.1118 -0.2269 3561841 PK04_181101 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 E24 compound treatment -0.155 0.367 0.32 -0.088 0.445 0.42 -0.255 0.213434169278997 0.21081449498095 0.5541 0.9649 3561925 PK04_181102 CCOC(=O)/C=C/c1ccccc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F01 mock treatment -0.213 0.309 0.27 0.175 0.708 0.67 -0.38 0.088434169278997 0.0873487352029449 0.5978 0.8154 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F02 mock treatment -0.799 -0.277 -0.24 -0.541 -0.00795 -0.01 -0.291 0.177434169278997 0.175256356164885 -0.0444 -0.1474 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F03 compound treatment -1.373 -0.851 -0.75 -1.228 -0.695 -0.66 -1.225 -0.756565830721003 -0.747279800896372 -1.2478 -0.9984 3561927 PK04_181103 OC(CSc1nc(c(o1)c2ccccc2)c3ccccc3)CC(O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F04 compound treatment 0.149 0.671 0.59 -0.049 0.484 0.46 -0.444 0.024434169278997 0.0241342661966061 0.6229 0.8282 1366116 PK04_181104 Brc1ccc2ncnc(NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F05 compound treatment 0.494 1.02 0.9 0.366 0.899 0.86 0.057 0.525434169278997 0.518985031386852 1.313 0.9758 3561928 PK04_181105 CN(CC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F06 compound treatment -0.275 0.247 0.22 -0.338 0.195 0.19 -0.204 0.264434169278997 0.261188524970377 0.3844 0.9905 1945167 PK04_181106 C/C(=C/C(=O)c1ccc(Cl)cc1)/Nc2cccc(O)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F07 compound treatment -0.579 -0.0566 -0.05 -0.545 -0.012 -0.01 -0.133 0.335434169278997 0.331317076524284 0.1558 0.4648 3561929 PK04_181107 OC(CSc1nc2ccccc2s1)CC(O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F08 compound treatment -1.086 -0.564 -0.5 -0.907 -0.374 -0.36 -0.458 0.010434169278997 0.0103061011014695 -0.4874 -0.7956 1448632 PK04_181108 Nn1cnc2-c3ccccc3CC4(CCCC4)c2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F09 mock treatment -0.527 -0.00455 0.0 -0.23 0.303 0.29 -0.318 0.150434169278997 0.148587752052836 0.2501 0.7703 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F10 mock treatment 0.187 0.709 0.63 0.152 0.685 0.65 0.208 0.676434169278997 0.668131669198683 1.1247 0.9997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F11 compound treatment -0.121 0.401 0.35 0.017 0.55 0.52 -0.386 0.082434169278997 0.0814223787336007 0.5545 0.8689 3561930 PK04_181109 OC(CSc1ccccn1)CC(O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F12 compound treatment 0.466 0.988 0.87 -0.167 0.366 0.35 -0.185 0.283434169278997 0.279955320456634 0.8675 0.8837 3561931 PK04_181110 [O-][N+](=O)c1ccccc1/C=C/c2ccncc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F13 compound treatment -1.482 -0.96 -0.85 -1.37 -0.837 -0.8 -1.488 -1.019565830721 -1.0070517594693 -1.5315 -0.9949 3561933 PK04_181111 ONC(=O)CCCCCCC(=O)NOCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F14 compound treatment 1.103 1.63 1.37 0.83 1.36 1.3 0.902 1.370434169279 1.35361356748617 2.3219 0.9997 1679359 PK04_181112 OC(=O)CCCN1C(=O)CSC1=S 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F15 compound treatment -0.384 0.138 0.12 -0.647 -0.114 -0.11 -0.467 0.00143416927899698 0.00141656639745309 0.0088 0.0538 1020755 PK04_181113 O=C(C[n+]1ccc2ccccc2c1)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F16 compound treatment -0.237 0.285 0.25 0.0 0.533 0.51 0.079 0.547434169278997 0.540715005107781 0.7511 0.9586 3561934 PK04_181114 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F17 mock treatment -0.033 0.489 0.43 -0.095 0.438 0.42 -0.133 0.335434169278997 0.331317076524284 0.682 0.9936 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F18 mock treatment 0.354 0.876 0.77 -0.507 0.026 0.02 -0.205 0.263434169278997 0.260200798892153 0.6119 0.7483 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F19 compound treatment -0.205 0.317 0.28 -0.234 0.299 0.28 -0.476 -0.00756583072100298 -0.00747296830656326 0.3222 0.8055 3561936 PK04_181115 Brc1c2OCOc2ccc1C[n+]3ccc4ccccc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F20 compound treatment -0.319 0.203 0.18 0.435 0.968 0.92 0.0 0.468434169278997 0.462684644928082 0.9034 0.8626 3561937 PK04_181116 COc1ccc(cc1)S(=O)(=O)Nc2ccccc2/C=C/c3ccncc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F21 compound treatment -0.371 0.151 0.13 -0.225 0.308 0.29 -0.264 0.204434169278997 0.201924960276934 0.3633 0.9547 3561939 PK04_181117 CC(C)(C)[Si](C)(C)Oc1ccc2cc[n+](Cc3ccccc3Br)cc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F22 compound treatment -0.515 0.00745 0.01 -0.192 0.341 0.32 -0.364 0.104434169278997 0.10315235245453 0.2509 0.736 1936946 PK04_181118 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F23 compound treatment -0.323 0.199 0.18 -0.288 0.245 0.23 -0.27 0.198434169278997 0.19599860380759 0.3497 0.9932 3561940 PK04_181119 COc1ccc(Br)c(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 F24 compound treatment 1.107 1.63 1.37 0.395 0.928 0.88 0.917 1.385434169279 1.36842945865953 2.0917 0.9825 3561941 PK04_181120 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G01 compound treatment -0.797 -0.275 -0.24 -1.231 -0.698 -0.66 -1.051 -0.582565830721003 -0.575415463285389 -0.8562 -0.9386 3561841 PK04_181121 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G02 compound treatment 0.593 1.12 0.99 -0.418 0.115 0.11 -0.519 -0.050565830721003 -0.0499451896701972 0.6038 0.6078 3561943 PK04_181122 O=C1CSC(N1c2ccc(cc2)c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G03 mock treatment -0.354 0.168 0.15 -0.316 0.217 0.21 -0.212 0.256434169278997 0.253286716344584 0.3516 0.9786 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G04 mock treatment -0.062 0.46 0.41 -0.011 0.522 0.5 -0.106 0.362434169278997 0.357985680636333 0.7288 0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G05 compound treatment -0.461 0.0614 0.05 -0.33 0.203 0.19 -0.566 -0.0975658307210029 -0.0963683153467272 0.0874 0.3922 PK04_181123 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G06 compound treatment 0.114 0.636 0.56 -0.053 0.48 0.46 -0.409 0.059434169278997 0.0587046789344477 0.6228 0.8561 3561944 PK04_181124 CC(C)(C)c1ccc(cc1)N2C(SCC2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G07 compound treatment -0.153 0.369 0.33 -0.227 0.306 0.29 -0.51 -0.041565830721003 -0.0410556549661808 0.3332 0.7577 PK04_181125 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G08 compound treatment 0.698 1.22 1.08 0.058 0.591 0.56 -0.421 0.047434169278997 0.0468519659957592 0.9751 0.8006 3561945 PK04_181126 CCOC(=O)/C=C(\C)/c1ccccc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G09 compound treatment -0.514 0.00845 0.01 -0.689 -0.156 -0.15 -0.42 0.048434169278997 0.0478396920739832 -0.0538 -0.3446 3561841 PK04_181127 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G10 compound treatment 0.135 0.657 0.58 -0.24 0.293 0.28 -0.225 0.243434169278997 0.240446277327672 0.6356 0.9236 3561947 PK04_181128 CCOC(=O)/C=C/c1c(OC)cccc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G11 compound treatment 0.149 0.671 0.59 -0.044 0.489 0.47 -0.231 0.237434169278997 0.234519920858328 0.7471 0.9455 3561899 PK04_181129 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G12 compound treatment 0.054 0.576 0.51 -0.256 0.277 0.26 -0.475 -0.00656583072100297 -0.00648524222833922 0.4429 0.7716 3561949 PK04_181130 CCCNC(=O)Cc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G13 compound treatment -0.534 -0.0116 -0.01 -0.491 0.042 0.04 -0.511 -0.042565830721003 -0.0420433810444048 -0.007 -0.1195 3561950 PK04_181131 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)c6cccc(Cl)c6CO)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G14 compound treatment -0.421 0.101 0.09 -0.251 0.282 0.27 0.0 0.468434169278997 0.462684644928082 0.474 0.8738 3561952 PK04_181132 COc1cc(/C=C/CO)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G15 compound treatment 0.293 0.815 0.72 -0.171 0.362 0.34 -0.095 0.373434169278997 0.368850667496798 0.8283 0.9411 3561841 PK04_181133 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G16 compound treatment -0.28 0.242 0.21 -0.25 0.283 0.27 0.091 0.559434169278997 0.55256771804647 0.5985 0.9191 3561954 PK04_181134 COc1ccccc1/C=C/CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G17 compound treatment 0.118 0.64 0.57 -0.084 0.449 0.43 -0.071 0.397434169278997 0.392556093374175 0.8005 0.9871 3561956 PK04_181135 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4cccc(Cl)c4CO)C(=O)N(CC=C)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G18 compound treatment -0.58 -0.0576 -0.05 -0.781 -0.248 -0.24 -0.224 0.244434169278997 0.241434003405896 -0.0264 -0.0772 3561958 PK04_181136 O=C1CS(=O)(=O)C(N1c2ccc(cc2)c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G19 mock treatment -0.614 -0.0916 -0.08 0.041 0.574 0.55 0.141 0.609434169278997 0.601954021957672 0.6165 0.7544 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G20 mock treatment -0.06 0.462 0.41 -0.259 0.274 0.26 0.0 0.468434169278997 0.462684644928082 0.6539 0.9754 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G21 compound treatment -0.718 -0.196 -0.17 -0.691 -0.158 -0.15 -0.39 0.078434169278997 0.0774714744207045 -0.142 -0.5868 3561959 PK04_181137 CC(CO)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O[C@@H]([C@@H](C)N(C)C(=O)CCC=C)c5ccccc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G22 compound treatment -0.612 -0.0896 -0.08 -0.704 -0.171 -0.16 -0.425 0.043434169278997 0.042901061682863 -0.115 -0.6178 3561961 PK04_181138 CC(C)(C)c1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G23 compound treatment -0.213 0.309 0.27 -0.197 0.336 0.32 0.205 0.673434169278997 0.665168490964011 0.7268 0.9232 3561959 PK04_181139 CC(CO)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O[C@@H]([C@@H](C)N(C)C(=O)CCC=C)c5ccccc5)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 G24 compound treatment 0.063 0.585 0.52 0.095 0.628 0.6 0.056 0.524434169278997 0.517997305308628 0.9433 0.9976 2093329 PK04_181140 COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H01 compound treatment -0.403 0.119 0.11 -0.319 0.214 0.2 -0.333 0.135434169278997 0.133771860879475 0.2559 0.963 3561962 PK04_181141 Brc1ccccc1C(=O)[n+]2ccc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H02 compound treatment -0.338 0.184 0.16 -0.521 0.012 0.01 -0.152 0.316434169278997 0.312550281038027 0.2812 0.7973 3561963 PK04_181142 COc1ccccc1/C=C/2\SC(=S)N(CCCC(=O)O)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H03 mock treatment -0.551 -0.0286 -0.03 -0.316 0.217 0.21 -0.125 0.343434169278997 0.339218885150076 0.3007 0.7553 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H04 mock treatment 0.107 0.629 0.56 0.0 0.533 0.51 -0.164 0.304434169278997 0.300697568099339 0.7881 0.9716 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H05 compound treatment -0.423 0.0994 0.09 -0.009 0.524 0.5 -0.038 0.430434169278997 0.425151053955568 0.5845 0.8834 3561965 PK04_181143 COc1cc2CC[N+](=Cc2cc1O[Si](C)(C)C(C)(C)C)Cc3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H06 compound treatment -0.389 0.133 0.12 -0.508 0.025 0.02 -0.091 0.377434169278997 0.372801571809694 0.2971 0.7585 3561966 PK04_181144 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H07 compound treatment -0.208 0.314 0.28 -0.563 -0.03 -0.03 -0.215 0.253434169278997 0.250323538109912 0.2886 0.7691 3561968 PK04_181145 COc1cc2CC[N+](=Cc2cc1OC)C(=O)c3ccccc3Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H08 compound treatment -0.524 -0.00155 0.0 0.202 0.735 0.7 0.519 0.987434169278997 0.975314479526361 0.9666 0.8051 3561969 PK04_181146 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H09 compound treatment -0.203 0.319 0.28 -0.063 0.47 0.45 0.146 0.614434169278997 0.606892652348792 0.772 0.9586 3561971 PK04_181147 Oc1ccc2CCN(Cc3ccccc3Br)C(C=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H10 compound treatment -0.524 -0.00155 0.0 -0.349 0.184 0.18 -0.195 0.273434169278997 0.270078059674393 0.2564 0.7962 3561972 PK04_181148 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(O)(C4)C3)C5)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H11 compound treatment 0.125 0.647 0.57 -0.429 0.104 0.1 -0.044 0.424434169278997 0.419224697486224 0.6297 0.879 3561974 PK04_181149 Brc1c[n+](Cc2ccccc2)cc3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H12 compound treatment 0.731 1.25 1.11 -0.235 0.298 0.28 -0.978 -0.509565830721003 -0.503311459575033 0.5131 0.4106 3561975 PK04_181150 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NCC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H13 compound treatment -0.539 -0.0166 -0.01 -0.883 -0.35 -0.33 -0.455 0.013434169278997 0.0132692793361416 -0.1933 -0.5787 3561977 PK04_181151 COc1ccc(Br)c(C[n+]2cc(Br)c3ccccc3c2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H14 compound treatment -0.522 4.45E-4 0.0 -0.031 0.502 0.48 -0.474 -0.00556583072100297 -0.00549751615011517 0.2732 0.5712 3561978 PK04_181152 COc1ccccc1/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H15 compound treatment 0.729 1.25 1.11 0.383 0.916 0.87 0.541 1.009434169279 0.99704445324729 1.7183 0.9954 1003512 PK04_181153 C[n+]1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H16 compound treatment -0.724 -0.202 -0.18 -0.777 -0.244 -0.23 -0.811 -0.342565830721003 -0.338361204511618 -0.4324 -0.9663 3561980 PK04_181154 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H17 compound treatment 0.094 0.616 0.54 -0.145 0.388 0.37 -0.129 0.339434169278997 0.33526798083718 0.7217 0.9766 1032420 PK04_181155 C(c1ccccc1)[n+]2ccc3ccccc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H18 compound treatment -0.262 0.26 0.23 -0.658 -0.125 -0.12 0.032 0.500434169278997 0.494291879431251 0.3496 0.6264 3561982 PK04_181156 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H19 mock treatment 0.348 0.87 0.77 1.1 1.63 1.48 -0.082 0.386434169278997 0.38169110651371 1.5218 0.8872 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H20 mock treatment 0.135 0.657 0.58 0.014 0.547 0.52 -0.473 -0.00456583072100297 -0.00450979007189113 0.6339 0.8119 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H21 compound treatment -0.28 0.242 0.21 -0.169 0.364 0.35 0.73 1.198434169279 1.18372468203163 1.0074 0.8047 3561984 PK04_181157 COc1ccc(Br)c(C[n+]2ccc3ccccc3c2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H22 compound treatment -0.283 0.239 0.21 0.057 0.59 0.56 0.067 0.535434169278997 0.528862292169093 0.7521 0.9398 3561985 PK04_181158 O=C1C=C[C@@H]2[C@@H]3C=C[C@H]([C@@H]2[C@]41CO4)[C@@]5(CO5)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H23 compound treatment -0.087 0.435 0.38 -0.136 0.397 0.38 -0.221 0.247434169278997 0.244397181640568 0.5818 0.9819 3561987 PK04_181159 COc1ccc(Br)c(C[n+]2ccc3c(cccc3c2)[N+](=O)[O-])c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 H24 compound treatment 0.352 0.874 0.77 -0.239 0.294 0.28 0.123 0.591434169278997 0.584174952549639 0.9454 0.9372 3561988 PK04_181160 CC1(C)C[C@H]2C[C@H]3C(=C[C@]2(CO1)C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I01 compound treatment -0.817 -0.295 -0.26 -0.882 -0.349 -0.33 -0.452 0.016434169278997 0.0162324575708138 -0.3329 -0.7878 3561956 PK04_181161 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4cccc(Cl)c4CO)C(=O)N(CC=C)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I02 compound treatment 0.461 0.983 0.87 -0.152 0.381 0.36 -0.589 -0.120565830721003 -0.11908601514588 0.6428 0.6769 3561990 PK04_181162 CCCNC(=O)Cc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I03 compound treatment -0.672 -0.15 -0.13 -0.467 0.066 0.06 -0.241 0.227434169278997 0.224642660076087 0.0897 0.3345 3561991 PK04_181163 OCc1c(Cl)cccc1N2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OCC=C)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I04 compound treatment -0.197 0.325 0.29 -0.082 0.451 0.43 -0.167 0.301434169278997 0.297734389864666 0.5861 0.9822 3561993 PK04_181164 COc1ccccc1/C(=C/CO)/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I05 mock treatment -0.292 0.23 0.2 -0.302 0.231 0.22 0.045 0.513434169278997 0.507132318448164 0.5375 0.9123 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I06 mock treatment 0.473 0.995 0.88 -0.259 0.274 0.26 -0.4 0.068434169278997 0.067594213638464 0.6979 0.7582 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I07 compound treatment -0.253 0.269 0.24 -0.318 0.215 0.2 -0.094 0.374434169278997 0.369838393575022 0.4693 0.9672 3561995 PK04_181165 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I08 compound treatment 0.11 0.632 0.56 -0.322 0.211 0.2 -0.241 0.227434169278997 0.224642660076087 0.5686 0.8951 3561996 PK04_181166 COc1ccccc1/C(=C/C=O)/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I09 compound treatment -0.548 -0.0256 -0.02 -0.31 0.223 0.21 -0.69 -0.221565830721003 -0.218846349046509 -0.0167 -0.0546 3561998 PK04_181167 OCc1c(Cl)cccc1N2[C@@H](C(=O)NCc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)O)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I10 compound treatment -0.015 0.507 0.45 -0.1 0.433 0.41 0.434 0.902434169278997 0.891357762877317 1.0118 0.937 2069262 PK04_181168 COc1cc(/C=C/C=O)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I11 compound treatment 0.452 0.974 0.86 -0.083 0.45 0.43 0.115 0.583434169278997 0.576273143923847 1.0776 0.9608 3562000 PK04_181169 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4ccccc4Cl)C(=O)N(CC=C)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I12 compound treatment -0.317 0.205 0.18 -0.164 0.369 0.35 -0.097 0.371434169278997 0.366875215340349 0.5197 0.963 3562002 PK04_181170 CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I13 compound treatment -1.191 -0.669 -0.59 -0.295 0.238 0.23 -0.889 -0.420565830721003 -0.415403838613093 -0.4502 -0.5945 3562003 PK04_181171 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccccc4)[C@@H]5C(=O)N(Cc6ccccc6)CC=C[C@]35O[C@@H]2/C=C/CCC(=O)N1C)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I14 compound treatment -0.24 0.282 0.25 -0.182 0.351 0.33 0.052 0.520434169278997 0.514046400995732 0.634 0.9575 3562005 PK04_181172 COc1cccc(OC)c1/C=C/CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I15 compound treatment 0.072 0.594 0.53 0.015 0.548 0.52 0.222 0.690434169278997 0.68195983429382 0.9986 0.9917 3562007 PK04_181173 CCCCNC(=O)[C@@H]1N(C2CCCCC2)C(=O)[C@H]3[C@@H]([C@H]4O[C@@]13C=C4)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I16 compound treatment -0.319 0.203 0.18 0.306 0.839 0.8 -0.312 0.156434169278997 0.15451410852218 0.6545 0.7851 3562009 PK04_181174 Clc1cccc(c1)N2C(SCC2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I17 compound treatment -0.561 -0.0386 -0.03 -0.259 0.274 0.26 -0.2 0.268434169278997 0.265139429283273 0.2841 0.7604 3561995 PK04_181175 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I18 compound treatment -0.603 -0.0806 -0.07 -0.283 0.25 0.24 -0.321 0.147434169278997 0.145624573818164 0.1805 0.6264 3065130 PK04_181176 Clc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I19 compound treatment -0.638 -0.116 -0.1 -0.415 0.118 0.11 -0.491 -0.022565830721003 -0.0222888594799239 -0.0069 -0.0451 3562010 PK04_181177 C[C@H]([C@H](OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4)c5ccccc5)N(C)C(=O)CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I20 compound treatment -0.375 0.147 0.13 -0.441 0.092 0.09 -0.327 0.141434169278997 0.139698217348819 0.2065 0.9825 3562012 PK04_181178 OC/C=C/c1cccc(c1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I21 mock treatment -0.246 0.276 0.24 -0.596 -0.063 -0.06 -0.232 0.236434169278997 0.233532194780103 0.2413 0.7029 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I22 mock treatment -0.155 0.367 0.32 -0.172 0.361 0.34 -0.119 0.349434169278997 0.34514524161942 0.5854 0.9996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I23 compound treatment -0.079 0.443 0.39 -0.732 -0.199 -0.19 -0.384 0.084434169278997 0.0833978308900488 0.1651 0.3723 3562014 PK04_181179 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3C(=O)N([C@@H]4C(=O)N(Cc5ccccc5)CC=C[C@]34O[C@@H]2/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 I24 compound treatment -1.138 -0.616 -0.54 -0.643 -0.11 -0.1 -0.753 -0.284565830721003 -0.281073091974623 -0.537 -0.8641 3215604 PK04_181180 O=C/1N(C(c2ccccc2)S(=O)(=O)\C1=C/c3ccc4ccccc4c3)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J01 compound treatment -0.195 0.327 0.29 -0.164 0.369 0.35 -0.214 0.254434169278997 0.251311264188136 0.5152 0.9905 3562016 PK04_181181 COc1ccc(Br)c(C[n+]2ccccc2C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J02 compound treatment -1.8 -1.28 -1.13 -1.431 -0.898 -0.86 -1.394 -0.925565830721003 -0.914205508116236 -1.6738 -0.9927 3562017 PK04_181182 OCCCCCCO[C@H]1C[C@H]2C(=C[C@]1(Br)C(=O)[C@@]32CO3)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J03 compound treatment -0.321 0.201 0.18 -0.365 0.168 0.16 -0.231 0.237434169278997 0.234519920858328 0.3307 0.9865 3562019 PK04_181183 COc1ccc(Br)c(C[n+]2ccc3ccccc3c2C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J04 compound treatment -1.691 -1.17 -1.03 -1.115 -0.582 -0.55 -1.521 -1.052565830721 -1.03964672005069 -1.5168 -0.9679 3562020 PK04_181184 OCCCCO[C@H]1C[C@H]2C(=C[C@]1(Br)C(=O)[C@@]32CO3)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J05 mock treatment -0.143 0.379 0.34 -0.22 0.313 0.3 0.263 0.731434169278997 0.722456603501005 0.783 0.9206 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J06 mock treatment -0.047 0.475 0.42 -0.28 0.253 0.24 -0.2 0.268434169278997 0.265139429283273 0.5349 0.9685 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J07 compound treatment -0.194 0.328 0.29 -0.145 0.388 0.37 -0.19 0.278434169278997 0.275016690065513 0.5399 0.9913 3562022 PK04_181185 Cc1[n+](Cc2ccccc2)ccc3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J08 compound treatment -0.065 0.457 0.4 0.016 0.549 0.52 0.0 0.468434169278997 0.462684644928082 0.8026 0.9946 3562023 PK04_181186 BrC1=C[C@@]2(Br)[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J09 compound treatment 0.115 0.637 0.56 -0.045 0.488 0.46 -0.094 0.374434169278997 0.369838393575022 0.8073 0.9859 3562025 PK04_181187 COc1ccc(Br)c(C[n+]2cccc3cc(OC)ccc23)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J10 compound treatment -0.806 -0.284 -0.25 -0.875 -0.342 -0.33 -0.719 -0.250565830721003 -0.247490405315006 -0.4757 -0.9914 3562026 PK04_181188 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@]2(Br)C(=O)[C@@]43CO4)Br 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J11 compound treatment -1.159 -0.637 -0.56 -1.181 -0.648 -0.62 -1.25 -0.781565830721003 -0.771972952851973 -1.127 -0.9909 3562028 PK04_181189 COc1ccc(Br)c(C[N+]2=C(C)CCC2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J12 compound treatment 0.159 0.681 0.6 -0.232 0.301 0.29 -0.342 0.126434169278997 0.124882326175459 0.5855 0.8625 3562029 PK04_181190 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccccc4)c5cc(ccc5F)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J13 compound treatment -0.88 -0.358 -0.32 -1.186 -0.653 -0.62 -0.663 -0.194565830721003 -0.19217774493446 -0.6526 -0.9017 3562031 PK04_181191 COc1ccc(Br)c(CN2CCc3cc(OC)c(OC)cc3C2C#Cc4ccccc4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J14 compound treatment 0.2 0.722 0.64 0.018 0.551 0.52 0.417 0.885434169278997 0.874566419547508 1.1768 0.9778 3562032 PK04_181192 COc1ccc(CCNC(=O)[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccccc4)c5cc(ccc5F)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J15 compound treatment -0.026 0.496 0.44 -0.187 0.346 0.33 -0.143 0.325434169278997 0.321439815742043 0.6293 0.9893 3562033 PK04_181193 COC(CN(Cc1cccc(OC)c1)S(=O)(=O)c2ccc(C)cc2)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J16 compound treatment 0.209 0.731 0.65 0.037 0.57 0.54 0.132 0.600434169278997 0.593064487253655 1.0293 0.9975 3562034 PK04_181194 COc1ccc(CCN2C(=O)C3(CC(=O)N(Cc4ccccc4)C3c5ccccc5)c6cc(ccc26)[N+](=O)[O-])cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J17 compound treatment 0.362 0.884 0.78 -0.16 0.373 0.36 -0.02 0.448434169278997 0.442930123363601 0.9124 0.9441 3562035 PK04_181195 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J18 compound treatment -0.477 0.0454 0.04 -0.646 -0.113 -0.11 -0.561 -0.0925658307210031 -0.0914296849556071 -0.0917 -0.6247 3562036 PK04_181196 C[C@@]1(CCc2ccccc2)C[C@@H](C[Si](C)(C)C(c3ccccc3)c4ccccc4)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J19 compound treatment -0.464 0.0584 0.05 -0.25 0.283 0.27 -0.525 -0.056565830721003 -0.0558715461395415 0.1533 0.547 3562038 PK04_181197 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C#Cc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J20 compound treatment -0.262 0.26 0.23 -0.086 0.447 0.43 -0.156 0.312434169278997 0.308599376725131 0.557 0.9701 3562039 PK04_181198 CCCCCCC1C[C@]2(CC[C@@H](CC2)C(C)(C)C)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J21 mock treatment -0.417 0.105 0.09 -0.076 0.457 0.44 -0.212 0.256434169278997 0.253286716344584 0.4514 0.8812 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J22 mock treatment 0.507 1.03 0.91 -0.127 0.406 0.39 -0.224 0.244434169278997 0.241434003405896 0.8882 0.8725 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J23 compound treatment -0.274 0.248 0.22 -0.493 0.04 0.04 -0.529 -0.060565830721003 -0.0598224504524376 0.1143 0.4952 3562041 PK04_181199 COc1cc2CCN(CC=C)C(C#Cc3ccccc3)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 J24 compound treatment -0.042 0.48 0.42 -0.112 0.421 0.4 -0.299 0.169434169278997 0.167354547539093 0.5734 0.9436 3562042 PK04_181200 Cc1ccc(cc1)C2C[C@]3(CC[C@@H](CC3)C(C)(C)C)OO2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K01 compound treatment -0.169 0.353 0.31 -0.073 0.46 0.44 -0.423 0.045434169278997 0.0448765138393111 0.4594 0.8505 3562010 PK04_181201 C[C@H]([C@H](OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4)c5ccccc5)N(C)C(=O)CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K02 compound treatment 0.526 1.05 0.93 -0.619 -0.086 -0.08 0.354 0.822434169278997 0.812339676619393 0.9569 0.7747 3215602 PK04_181202 Cc1c(NC(=O)/C(=C/c2ccc3ccccc3c2)/C#N)c(=O)n(c4ccccc4)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K03 compound treatment 0.266 0.788 0.7 -0.408 0.125 0.12 -0.451 0.017434169278997 0.0172201836490378 0.4812 0.6802 3562044 PK04_181203 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K04 compound treatment -0.062 0.46 0.41 0.05 0.583 0.56 0.027 0.495434169278997 0.489353249040131 0.8382 0.9922 3562046 PK04_181204 COc1cccc(OC)c1/C=C/C=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K05 compound treatment -0.081 0.441 0.39 -0.205 0.328 0.31 -0.075 0.393434169278997 0.388605189061278 0.6301 0.9951 2065615 PK04_181205 COc1ccc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K06 compound treatment -1.021 -0.499 -0.44 -0.682 -0.149 -0.14 -0.472 -0.00356583072100297 -0.00352206399366708 -0.3384 -0.7309 3562048 PK04_181206 Clc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K07 mock treatment -0.103 0.419 0.37 -0.068 0.465 0.44 0.206 0.674434169278997 0.666156217042235 0.8545 0.969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K08 mock treatment 0.54 1.06 0.94 -0.297 0.236 0.22 -0.198 0.270434169278997 0.267114881439721 0.8264 0.8246 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K09 compound treatment 0.027 0.549 0.49 -0.264 0.269 0.26 0.475 0.943434169278997 0.931854532084503 0.9664 0.8935 3562049 PK04_181207 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC=C)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K10 compound treatment -0.349 0.173 0.15 -0.395 0.138 0.13 -0.439 0.029434169278997 0.0290728965877263 0.1812 0.888 3562051 PK04_181208 Clc1cccc(c1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K11 compound treatment -0.054 0.468 0.41 -0.348 0.185 0.18 -0.341 0.127434169278997 0.125870052253683 0.4136 0.8849 3562052 PK04_181209 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K12 compound treatment -0.14 0.382 0.34 -0.226 0.307 0.29 -0.131 0.337434169278997 0.333292528680732 0.5565 0.998 3562054 PK04_181210 O=C1CSCN1c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K13 compound treatment -0.425 0.0974 0.09 -0.603 -0.07 -0.07 -0.359 0.109434169278997 0.10809098284565 0.0737 0.4801 3562052 PK04_181211 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K14 compound treatment 0.2 0.722 0.64 -0.628 -0.095 -0.09 1.422 1.890434169279 1.55465594753778 1.2141 0.7213 1951450 PK04_181212 Cc1c(N2C(SCC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K15 mock treatment -0.161 0.361 0.32 -0.061 0.472 0.45 -0.071 0.397434169278997 0.392556093374175 0.6708 0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K16 mock treatment -0.026 0.496 0.44 -0.139 0.394 0.38 -0.195 0.273434169278997 0.270078059674393 0.6261 0.9819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K17 compound treatment 0.462 0.984 0.87 0.425 0.958 0.91 0.286 0.754434169278997 0.745174303300158 1.4597 0.9965 3562052 PK04_181213 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K18 compound treatment -0.115 0.407 0.36 0.103 0.636 0.61 0.167 0.635434169278997 0.627634899991497 0.9202 0.9749 3562055 PK04_181214 CN1C(SCC1=O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K19 compound treatment -0.453 0.0694 0.06 -0.197 0.336 0.32 0.0 0.468434169278997 0.462684644928082 0.4874 0.8612 3562056 PK04_181215 COCOc1ccc2cc(Br)ccc2c1c3c(OCOC)ccc4cc(Br)ccc34 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K20 compound treatment -0.132 0.39 0.35 -0.038 0.495 0.47 -0.312 0.156434169278997 0.15451410852218 0.5608 0.9277 3562057 PK04_181216 O=C1CS(=O)(=O)CN1c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K21 compound treatment 1.944 2.47 1.51 0.295 0.828 0.79 0.667 1.135434169279 1.12149793910352 1.9733 0.9683 3220192 PK04_181217 CC(CO)N1C2C(=O)N(Cc3ccccc3)CC=CC42OC5C=CCOC(=O)C5C4C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K22 compound treatment -0.112 0.41 0.36 -0.144 0.389 0.37 -0.307 0.161434169278997 0.1594527389133 0.5155 0.9501 3562058 PK04_181218 CN1C(c2ccccc2)S(=O)(=O)CC1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K23 mock treatment -0.402 0.12 0.11 -0.381 0.152 0.14 -0.395 0.073434169278997 0.0725328440295843 0.187 0.9645 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 K24 mock treatment 0.02 0.542 0.48 0.083 0.616 0.59 -0.063 0.405434169278997 0.400457901999967 0.8469 0.988 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L01 compound treatment -0.171 0.351 0.31 -0.133 0.4 0.38 -0.271 0.197434169278997 0.195010877729366 0.512 0.9679 3562059 PK04_181219 COc1cc2CC[N+](=Cc2cc1OC)Cc3ccc(Br)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L02 compound treatment -0.488 0.0344 0.03 -0.28 0.253 0.24 -0.513 -0.044565830721003 -0.0440188332008529 0.1313 0.5319 3562060 PK04_181220 CCOC(=O)CCC1(C)C[C@]2(CC[C@@H](CC2)C(C)(C)C)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L03 compound treatment -0.545 -0.0226 -0.02 -0.348 0.185 0.18 -0.386 0.082434169278997 0.0814223787336007 0.1373 0.7032 3562062 PK04_181221 Cc1cc2ccccc2c[n+]1CCCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L04 compound treatment -0.542 -0.0196 -0.02 -0.495 0.038 0.04 -0.514 -0.045565830721003 -0.045006559279077 -0.015 -0.2493 3562063 PK04_181222 CC1(CCc2ccccc2)CC(CO)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L05 compound treatment 0.061 0.583 0.52 -0.115 0.418 0.4 0.066 0.534434169278997 0.527874566090869 0.8325 0.9927 3562064 PK04_181223 COc1ccc(Br)c(C[n+]2cc3ccccc3cc2C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L06 compound treatment -0.418 0.104 0.09 0.179 0.712 0.68 -0.272 0.196434169278997 0.194023151651142 0.557 0.7827 3562065 PK04_181224 CC(C)(C)[C@H]1CC[C@]2(CC(C)(CC(C)(C)CO)OO2)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L07 mock treatment -0.028 0.494 0.44 0.068 0.601 0.57 -0.356 0.112434169278997 0.111054161080322 0.6471 0.8878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L08 mock treatment -0.086 0.436 0.39 -0.039 0.494 0.47 1.623 2.091434169279 1.59403780623518 1.4148 0.8292 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L09 compound treatment 0.123 0.645 0.57 0.621 1.15 1.1 -0.096 0.372434169278997 0.367862941418573 1.1766 0.9106 3562067 PK04_181225 CC1=[N+](C)C2C3CC=CC3C1c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L10 compound treatment -0.131 0.391 0.35 -0.333 0.2 0.19 -0.24 0.228434169278997 0.225630386154311 0.4401 0.9673 3562068 PK04_181226 CC(C)(C)[C@H]1CC[C@]2(CC(C)(CCO)OO2)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L11 compound treatment 0.723 1.25 1.1 1.5 2.03 1.56 0.959 1.427434169279 1.40991395394494 2.353 0.9901 1006359 PK04_181227 Cc1cccc[n+]1C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L12 compound treatment -0.165 0.357 0.32 -0.149 0.384 0.37 -0.222 0.246434169278997 0.243409455562344 0.5342 0.987 3562070 PK04_181228 CC1(CCOCc2ccccc2)CC(C)(CCc3ccccc3)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L13 compound treatment 0.072 0.594 0.53 0.307 0.84 0.8 0.0 0.468434169278997 0.462684644928082 1.0326 0.9711 3562071 PK04_181229 C[n+]1cc2ccccc2cc1C#N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L14 compound treatment -0.544 -0.0216 -0.02 -0.244 0.289 0.28 -0.353 0.115434169278997 0.114017339314994 0.2138 0.7159 3562072 PK04_181230 COc1ccc(CN/2C(C3CC3)c4ccccc4C\C2=N\P(=O)(Oc5ccccc5)Oc6ccccc6)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L15 mock treatment -0.415 0.107 0.09 -0.167 0.366 0.35 -0.307 0.161434169278997 0.1594527389133 0.3482 0.8815 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L16 mock treatment -0.127 0.395 0.35 -0.078 0.455 0.43 -0.206 0.262434169278997 0.259213072813929 0.6018 0.9797 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L17 compound treatment -1.198 -0.676 -0.6 -1.21 -0.677 -0.64 -0.966 -0.497565830721003 -0.491458746636345 -1.0009 -0.9939 3562074 PK04_181231 CCCCOC1CC2[N+](=C(C)C1c3ccccc23)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L18 compound treatment -0.523 -5.55E-4 0.0 -0.06 0.473 0.45 0.99 1.458434169279 1.44053346236989 1.0916 0.7232 3562075 PK04_181232 CCCCCCC1C[C@]2(CCC[C@@H](C)C2)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L19 compound treatment -0.496 0.0264 0.02 -0.557 -0.024 -0.02 -0.713 -0.244565830721003 -0.241564048845662 -0.1391 -0.5708 3188663 PK04_181233 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L20 compound treatment 0.077 0.599 0.53 -0.085 0.448 0.43 -1.047 -0.578565830721003 -0.571464558972492 0.2225 0.2504 3562077 PK04_181234 CC1(CCO)CC(C)(CCc2ccccc2)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L21 compound treatment -0.718 -0.196 -0.17 -0.388 0.145 0.14 -0.147 0.321434169278997 0.317488911429147 0.1633 0.4218 3070955 PK04_181235 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L22 compound treatment 0.014 0.536 0.47 -0.145 0.388 0.37 -0.165 0.303434169278997 0.299709842021114 0.6603 0.9828 3562078 PK04_181236 COC(=O)CC1(C)CC(C)(CCc2ccccc2)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L23 mock treatment -0.624 -0.102 -0.09 0.19 0.723 0.69 0.068 0.536434169278997 0.529850018247317 0.6518 0.746 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 L24 mock treatment -0.086 0.436 0.39 0.043 0.576 0.55 -0.04 0.428434169278997 0.42317560179912 0.7839 0.9884 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M01 compound treatment -0.065 0.457 0.4 0.276 0.809 0.77 0.167 0.635434169278997 0.627634899991497 1.0408 0.97 3562079 PK04_181237 CC(C)(C)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C\COC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M02 compound treatment -1.127 -0.605 -0.53 -0.866 -0.333 -0.32 -0.841 -0.372565830721003 -0.367992986858339 -0.7042 -0.9749 3562081 PK04_181238 Clc1ccccc1/C=C/C=C\2/C(=O)N(CS2(=O)=O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M03 compound treatment -0.348 0.174 0.15 -0.081 0.452 0.43 0.118 0.586434169278997 0.579236322158519 0.6721 0.9106 3562049 PK04_181239 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC=C)C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M04 compound treatment -0.897 -0.375 -0.33 0.06 0.593 0.56 -0.108 0.360434169278997 0.356010228479885 0.3405 0.4569 3562083 PK04_181240 CN1C(c2ccccc2)S(=O)(=O)/C(=C\C=C\c3ccccc3Cl)/C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M05 compound treatment -0.795 -0.273 -0.24 -0.197 0.336 0.32 -0.95 -0.481565830721003 -0.47565512938476 -0.2289 -0.3681 3562085 PK04_181241 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M06 compound treatment -0.557 -0.0346 -0.03 0.039 0.572 0.54 -0.052 0.416434169278997 0.411322888860431 0.5345 0.782 1053847 PK04_181242 O=C1CSC(N1c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M07 compound treatment -0.824 -0.302 -0.27 -0.5 0.033 0.03 -0.62 -0.151565830721003 -0.149705523570826 -0.2222 -0.7228 3562085 PK04_181243 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M08 compound treatment -0.295 0.227 0.2 0.017 0.55 0.52 -0.083 0.385434169278997 0.380703380435486 0.6384 0.9414 3562087 PK04_181244 COc1ccccc1/C=C/C=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M09 mock treatment -0.516 0.00645 0.01 -0.238 0.295 0.28 -0.731 -0.262565830721003 -0.259343118253694 0.0158 0.0414 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M10 mock treatment -0.043 0.479 0.42 -0.123 0.41 0.39 -0.423 0.045434169278997 0.0448765138393111 0.4962 0.8582 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M11 compound treatment -0.054 0.468 0.41 -0.673 -0.14 -0.13 -0.362 0.106434169278997 0.105127804610978 0.2228 0.4978 3562085 PK04_181245 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M12 compound treatment -0.714 -0.192 -0.17 -0.516 0.017 0.02 -0.313 0.155434169278997 0.153526382443956 2.0E-4 0.001 3562088 PK04_181246 O=C1CS(=O)(=O)C(N1c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M13 mock treatment -0.425 0.0974 0.09 -0.391 0.142 0.14 -0.452 0.016434169278997 0.0162324575708138 0.1372 0.8512 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M14 mock treatment -0.198 0.324 0.29 -0.109 0.424 0.4 0.909 1.377434169279 1.36052765003374 1.1843 0.818 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M15 compound treatment -0.426 0.0964 0.09 -0.559 -0.026 -0.02 -0.239 0.229434169278997 0.226618112232535 0.1658 0.6812 3562089 PK04_181247 CCCCCNC(=O)[C@@H]1N(C(=O)[C@H]2[C@@H]([C@H]3O[C@@]12C=C3)C(=O)OCC)c4ccccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M16 compound treatment -0.547 -0.0246 -0.02 -0.224 0.309 0.29 -0.067 0.401434169278997 0.396506997687071 0.3864 0.7816 2118235 PK04_181248 [O-][N+](=O)c1cccc(/C=C/C=O)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M17 compound treatment -0.424 0.0984 0.09 -0.42 0.113 0.11 -0.429 0.039434169278997 0.0389501573699668 0.1349 0.9379 3562089 PK04_181249 CCCCCNC(=O)[C@@H]1N(C(=O)[C@H]2[C@@H]([C@H]3O[C@@]12C=C3)C(=O)OCC)c4ccccc4Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M18 compound treatment -1.903 -1.38 -1.22 -0.912 -0.379 -0.36 -1.8 -1.331565830721 -1.3152222958752 -1.6725 -0.9138 3562090 PK04_181250 CC(C)Cc1ccc(/C=C/C=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M19 compound treatment -1.27 -0.748 -0.66 -1.19 -0.657 -0.63 -1.178 -0.709565830721003 -0.700856675219842 -1.1476 -0.9989 3561852 PK04_181251 CCOC(=O)C1C2OC3(C=C2)C(N(C(=O)C13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M20 compound treatment -0.111 0.411 0.36 -0.186 0.347 0.33 -0.061 0.407434169278997 0.402433354156415 0.6332 0.9968 3215597 PK04_181252 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3cccc(c3)[N+](=O)[O-])S2(=O)=O)c4cc(C)cc(C)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M21 compound treatment -0.033 0.489 0.43 -0.295 0.238 0.23 -0.264 0.204434169278997 0.201924960276934 0.4973 0.9408 3562092 PK04_181253 O=C1C2C3C(OC42C=CCN(Cc5ccccc5)C(=O)C4N1C6CCCCC6)C=CCOC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M22 compound treatment -0.63 -0.108 -0.1 -0.306 0.227 0.22 -0.714 -0.245565830721003 -0.242551774923886 -0.0701 -0.2069 3562093 PK04_181254 CCOc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M23 compound treatment -0.342 0.18 0.16 -0.589 -0.056 -0.05 -0.562 -0.0935658307210031 -0.0924174110338311 0.008 0.0415 3562094 PK04_181255 O=C1C2C3C4OC2(C=C4)C(N1C5CCCCC5)C(=O)N(Cc6ccccc6)CCCCOC3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 M24 compound treatment -0.508 0.0144 0.01 -0.369 0.164 0.16 -0.615 -0.146565830721003 -0.144766893179705 0.014 0.0657 3562095 PK04_181256 Cc1cc(C)cc(c1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N01 compound treatment -0.565 -0.0426 -0.04 -0.569 -0.036 -0.03 -0.326 0.142434169278997 0.140685943427043 0.0397 0.2656 3188533 PK04_181257 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N02 compound treatment -1.282 -0.76 -0.67 -0.703 -0.17 -0.16 -0.307 0.161434169278997 0.1594527389133 -0.3891 -0.5489 3562096 PK04_181258 CC1(CCc2ccccc2)CC(C)(CC(=O)O)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N03 compound treatment 0.75 1.27 1.12 0.453 0.986 0.94 0.262 0.730434169278997 0.721468877422781 1.6084 0.9846 3562097 PK04_181259 C=C/C=C/[C@H]1[C@@H]2[C@H](Cc3ccccc3)OC(=O)[C@H](Cc4ccccc4)N2CC1=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N04 compound treatment -0.841 -0.319 -0.28 -0.551 -0.018 -0.02 -0.529 -0.060565830721003 -0.0598224504524376 -0.207 -0.7177 3562099 PK04_181260 CC1(CCOCc2ccccc2)CC(C)(COCc3ccccc3)OO1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N05 compound treatment 0.068 0.59 0.52 0.296 0.829 0.79 0.143 0.611434169278997 0.60392947411412 1.1061 0.985 3562100 PK04_181261 Cn1c(=O)n2[C@H]3[C@@H]4[C@H](Cc5ccccc5)OC(=O)[C@H](Cc6ccccc6)N4CC3=C[C@@H](C7CC7)n2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N06 compound treatment -0.278 0.244 0.22 -0.271 0.262 0.25 -0.316 0.152434169278997 0.150563204209284 0.3558 0.9805 3562102 PK04_181262 C[C@@H]1CCC[C@]2(CC(C)(CCOCc3ccccc3)OO2)C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N07 compound treatment -0.652 -0.13 -0.11 -0.143 0.39 0.37 -0.644 -0.175565830721003 -0.173410949448203 0.0483 0.1134 3562104 PK04_181263 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3[C@H]1Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N08 compound treatment -0.083 0.439 0.39 -0.129 0.404 0.38 -0.233 0.235434169278997 0.232544468701879 0.5808 0.9773 3562106 PK04_181264 CC1(C)O[C@]2(C)CC[C@@H]1OO2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N09 mock treatment -0.269 0.253 0.22 0.0 0.533 0.51 0.057 0.525434169278997 0.518985031386852 0.7222 0.9504 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N10 mock treatment -0.227 0.295 0.26 -0.282 0.251 0.24 -0.092 0.376434169278997 0.37181384573147 0.5036 0.9806 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N11 compound treatment -0.696 -0.174 -0.15 -0.5 0.033 0.03 -0.492 -0.023565830721003 -0.023276585558148 -0.0839 -0.5295 3188666 PK04_181265 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N12 compound treatment -0.309 0.213 0.19 -0.443 0.09 0.09 -0.77 -0.301565830721003 -0.297864435304432 -0.0135 -0.0372 3562108 PK04_181266 CC[C@]1(CC[C@@H]2OO1)OC2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N13 mock treatment -0.175 0.347 0.31 -0.164 0.369 0.35 -0.105 0.363434169278997 0.358973406714557 0.5876 0.9977 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N14 mock treatment -0.417 0.105 0.09 -0.183 0.35 0.33 -0.207 0.261434169278997 0.258225346735705 0.3954 0.9155 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N15 compound treatment -0.729 -0.207 -0.18 -0.618 -0.085 -0.08 -0.457 0.011434169278997 0.0112938271796935 -0.1456 -0.728 3188536 PK04_181267 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N16 compound treatment -0.487 0.0354 0.03 -0.821 -0.288 -0.27 -0.887 -0.418565830721003 -0.413428386456645 -0.379 -0.7623 3562110 PK04_181268 CCC[C@]1(CC[C@@H]2OO1)OC2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N17 compound treatment -0.645 -0.123 -0.11 -0.233 0.3 0.29 -0.2 0.268434169278997 0.265139429283273 0.2556 0.6315 3188535 PK04_181269 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N18 compound treatment 0.07 0.592 0.52 -0.017 0.516 0.49 -0.175 0.293434169278997 0.289832581238874 0.7536 0.9728 3562112 PK04_181270 CC1(C)O[C@]2(CCc3ccccc3)CC[C@@H]1OO2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N19 compound treatment 0.067 0.589 0.52 -0.048 0.485 0.46 0.064 0.532434169278997 0.525899113934421 0.8713 0.9983 3070940 PK04_181271 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N20 compound treatment -1.746 -1.22 -1.08 -1.507 -0.974 -0.93 -1.8 -1.331565830721 -1.3152222958752 -1.9196 -0.9898 3562114 PK04_181272 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N21 compound treatment -0.016 0.506 0.45 -0.507 0.026 0.02 -0.571 -0.102565830721003 -0.101306945737847 0.2143 0.4662 3188534 PK04_181273 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N22 compound treatment -0.187 0.335 0.3 -0.125 0.408 0.39 -0.25 0.218434169278997 0.215753125372071 0.5202 0.9734 3562115 PK04_181274 CC(C)(C)[C@H]1CC[C@]2(CC(C[Si](C)(C)C)OO2)CC1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N23 compound treatment -0.667 -0.145 -0.13 0.232 0.765 0.73 -0.571 -0.102565830721003 -0.101306945737847 0.2885 0.3863 3562117 PK04_181275 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@H](C4CC4)n5n([C@@H]3[C@H]2[C@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 N24 compound treatment -0.122 0.4 0.35 -0.035 0.498 0.47 0.111 0.579434169278997 0.572322239610951 0.8088 0.9822 1004341 PK04_181276 c1ccc2cnccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O01 compound treatment -0.787 -0.265 -0.23 -0.757 -0.224 -0.21 -0.835 -0.366565830721003 -0.362066630388995 -0.4673 -0.9715 3562118 PK04_181277 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)c4cccc(Cl)c4CO)C(=O)NCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O02 compound treatment -0.326 0.196 0.17 -0.55 -0.017 -0.02 -0.381 0.087434169278997 0.0863610091247209 0.1408 0.7235 3562120 PK04_181278 CCOc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O03 compound treatment -0.239 0.283 0.25 0.061 0.594 0.57 -0.035 0.433434169278997 0.42811423219024 0.7186 0.9549 3562122 PK04_181279 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O04 compound treatment -0.441 0.0814 0.07 -0.358 0.175 0.17 -0.527 -0.058565830721003 -0.0578469982959896 0.1045 0.5479 3562124 PK04_181280 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3cccc(c3)[N+](=O)[O-])S2(=O)=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O05 compound treatment -0.732 -0.21 -0.19 -0.565 -0.032 -0.03 -0.19 0.278434169278997 0.275016690065513 0.0342 0.1028 3562122 PK04_181281 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O06 compound treatment -0.34 0.182 0.16 -0.577 -0.044 -0.04 -0.509 -0.040565830721003 -0.0400679288879567 0.0458 0.2673 3562126 PK04_181282 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4cc(C)cc(C)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O07 compound treatment 1.937 2.46 1.51 0.62 1.15 1.1 0.169 0.637434169278997 0.629610352147945 1.8675 0.949 3562128 PK04_181283 CCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)C(C)(C)C)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O08 compound treatment -0.289 0.233 0.21 0.122 0.655 0.62 0.945 1.413434169279 1.3960857888498 1.2855 0.8331 3215600 PK04_181284 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O09 compound treatment -0.135 0.387 0.34 -0.125 0.408 0.39 0.278 0.746434169278997 0.737272494674366 0.8479 0.9409 3562128 PK04_181285 CCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)C(C)(C)C)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O10 compound treatment -0.64 -0.118 -0.1 -0.54 -0.00695 -0.01 -0.518 -0.049565830721003 -0.0489574635919732 -0.0921 -0.8003 3562130 PK04_181286 OCCSCC(O)CC(O)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O11 mock treatment -0.39 0.132 0.12 -0.069 0.464 0.44 -0.392 0.076434169278997 0.0754960222642564 0.3664 0.7905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O12 mock treatment -0.065 0.457 0.4 -0.172 0.361 0.34 -0.046 0.422434169278997 0.417249245329776 0.673 0.9966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O13 compound treatment -0.703 -0.181 -0.16 -0.396 0.137 0.13 -0.613 -0.144565830721003 -0.142791441023257 -0.0992 -0.3956 3561848 PK04_181287 CCCCCN1C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C1=O)c5ccccc5Cl)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O14 compound treatment 0.3 0.822 0.73 0.432 0.965 0.92 0.121 0.589434169278997 0.582199500393191 1.2867 0.9832 3562131 PK04_181288 OC(CSc1ccncc1)CC(O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O15 compound treatment -0.034 0.488 0.43 0.012 0.545 0.52 -0.045 0.423434169278997 0.418236971408 0.7906 0.9952 3562132 PK04_181289 C[C@H](C(O)c1ccccc1)N(C)C(=O)CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O16 compound treatment -0.175 0.347 0.31 -0.087 0.446 0.42 -0.015 0.453434169278997 0.447868753754721 0.6813 0.9879 3562134 PK04_181290 COC(=O)CCCCCCC(=O)Nc1ccc(C=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O17 compound treatment -0.095 0.427 0.38 -0.218 0.315 0.3 0.0 0.468434169278997 0.462684644928082 0.6586 0.9851 3562132 PK04_181291 C[C@H](C(O)c1ccccc1)N(C)C(=O)CCC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O18 compound treatment -0.242 0.28 0.25 -0.307 0.226 0.22 -0.259 0.209434169278997 0.206863590668054 0.3869 0.9969 3562135 PK04_181292 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3ccccn3)CC(O2)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O19 compound treatment 0.704 1.23 1.08 -0.293 0.24 0.23 -0.233 0.235434169278997 0.232544468701879 0.8923 0.7881 3561921 PK04_181293 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O20 compound treatment -0.126 0.396 0.35 -0.519 0.014 0.01 -0.485 -0.016565830721003 -0.0163625030105797 0.2006 0.5714 3562136 PK04_181294 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc4ccccc4s3)CC(O2)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O21 compound treatment 0.157 0.679 0.6 -1.05 -0.517 -0.49 -0.87 -0.401565830721003 -0.396637043126837 -0.1665 -0.1909 3561921 PK04_181295 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O22 compound treatment -0.278 0.244 0.22 -0.069 0.464 0.44 0.088 0.556434169278997 0.549604539811798 0.6973 0.9453 3562137 PK04_181296 OC(CC=C)c1ccc(cc1)[N+](=O)[O-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O23 compound treatment -0.429 0.0934 0.08 -0.467 0.066 0.06 -0.37 0.098434169278997 0.0972259959851854 0.1402 0.9852 3561921 PK04_181297 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 O24 compound treatment -0.758 -0.236 -0.21 -0.594 -0.061 -0.06 -0.216 0.252434169278997 0.249335812031688 -0.0098 -0.0297 3562138 PK04_181298 CC(C)(C)OC(=O)OC(CC=C)c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P01 compound treatment -0.246 0.276 0.24 -0.198 0.335 0.32 -0.128 0.340434169278997 0.336255706915404 0.5195 0.9913 3562139 PK04_181299 COC(=O)C1(CCCCC1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P02 compound treatment -0.5 0.0224 0.02 -0.054 0.479 0.46 1.515 1.983434169279 1.57354461079613 1.1834 0.7223 1015751 PK04_181300 Cc1ccncc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P03 compound treatment 0.795 1.32 1.16 -0.726 -0.193 -0.18 0.068 0.536434169278997 0.529850018247317 0.8723 0.6747 3562141 PK04_181301 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@H](/C=C/C3CC3)[C@@H](O)Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P04 compound treatment -0.275 0.247 0.22 -0.386 0.147 0.14 0.021 0.489434169278997 0.483426892570787 0.4863 0.8861 3562143 PK04_181302 COc1cc2CCN(=Cc2cc1OC)Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P05 compound treatment 0.63 1.15 1.02 -0.853 -0.32 -0.3 -0.764 -0.295565830721003 -0.291938078835088 0.2437 0.221 3562144 PK04_181303 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=CCCC=C[C@H]4[C@@H]3[C@@H](O)Cc5ccccc5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P06 compound treatment -0.405 0.117 0.1 -0.291 0.242 0.23 -0.632 -0.163565830721003 -0.161558236509514 0.0998 0.3326 1024512 PK04_181304 COc1cc2CCN=C(C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P07 compound treatment 0.008 0.53 0.47 -0.296 0.237 0.23 -0.271 0.197434169278997 0.195010877729366 0.5137 0.9242 3562146 PK04_181305 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3C51CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P08 compound treatment -0.2 0.322 0.29 -0.357 0.176 0.17 0.632 1.100434169279 1.08692752636568 0.889 0.7824 3562148 PK04_181306 COc1cc2CC(C)N(=Cc2cc1OC)Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P09 compound treatment -0.313 0.209 0.19 -0.084 0.449 0.43 1.336 1.804434169279 1.53605093223435 1.2407 0.7729 3562149 PK04_181307 COC(=O)C1(CCCC1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P10 compound treatment 0.693 1.22 1.07 1.466 2.0 1.56 -0.131 0.337434169278997 0.333292528680732 1.7127 0.891 1003512 PK04_181308 C[n+]1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P11 mock treatment 0.808 1.33 1.18 0.015 0.548 0.52 -0.086 0.382434169278997 0.377740202200814 1.1986 0.8937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P12 mock treatment 0.2 0.722 0.64 0.063 0.596 0.57 0.113 0.581434169278997 0.574297691767399 1.0282 0.9986 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P13 compound treatment 1.205 1.73 1.39 -0.083 0.45 0.43 -0.474 -0.00556583072100297 -0.00549751615011517 1.0474 0.7196 3562151 PK04_181309 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3C[C@](C)(OC)O[C@@H](Cc4ccccc4)[C@H]3/C=C/C5CC5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P14 compound treatment 0.294 0.816 0.72 0.198 0.731 0.7 -0.152 0.316434169278997 0.312550281038027 0.9993 0.9512 1009497 PK04_181310 Cc1cc[n+](C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P15 compound treatment -0.96 -0.438 -0.39 -0.553 -0.02 -0.02 -0.614 -0.145565830721003 -0.143779167101481 -0.3173 -0.7681 3562153 PK04_181311 COC(=O)[C@@H]1N[C@H](SC1(C)C)[C@@H]2N(CC#C)[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P16 compound treatment -0.259 0.263 0.23 0.535 1.07 1.02 -0.141 0.327434169278997 0.323415267898492 0.9086 0.8315 1023898 PK04_181312 COc1cc2CC[N+](=Cc2cc1OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P17 compound treatment -0.812 -0.29 -0.26 -0.71 -0.177 -0.17 -0.615 -0.146565830721003 -0.144766893179705 -0.3287 -0.9697 3562155 PK04_181313 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC(=C[C@@H]3[C@@H](O)Cc4ccccc4)/C=C/C5CC5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P18 compound treatment 0.053 0.575 0.51 -0.553 -0.02 -0.02 -0.628 -0.159565830721003 -0.157607332196618 0.1918 0.3598 1071838 PK04_181314 COc1cc2CC[N+](=C(C)c2cc1OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P19 compound treatment -0.354 0.168 0.15 -0.507 0.026 0.02 -0.095 0.373434169278997 0.368850667496798 0.3133 0.786 3562157 PK04_181315 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)C41CCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P20 compound treatment 0.172 0.694 0.61 0.893 1.43 1.36 0.538 1.006434169279 0.994081275012618 1.7127 0.9559 1023900 PK04_181316 COc1cc2CC(C)[N+](=Cc2cc1OC)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P21 compound treatment 0.011 0.533 0.47 0.25 0.783 0.75 -0.072 0.396434169278997 0.391568367295951 0.929 0.9622 3562159 PK04_181317 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=C[C@@H](C5CC5)n6n(C4[C@@H]3[C@@H](O)Cc7ccccc7)c(=O)n(C)c6=O)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P22 compound treatment -0.106 0.416 0.37 -0.1 0.433 0.41 -0.568 -0.0995658307210029 -0.0983437675031753 0.394 0.7015 1107245 PK04_181318 COc1ccc(C[n+]2ccc3ccccc3c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P23 compound treatment 0.747 1.27 1.12 0.2 0.733 0.7 -0.318 0.150434169278997 0.148587752052836 1.1369 0.8547 3562161 PK04_181319 CC(=CCc1cc(/C=C/2\OC(=O)C(=C2O)c3cc4CCC(C)(C)Oc4cc3O)ccc1O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2181 P24 compound treatment -0.367 0.155 0.14 -0.19 0.343 0.33 -0.123 0.345434169278997 0.341194337306524 0.465 0.9451 3562163 PK04_181320 COc1ccc(C[n+]2ccc(C)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A01 compound treatment -0.829 -0.307 -0.27 -0.524 0.00905 0.01 -0.662 -0.193565830721003 -0.191190018856236 -0.2619 -0.7893 3188923 BCB03_000640 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A02 compound treatment -0.073 0.449 0.4 -0.228 0.305 0.29 0.364 0.832434169278997 0.822216937401634 0.8719 0.9098 3563114 BCB03_000641 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C)c3ccccc3C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A03 compound treatment -0.863 -0.341 -0.3 -0.486 0.047 0.04 -0.393 0.075434169278997 0.0745082961860324 -0.1049 -0.3348 3071127 BCB03_000642 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A04 compound treatment 0.208 0.73 0.65 -0.65 -0.117 -0.11 -0.173 0.295434169278997 0.291808033395322 0.477 0.6649 3563115 BCB03_000643 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C)c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A05 compound treatment -0.889 -0.367 -0.32 -0.514 0.019 0.02 -0.366 0.102434169278997 0.101176900298082 -0.1182 -0.3477 3071425 BCB03_000644 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A06 compound treatment 0.047 0.569 0.5 0.047 0.58 0.55 -0.547 -0.078565830721003 -0.0776015198604705 0.5649 0.7516 3563116 BCB03_000645 COc1ccc(CN/2C(C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A07 compound treatment -1.052 -0.53 -0.47 -0.797 -0.264 -0.25 -0.725 -0.256565830721003 -0.25341676178435 -0.5618 -0.9542 3215868 BCB03_000646 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A08 compound treatment -0.397 0.125 0.11 -0.288 0.245 0.23 -0.437 0.031434169278997 0.0310483487441744 0.2167 0.8326 3563118 BCB03_000647 COc1ccc(CN2CCc3ccccc3C2C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A09 compound treatment -1.115 -0.593 -0.52 -0.902 -0.369 -0.35 -0.833 -0.364565830721003 -0.360091178232547 -0.7133 -0.982 3215866 BCB03_000648 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A10 compound treatment -0.608 -0.0856 -0.08 -0.262 0.271 0.26 0.042 0.510434169278997 0.504169140213492 0.3965 0.6938 3563119 BCB03_000649 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C=C)c3ccccc3C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A11 compound treatment -0.667 -0.145 -0.13 -0.643 -0.11 -0.1 -0.31 0.158434169278997 0.156489560678628 -0.0439 -0.1929 3070999 BCB03_000650 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A12 compound treatment -0.228 0.294 0.26 -0.286 0.247 0.24 -0.54 -0.071565830721003 -0.0706874373129021 0.2454 0.6854 3563120 BCB03_000651 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C=C)c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A13 mock treatment -0.112 0.41 0.36 -0.024 0.509 0.48 0.101 0.569434169278997 0.56244497882871 0.8142 0.9851 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A14 mock treatment -0.098 0.424 0.38 0.131 0.664 0.63 -0.025 0.443434169278997 0.437991492972481 0.8348 0.9751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A15 compound treatment -0.933 -0.411 -0.36 -0.57 -0.037 -0.04 -0.508 -0.039565830721003 -0.0390802028097327 -0.2524 -0.6883 3071000 BCB03_000652 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)CCc3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A16 compound treatment -0.615 -0.0926 -0.08 -0.447 0.086 0.08 -0.091 0.377434169278997 0.372801571809694 0.2153 0.5516 3563121 BCB03_000653 COc1ccc(CN/2C(C=C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A17 compound treatment -0.901 -0.379 -0.33 -0.593 -0.06 -0.06 -0.512 -0.043565830721003 -0.0430311071226289 -0.251 -0.7336 3188676 BCB03_000654 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A18 compound treatment -1.206 -0.684 -0.6 -0.709 -0.176 -0.17 -1.288 -0.819565830721003 -0.809506543824487 -0.9131 -0.8916 3563123 BCB03_000655 COc1ccc(CN2CCc3ccccc3C2C=C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A19 compound treatment -0.797 -0.275 -0.24 -0.416 0.117 0.11 -0.385 0.083434169278997 0.0824101048118247 -0.0282 -0.1008 3188677 BCB03_000656 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A20 compound treatment 0.037 0.559 0.49 -0.288 0.245 0.23 -0.13 0.338434169278997 0.334280254758956 0.6133 0.9569 3563124 BCB03_000657 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C3CC3)c4ccccc4C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A21 compound treatment -0.847 -0.325 -0.29 -0.88 -0.347 -0.33 -0.333 0.135434169278997 0.133771860879475 -0.2793 -0.6102 3188788 BCB03_000658 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A22 compound treatment -0.233 0.289 0.26 -0.298 0.235 0.22 -0.13 0.338434169278997 0.334280254758956 0.47 0.9857 3563125 BCB03_000659 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C4CC4)c5ccccc25 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A23 compound treatment -0.431 0.0914 0.08 -0.522 0.011 0.01 -0.432 0.036434169278997 0.0359869791352947 0.0735 0.8251 3071005 BCB03_000660 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 A24 compound treatment 0.448 0.97 0.86 0.19 0.723 0.69 0.081 0.549434169278997 0.542690457264229 1.2064 0.9833 3563121 BCB03_000661 COc1ccc(CN/2C(C=C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B01 compound treatment -1.734 -1.21 -1.07 -1.873 -1.34 -1.28 -1.6 -1.131565830721 -1.11767708023039 -2.0007 -0.9971 3216005 BCB03_000662 CN1C(=O)[C@@H]2C[C@]/3(C)OC[C@H]([C@@H]2C1=O)\C3=C/c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B02 compound treatment -0.045 0.477 0.42 -0.032 0.501 0.48 0.211 0.679434169278997 0.671094847433355 0.9067 0.9798 3614372 BCB03_000663 CCCNc1ncnc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B03 compound treatment -0.687 -0.165 -0.15 -0.266 0.267 0.25 -0.077 0.391434169278997 0.38662973690483 0.2861 0.5897 3216013 BCB03_000664 CN1C(=O)[C@@H]2C[C@]/3(COc4ccccc4)OC[C@H]([C@@H]2C1=O)\C3=C/c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B04 compound treatment -0.216 0.306 0.27 0.013 0.546 0.52 -0.101 0.367434169278997 0.362924311027453 0.6663 0.966 3614373 BCB03_000665 CC(C)(C)OC(=O)NCCOCCOCCNc1ncnc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B05 compound treatment -0.421 0.101 0.09 -0.236 0.297 0.28 0.12 0.588434169278997 0.581211774314967 0.5507 0.8438 3614374 BCB03_000666 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5cccc(COC(=O)NCc6cccc(Cl)c6)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B06 compound treatment -1.086 -0.564 -0.5 -0.924 -0.391 -0.37 -0.55 -0.081565830721003 -0.0805646980951426 -0.5492 -0.8756 3614376 BCB03_000667 CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B07 compound treatment -1.2 -0.678 -0.6 -0.767 -0.234 -0.22 -0.644 -0.175565830721003 -0.173410949448203 -0.5746 -0.8677 3614378 BCB03_000668 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5cccc(COC(=O)NCC#C)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B08 compound treatment 0.298 0.82 0.73 0.092 0.625 0.6 -0.077 0.391434169278997 0.38662973690483 0.9858 0.9712 3614380 BCB03_000669 Oc1ccc2ncnc(NCc3ccccc3)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B09 compound treatment 0.298 0.82 0.73 -0.616 -0.083 -0.08 -0.61 -0.141565830721003 -0.139828262788585 0.2924 0.3936 3614381 BCB03_000670 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)c8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B10 compound treatment -1.365 -0.843 -0.74 -1.459 -0.926 -0.88 -1.627 -1.158565830721 -1.14434568434244 -1.6 -0.9843 3614383 BCB03_000671 ONC(=O)/C=C/c1ccc(OCCc2cccs2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B11 compound treatment 0.0 0.522 0.46 -0.161 0.372 0.35 -0.556 -0.087565830721003 -0.0864910545644869 0.4214 0.7159 3614385 BCB03_000672 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)c8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B12 compound treatment -1.866 -1.34 -1.19 -2.089 -1.56 -1.48 -2.483 -2.014565830721 -1.98983920730222 -2.6904 -0.978 3614386 BCB03_000673 ONC(=O)/C=C/c1ccc(OCc2ccc-3c(Cc4ccccc43)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B13 mock treatment -0.273 0.249 0.22 -0.643 -0.11 -0.1 -0.467 0.00143416927899698 0.00141656639745309 0.0677 0.2772 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B14 mock treatment -0.139 0.383 0.34 -0.074 0.459 0.44 -0.181 0.287434169278997 0.28390622476953 0.6121 0.9843 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B15 compound treatment -0.478 0.0444 0.04 -0.369 0.164 0.16 -0.658 -0.189565830721003 -0.187239114543339 0.0048 0.0195 3614388 BCB03_000674 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@@H](CO)NC(=O)N[C@H](Cc7ccccc7)c8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B16 compound treatment -0.829 -0.307 -0.27 -0.785 -0.252 -0.24 -0.727 -0.258565830721003 -0.255392213940798 -0.4425 -0.9988 3614389 BCB03_000675 ONC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B17 compound treatment 0.171 0.693 0.61 -0.458 0.075 0.07 -0.444 0.024434169278997 0.0241342661966061 0.4092 0.6624 3614391 BCB03_000676 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@@H](CO)NC(=O)N[C@@H](Cc7ccccc7)c8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B18 compound treatment -1.549 -1.03 -0.91 -1.523 -0.99 -0.94 -1.353 -0.884565830721003 -0.87370873890905 -1.5729 -0.9995 3614392 BCB03_000677 ONC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B19 compound treatment -0.561 -0.0386 -0.03 -0.419 0.114 0.11 -0.58 -0.111565830721003 -0.110196480441864 -0.0206 -0.1298 3556401 BCB03_000678 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B20 compound treatment -1.196 -0.674 -0.6 -1.121 -0.588 -0.56 -0.396 0.072434169278997 0.0715451179513602 -0.6259 -0.7627 3614394 BCB03_000679 Nc1cccc(COc2ccc(/C=C/C(=O)NO)cc2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B21 compound treatment -0.429 0.0934 0.08 -0.376 0.157 0.15 0.0 0.468434169278997 0.462684644928082 0.4012 0.8134 3556405 BCB03_000680 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B22 compound treatment -1.582 -1.06 -0.94 -1.622 -1.09 -1.04 -1.523 -1.054565830721 -1.04162217220714 -1.7412 -0.9988 3614396 BCB03_000681 ONC(=O)/C=C/c1ccc(OCCCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B23 compound treatment -0.207 0.315 0.28 -0.139 0.394 0.38 -0.242 0.226434169278997 0.223654933997863 0.5069 0.9778 3556409 BCB03_000682 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 B24 compound treatment -1.254 -0.732 -0.65 -1.461 -0.928 -0.88 -1.594 -1.125565830721 -1.11175072376104 -1.5257 -0.9776 3614398 BCB03_000683 ONC(=O)/C=C/c1ccc(OCCCCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C01 compound treatment -0.747 -0.225 -0.2 -0.713 -0.18 -0.17 0.222 0.690434169278997 0.68195983429382 0.1801 0.2465 3188790 BCB03_000684 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C02 compound treatment -0.239 0.283 0.25 -0.575 -0.042 -0.04 -0.052 0.416434169278997 0.411322888860431 0.3591 0.743 3563126 BCB03_000685 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C)C=C(C)C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C03 compound treatment -0.786 -0.264 -0.23 -0.639 -0.106 -0.1 -0.646 -0.177565830721003 -0.175386401604651 -0.2941 -0.9529 3188791 BCB03_000686 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C04 compound treatment -0.643 -0.121 -0.11 -0.39 0.143 0.14 -0.574 -0.105565830721003 -0.10427012397252 -0.0431 -0.2132 3563127 BCB03_000687 COc1ccc(CN/2C(C)C=C(C)C\C2=N\P(=O)(Oc3ccccc3)Oc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C05 compound treatment -0.66 -0.138 -0.12 -0.333 0.2 0.19 -0.204 0.264434169278997 0.261188524970377 0.1906 0.5518 3071437 BCB03_000688 OB1OC(CCc2ccccc2)CC=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C06 compound treatment 0.242 0.764 0.68 0.125 0.658 0.63 0.071 0.539434169278997 0.532813196481989 1.0598 0.9953 3563129 BCB03_000689 COc1ccc(CN2C(C)C3C4C(C2C=C3C)C(=O)N(C)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C07 compound treatment 0.578 1.1 0.97 1.222 1.76 1.51 0.329 0.797434169278997 0.787646524663792 1.8891 0.9626 3071483 BCB03_000690 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C08 compound treatment -0.103 0.419 0.37 -0.613 -0.08 -0.08 0.029 0.497434169278997 0.491328701196579 0.4538 0.7316 3563130 BCB03_000691 COc1ccc(CN2CCC(=CC2C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C09 compound treatment -0.483 0.0394 0.03 -0.73 -0.197 -0.19 -0.468 4.34169278996976E-4 4.28840319229044E-4 -0.0879 -0.4608 3071486 BCB03_000692 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C10 compound treatment -0.514 0.00845 0.01 -0.449 0.084 0.08 -0.352 0.116434169278997 0.115005065393218 0.1169 0.8333 3563131 BCB03_000693 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C=C)C=C(C)C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C11 mock treatment 0.148 0.67 0.59 -0.171 0.362 0.34 -0.041 0.427434169278997 0.422187875720896 0.7851 0.9749 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C12 mock treatment 0.034 0.556 0.49 0.017 0.55 0.52 -0.045 0.423434169278997 0.418236971408 0.828 0.9957 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C13 compound treatment -0.481 0.0414 0.04 -0.641 -0.108 -0.1 -0.646 -0.177565830721003 -0.175386401604651 -0.1395 -0.6752 3188011 BCB03_000694 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C14 compound treatment -1.067 -0.545 -0.48 0.103 0.636 0.61 -0.178 0.290434169278997 0.286869403004202 0.2375 0.2878 3563132 BCB03_000695 COc1ccc(CN/2C(C=C)C=C(C)C\C2=N\P(=O)(Oc3ccccc3)Oc4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C15 mock treatment -0.247 0.275 0.24 0.024 0.557 0.53 -0.067 0.401434169278997 0.396506997687071 0.6759 0.9577 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C16 mock treatment 0.433 0.955 0.84 -0.114 0.419 0.4 -0.062 0.406434169278997 0.401445628078191 0.9499 0.9342 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C17 compound treatment -0.618 -0.0956 -0.08 -0.06 0.473 0.45 -0.075 0.393434169278997 0.388605189061278 0.4358 0.725 3071579 BCB03_000696 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C18 compound treatment -0.309 0.213 0.19 -0.212 0.321 0.31 -0.232 0.236434169278997 0.233532194780103 0.4204 0.9808 3563134 BCB03_000697 COc1ccc(CN2C(C=C)C3C4C(C2C=C3C)C(=O)N(C)C4=O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C19 compound treatment -0.324 0.198 0.18 -0.479 0.054 0.05 -0.455 0.013434169278997 0.0132692793361416 0.1387 0.7565 3070932 BCB03_000698 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C20 compound treatment -0.124 0.398 0.35 -0.492 0.041 0.04 0.182 0.650434169278997 0.642450791164858 0.5969 0.8135 3563135 BCB03_000699 COc1ccc(CN2CCC(=CC2C=C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C21 compound treatment -0.533 -0.0106 -0.01 -0.414 0.119 0.11 -0.194 0.274434169278997 0.271065785752617 0.2166 0.7367 3188522 BCB03_000700 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C22 compound treatment 0.494 1.02 0.9 1.216 1.75 1.51 0.36 0.828434169278997 0.818266033088738 1.8632 0.9611 1025568 BCB03_000701 COc1cc2CCN(C)C(C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C23 compound treatment -0.076 0.446 0.39 0.132 0.665 0.63 -0.137 0.331434169278997 0.327366172211388 0.7827 0.9602 3070934 BCB03_000702 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 C24 compound treatment -0.258 0.264 0.23 0.933 1.47 1.4 0.1 0.568434169278997 0.561457252750486 1.2655 0.8307 3563136 BCB03_000703 COc1cc2CCN(C)C(C=C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D01 compound treatment 0.674 1.2 1.06 -0.631 -0.098 -0.09 0.077 0.545434169278997 0.538739552951333 0.8679 0.7289 3556407 BCB03_000704 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D02 compound treatment -0.917 -0.395 -0.35 -1.45 -0.917 -0.87 -1.1 -0.631565830721003 -0.623814041118367 -1.0659 -0.9444 3614403 BCB03_000705 ONC(=O)/C=C/c1ccc(OCCn2c3ccccc3c4ccccc24)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D03 compound treatment -0.653 -0.131 -0.12 -0.838 -0.305 -0.29 -0.904 -0.435565830721003 -0.430219729786454 -0.4828 -0.9078 3556412 BCB03_000706 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D04 compound treatment 1.212 1.73 1.39 0.0 0.533 0.51 -0.134 0.334434169278997 0.33032935044606 1.2877 0.8481 3614405 BCB03_000707 Cc1cccc(Cl)c1NC(=O)C2=CC=C(Cl)C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D05 compound treatment 0.395 0.917 0.81 -0.011 0.522 0.5 0.192 0.660434169278997 0.652328051947098 1.1321 0.9813 3614406 BCB03_000708 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)C(=O)NCc8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D06 compound treatment -0.121 0.401 0.35 -0.301 0.232 0.22 -0.531 -0.062565830721003 -0.0617979026088857 0.2969 0.7023 3614408 BCB03_000709 COc1ccc(CN(C(=O)C2=CC=C(Cl)C2)c3c(C)cccc3Cl)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D07 compound treatment 0.014 0.536 0.47 -0.337 0.196 0.19 -0.268 0.200434169278997 0.197974055964038 0.4959 0.907 3614409 BCB03_000710 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)C(=O)NCc8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D08 compound treatment -0.228 0.294 0.26 -0.395 0.138 0.13 2.06 2.528434169279 1.66421155964787 1.1871 0.7026 3614410 BCB03_000711 COc1ccc(CN(C(=O)C2=CC=C(C2)Nc3cc(Cl)nc(C)n3)c4c(C)cccc4Cl)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D09 compound treatment 0.02 0.542 0.48 0.897 1.43 1.36 -0.191 0.277434169278997 0.274028963987289 1.2216 0.831 3614411 BCB03_000712 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)C(=O)NCc8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D10 compound treatment -0.32 0.202 0.18 -0.239 0.294 0.28 0.506 0.974434169278997 0.962474040509448 0.8208 0.806 3614412 BCB03_000713 Cc1cccc(Cl)c1NC(=O)C2=CC=C(C2)Nc3cc(Cl)nc(C)n3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D11 mock treatment 0.22 0.742 0.66 0.029 0.562 0.54 -0.371 0.097434169278997 0.0962382699069614 0.7437 0.8723 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D12 mock treatment 0.103 0.625 0.55 0.183 0.716 0.68 -0.102 0.366434169278997 0.361936584949229 0.922 0.9708 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D13 compound treatment 1.0 1.52 1.35 -0.173 0.36 0.34 1.162 1.630434169279 1.49456218136903 1.838 0.9008 3614413 BCB03_000714 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)C(=O)NCc8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D14 compound treatment -0.743 -0.221 -0.19 -0.755 -0.222 -0.21 -0.881 -0.412565830721003 -0.407502029987301 -0.4699 -0.9421 3614414 BCB03_000715 Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(nc(C)n3)N4CCN(CCO)CC4)s2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D15 mock treatment -0.225 0.297 0.26 -0.151 0.382 0.36 -0.369 0.099434169278997 0.0982137220634094 0.4187 0.9109 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D16 mock treatment -0.278 0.244 0.22 0.269 0.802 0.76 -0.235 0.233434169278997 0.230569016545431 0.699 0.8454 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D17 compound treatment -0.032 0.49 0.43 -0.916 -0.383 -0.36 -0.054 0.414434169278997 0.409347436703983 0.276 0.3949 3556423 BCB03_000716 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D18 compound treatment -0.933 -0.411 -0.36 -0.416 0.117 0.11 -0.627 -0.158565830721003 -0.156619606118394 -0.2356 -0.5736 3614415 BCB03_000717 COC(=O)C1(CCCC1)C2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)CCO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D19 compound treatment -0.12 0.402 0.36 0.297 0.83 0.79 -0.01 0.458434169278997 0.452807384145841 0.9234 0.9439 3556419 BCB03_000718 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D20 compound treatment -0.57 -0.0476 -0.04 -0.807 -0.274 -0.26 -0.326 0.142434169278997 0.140685943427043 -0.0937 -0.313 3614418 BCB03_000719 Cn1c(=O)n2[C@H]3[C@@H]4[C@H](CCN=[N+]=[N-])OC(=O)[C@H](Cc5ccccc5)N4CC3=C[C@@H](C6CC6)n2c1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D21 compound treatment 0.034 0.556 0.49 -0.28 0.253 0.24 -0.063 0.405434169278997 0.400457901999967 0.6544 0.9644 3614420 BCB03_000720 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D22 compound treatment 0.038 0.56 0.5 -0.23 0.303 0.29 0.037 0.505434169278997 0.499230509822371 0.741 0.9746 3614421 BCB03_000721 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N3CC4=CCCC=C[C@H]4[C@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D23 compound treatment -0.52 0.00245 0.0 -0.047 0.486 0.46 0.587 1.055434169279 1.0424798528456 0.8705 0.7631 3614424 BCB03_000722 COC(=O)c1cn(CC(=O)N2CCC3(CC2)N(CNC3=O)c4ccccc4)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 D24 compound treatment -0.398 0.124 0.11 -0.106 0.427 0.41 -0.653 -0.184565830721003 -0.182300484152219 0.1932 0.4206 3614425 BCB03_000723 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E01 mock treatment -0.084 0.438 0.39 0.027 0.56 0.53 -0.064 0.404434169278997 0.399470175921743 0.7625 0.9889 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E02 mock treatment -0.071 0.451 0.4 0.381 0.914 0.87 0.273 0.741434169278997 0.732333864283246 1.156 0.9587 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E03 compound treatment -1.403 -0.881 -0.78 -0.831 -0.298 -0.28 -0.833 -0.364565830721003 -0.360091178232547 -0.8212 -0.909 3070935 BCB03_000724 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E04 compound treatment 2.41 2.93 1.56 2.319 2.85 1.68 0.518 0.986434169278997 0.974326753448137 2.4301 0.9769 3563137 BCB03_000725 COc1cc2CCN(C)C(C3CC3)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E05 compound treatment -0.948 -0.426 -0.38 -1.0 -0.467 -0.44 -0.581 -0.112565830721003 -0.111184206520088 -0.5382 -0.9075 3070936 BCB03_000726 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E06 compound treatment 0.531 1.05 0.93 0.753 1.29 1.23 0.843 1.311434169279 1.29533772887095 1.9929 0.9907 3563138 BCB03_000727 COCC#CC1N(C)CCc2cc(OC)c(OC)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E07 compound treatment -0.873 -0.351 -0.31 -0.584 -0.051 -0.05 -0.816 -0.347565830721003 -0.343299834902738 -0.4052 -0.8712 3070944 BCB03_000728 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E08 compound treatment -0.351 0.171 0.15 -0.339 0.194 0.18 -0.381 0.087434169278997 0.0863610091247209 0.2441 0.9604 3562035 BCB03_000729 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E09 mock treatment 0.122 0.644 0.57 -0.305 0.228 0.22 -0.167 0.301434169278997 0.297734389864666 0.6263 0.9229 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E10 mock treatment -0.227 0.295 0.26 0.105 0.638 0.61 -0.02 0.448434169278997 0.442930123363601 0.7575 0.9514 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E11 compound treatment -0.258 0.264 0.23 -0.049 0.484 0.46 -0.177 0.291434169278997 0.287857129082426 0.5674 0.9589 3188539 BCB03_000730 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E12 compound treatment -0.232 0.29 0.26 -0.348 0.185 0.18 -0.548 -0.079565830721003 -0.0785892459386945 0.2047 0.6371 3563139 BCB03_000731 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E13 compound treatment -0.59 -0.0676 -0.06 -0.507 0.026 0.02 0.0 0.468434169278997 0.462684644928082 0.247 0.5286 3188540 BCB03_000732 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E14 compound treatment 2.544 3.07 1.57 2.367 2.9 1.68 2.227 2.695434169279 1.68673606075875 2.8516 0.9995 3563140 BCB03_000733 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C=C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E15 compound treatment -2.188 -1.67 -1.47 -1.307 -0.774 -0.74 -1.029 -0.560565830721003 -0.55368548956446 -1.5955 -0.9183 3188541 BCB03_000734 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E16 compound treatment 0.653 1.18 1.04 0.622 1.16 1.1 0.706 1.174434169279 1.16001925615426 1.905 0.999 3563141 BCB03_000735 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C4CC4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E17 mock treatment -0.372 0.15 0.13 -0.473 0.06 0.06 0.227 0.695434169278997 0.68689846468494 0.5064 0.7214 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E18 mock treatment -0.359 0.163 0.14 -0.351 0.182 0.17 -0.283 0.185434169278997 0.183158164790677 0.2893 0.9952 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E19 compound treatment 0.231 0.753 0.67 -0.247 0.286 0.27 0.128 0.596434169278997 0.589113582940759 0.882 0.9484 3070947 BCB03_000736 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E20 compound treatment 0.053 0.575 0.51 -0.578 -0.045 -0.04 -0.385 0.083434169278997 0.0824101048118247 0.3166 0.6122 3563142 BCB03_000737 COCC#CC1N(Cc2ccc(OC)cc2)CCc3cc(OC)c(OC)cc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E21 compound treatment 0.148 0.67 0.59 -0.286 0.247 0.24 -0.28 0.188434169278997 0.186121343025349 0.5856 0.8814 3188544 BCB03_000738 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E22 compound treatment 0.437 0.959 0.85 0.431 0.964 0.92 0.414 0.882434169278997 0.871603241312836 1.5232 0.9995 3563143 BCB03_000739 COc1cc2CCN(C)C(C)(C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E23 compound treatment 0.034 0.556 0.49 -0.121 0.412 0.39 -0.21 0.258434169278997 0.255262168501032 0.658 0.9689 3188657 BCB03_000740 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5cccc(c5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 E24 compound treatment 0.333 0.855 0.76 0.357 0.89 0.85 0.438 0.906434169278997 0.895308667190213 1.4431 0.9976 3563144 BCB03_000741 COc1cc2CCN(C)C(C)(C=C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F01 mock treatment -0.088 0.434 0.38 -0.255 0.278 0.26 -0.167 0.301434169278997 0.297734389864666 0.5466 0.9875 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F02 mock treatment -0.608 -0.0856 -0.08 -0.281 0.252 0.24 -0.289 0.179434169278997 0.177231808321333 0.1973 0.6408 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F03 compound treatment -0.291 0.231 0.2 -0.156 0.377 0.36 -0.095 0.373434169278997 0.368850667496798 0.5385 0.9719 3614432 BCB03_000742 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)Nc3ccccc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F04 compound treatment -0.667 -0.145 -0.13 -0.246 0.287 0.27 -0.385 0.083434169278997 0.0824101048118247 0.1317 0.4208 3614434 BCB03_000743 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)CCN=[N+]=[N-] 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F05 compound treatment 0.197 0.719 0.64 -0.208 0.325 0.31 -0.925 -0.456565830721003 -0.450961977429159 0.2856 0.3405 3614437 BCB03_000744 COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)c3ccccc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F06 compound treatment -0.622 -0.0996 -0.09 -0.565 -0.032 -0.03 -0.371 0.097434169278997 0.0962382699069614 -0.0128 -0.0958 3614440 BCB03_000745 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(CC#C)[C@@H]1/C=C/C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F07 compound treatment 0.224 0.746 0.66 -0.403 0.13 0.12 -0.806 -0.337565830721003 -0.333422574120498 0.26 0.3469 3614442 BCB03_000746 COC(=O)c1cn(CCCNC(=S)Nc2ccc(cc2)[N+](=O)[O-])nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F08 compound treatment 2.185 2.71 1.54 1.079 1.61 1.48 1.141 1.609434169279 1.48916468112268 2.6006 0.9999 3614443 BCB03_000747 C=C/C=C/[C@H]1[C@@H]2[C@H](CCN=[N+]=[N-])OC(=O)[C@H](Cc3ccccc3)N2CC1=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F09 mock treatment -0.095 0.427 0.38 -0.169 0.364 0.35 0.068 0.536434169278997 0.529850018247317 0.7243 0.9822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F10 mock treatment -0.109 0.413 0.37 -0.254 0.279 0.27 -0.324 0.144434169278997 0.142661395583491 0.4469 0.9429 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F11 compound treatment -0.383 0.139 0.12 -0.339 0.194 0.18 -0.371 0.097434169278997 0.0962382699069614 0.2335 0.9642 3614446 BCB03_000748 COC(=O)c1cn(CCCNC(=O)Nc2ccccc2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F12 compound treatment -0.448 0.0744 0.07 -0.544 -0.011 -0.01 -0.309 0.159434169278997 0.157477286756852 0.1229 0.7187 3614447 BCB03_000749 COC(=O)[C@H](Cc1ccccc1)N2C[C@](C)(OC(C)C)O[C@@H](CCN=[N+]=[N-])[C@H]2/C=C/C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F13 compound treatment 0.0 0.522 0.46 -0.397 0.136 0.13 -0.224 0.244434169278997 0.241434003405896 0.4809 0.8954 3614451 BCB03_000750 COC(=O)c1cn(CCNC(=O)Nc2ccccc2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F14 compound treatment -0.187 0.335 0.3 -0.382 0.151 0.14 -0.372 0.096434169278997 0.0952505438287373 0.3093 0.9014 3614452 BCB03_000751 COC(=O)C1(CCCC1)C2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)CCO)c(=O)n(C)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F15 compound treatment 0.289 0.811 0.72 0.274 0.807 0.77 -0.123 0.345434169278997 0.341194337306524 1.0551 0.9544 3614455 BCB03_000752 COC(=O)c1cn(CCCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c3ccc(C)cc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F16 compound treatment -0.506 0.0164 0.01 -0.266 0.267 0.25 -0.304 0.164434169278997 0.162415917147972 0.249 0.8242 3614458 BCB03_000753 OCC[C@@H]1OC(=O)C2(CCCC2)N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@H]13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F17 mock treatment -0.062 0.46 0.41 -0.165 0.368 0.35 -0.113 0.355434169278997 0.351071598088765 0.6402 0.9974 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F18 mock treatment -0.169 0.353 0.31 -0.186 0.347 0.33 -0.257 0.211434169278997 0.208839042824502 0.4919 0.9826 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F19 compound treatment 0.222 0.744 0.66 -0.069 0.464 0.44 0.029 0.497434169278997 0.491328701196579 0.9189 0.9851 3614462 BCB03_000754 COC(=O)c1cn(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c3ccc(C)cc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F20 compound treatment 2.111 2.63 1.53 0.955 1.49 1.42 1.074 1.542434169279 1.47131671715608 2.5497 0.9995 3563105 BCB03_000755 COC(=O)C1=CN(C)C(C=C)c2ccccc2C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F21 compound treatment 0.078 0.6 0.53 -0.067 0.466 0.44 0.038 0.506434169278997 0.500218235900595 0.8516 0.9973 3614464 BCB03_000756 COC(=O)c1cn(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F22 compound treatment -0.034 0.488 0.43 -0.116 0.417 0.4 0.409 0.877434169278997 0.866664610921716 0.9791 0.9354 3563108 BCB03_000757 COC(=O)C1=CN(C)C(C2CC2)c3ccccc3C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F23 compound treatment -0.133 0.389 0.34 -0.203 0.33 0.31 -0.25 0.218434169278997 0.215753125372071 0.5049 0.9827 3614467 BCB03_000758 COC(=O)c1cn(C[C@@H]2CCCN2S(=O)(=O)c3ccc(C)cc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 F24 compound treatment -0.246 0.276 0.24 -0.42 0.113 0.11 -0.5 -0.031565830721003 -0.0311783941839403 0.1853 0.6891 3188926 BCB03_000759 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(nc5)C(F)(F)F)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G01 compound treatment -0.128 0.394 0.35 -0.422 0.111 0.11 -0.312 0.156434169278997 0.15451410852218 0.3516 0.8883 3188658 BCB03_000760 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G02 compound treatment 0.613 1.14 1.0 0.086 0.619 0.59 0.25 0.718434169278997 0.709616164484093 1.3298 0.9753 3563145 BCB03_000761 COCC#CC1(C)N(C)CCc2cc(OC)c(OC)cc21 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G03 mock treatment 0.025 0.547 0.48 -0.19 0.343 0.33 -0.2 0.268434169278997 0.265139429283273 0.6212 0.9685 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G04 mock treatment 0.391 0.913 0.81 0.123 0.656 0.62 0.045 0.513434169278997 0.507132318448164 1.1199 0.9822 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G05 compound treatment -0.052 0.47 0.42 -0.057 0.476 0.45 0.102 0.570434169278997 0.563432704906934 0.8273 0.9915 3188659 BCB03_000762 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4cccc(NC(=O)OCC5c6ccccc6-c7ccccc57)c4)c8ccc(I)cc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G06 compound treatment -0.385 0.137 0.12 -0.267 0.266 0.25 -0.179 0.289434169278997 0.285881676925978 0.3815 0.9517 3563146 BCB03_000763 COc1ccc(C[N+]2=C(C)c3cc(OC)c(OC)cc3CC2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G07 compound treatment 0.692 1.21 1.07 0.193 0.726 0.69 0.282 0.750434169278997 0.741223398987262 1.4472 0.98 3188672 BCB03_000764 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(OC(=O)OC(C)(C)C)cc4)c5ccc(I)cc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G08 compound treatment -0.175 0.347 0.31 -0.298 0.235 0.22 -0.022 0.446434169278997 0.440954671207153 0.5612 0.964 3563147 BCB03_000765 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G09 compound treatment 0.306 0.828 0.73 1.424 1.96 1.55 1.116 1.584434169279 1.48261896928722 2.1744 0.959 3188673 BCB03_000766 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G10 compound treatment -0.528 -0.00555 0.0 -0.419 0.114 0.11 -0.514 -0.045565830721003 -0.045006559279077 0.0339 0.2881 3563148 BCB03_000767 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C=C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G11 compound treatment -0.235 0.287 0.25 0.075 0.608 0.58 -0.278 0.190434169278997 0.188096795181797 0.5898 0.8937 3188674 BCB03_000768 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G12 compound treatment -0.222 0.3 0.27 0.115 0.648 0.62 0.194 0.662434169278997 0.654303504103546 0.8876 0.9462 3563149 BCB03_000769 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C4CC4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G13 compound treatment -0.721 -0.199 -0.18 -0.814 -0.281 -0.27 -0.517 -0.048565830721003 -0.0479697375137491 -0.2836 -0.8762 3188675 BCB03_000770 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G14 compound treatment 0.513 1.04 0.92 -0.011 0.522 0.5 -0.185 0.283434169278997 0.279955320456634 0.9773 0.9059 3563150 BCB03_000771 COCC#CC1(C)N(Cc2ccc(OC)cc2)CCc3cc(OC)c(OC)cc31 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G15 compound treatment -0.722 -0.2 -0.18 -0.621 -0.088 -0.08 -0.474 -0.00556583072100297 -0.00549751615011517 -0.1534 -0.7851 3071001 BCB03_000772 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G16 compound treatment 0.882 1.4 1.24 1.163 1.7 1.5 1.141 1.609434169279 1.48916468112268 2.442 0.9965 3563151 BCB03_000773 COc1cc2CC(C)N(C)C(C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G17 compound treatment -0.328 0.194 0.17 -0.022 0.511 0.49 0.25 0.718434169278997 0.709616164484093 0.79 0.9002 3071002 BCB03_000774 OCC1CC(=NO1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G18 compound treatment 0.849 1.37 1.21 0.726 1.26 1.2 0.476 0.944434169278997 0.932842258162727 1.9311 0.9934 3563152 BCB03_000775 COc1cc2CC(C)N(C)C(C=C)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G19 mock treatment -0.109 0.413 0.37 -0.06 0.473 0.45 -0.176 0.292434169278997 0.28884485516065 0.638 0.9843 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G20 mock treatment 0.071 0.593 0.52 -0.143 0.39 0.37 -0.223 0.245434169278997 0.24242172948412 0.6574 0.9568 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G21 compound treatment -0.141 0.381 0.34 0.222 0.755 0.72 0.3 0.768434169278997 0.759002468395295 1.0482 0.954 3071004 BCB03_000776 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G22 compound treatment 1.523 2.05 1.45 2.261 2.79 1.67 1.545 2.013434169279 1.57938567121478 2.7119 0.9983 3563153 BCB03_000777 COc1cc2CC(C)N(C)C(C3CC3)c2cc1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G23 compound treatment -0.891 -0.369 -0.33 -1.0 -0.467 -0.44 -0.795 -0.326565830721003 -0.322557587260033 -0.6312 -0.988 3414065 BCB03_000778 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 G24 compound treatment 0.963 1.49 1.31 0.703 1.24 1.18 0.817 1.285434169279 1.26965685083713 2.1711 0.999 3563154 BCB03_000779 COCC#CC1N(C)C(C)Cc2cc(OC)c(OC)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H01 compound treatment 1.074 1.6 1.36 0.654 1.19 1.13 0.824 1.292434169279 1.27657093338469 2.1769 0.9971 3614478 BCB03_000780 COC(=O)c1cn(CC(=O)N2CCN(C)CC2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H02 compound treatment -0.022 0.5 0.44 0.16 0.693 0.66 0.147 0.615434169278997 0.607880378427016 0.9876 0.987 3061928 BCB03_000781 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H03 mock treatment -0.3 0.222 0.2 -0.323 0.21 0.2 -0.303 0.165434169278997 0.163403643226196 0.3234 0.9961 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H04 mock treatment -0.204 0.318 0.28 0.188 0.721 0.69 -0.191 0.277434169278997 0.274028963987289 0.7173 0.9065 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H05 compound treatment -0.296 0.226 0.2 -0.12 0.413 0.39 -0.318 0.150434169278997 0.148587752052836 0.4286 0.92 3614479 BCB03_000782 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn2cc(nn2)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H06 compound treatment 0.08 0.602 0.53 0.646 1.18 1.12 -0.082 0.386434169278997 0.38169110651371 1.1764 0.9046 3614483 BCB03_000783 COCCOc1cc2ncnc(Nc3cccc(C#C)c3)c2cc1OCCOC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H07 compound treatment -0.415 0.107 0.09 0.171 0.704 0.67 -0.449 0.019434169278997 0.0191956358054859 0.4532 0.6687 3614485 BCB03_000784 COC(=O)[C@@H](NC(=O)Cn1cc(nn1)C(=O)OC)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H08 mock treatment -0.113 0.409 0.36 -0.552 -0.019 -0.02 -0.08 0.388434169278997 0.383666558670158 0.4201 0.7959 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H09 compound treatment -0.376 0.146 0.13 -0.463 0.07 0.07 -0.164 0.304434169278997 0.300697568099339 0.2869 0.8586 3614488 BCB03_000785 CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn3cc(nn3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H10 mock treatment -0.154 0.368 0.33 -0.357 0.176 0.17 -0.086 0.382434169278997 0.377740202200814 0.503 0.9558 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H11 compound treatment -0.692 -0.17 -0.15 -0.953 -0.42 -0.4 -0.186 0.282434169278997 0.27896759437841 -0.1565 -0.3066 3614492 BCB03_000786 COC(=O)c1cn(nn1)c2cccc(N)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H12 mock treatment -0.453 0.0694 0.06 -0.121 0.412 0.39 0.975 1.443434169279 1.42571757119652 1.0852 0.7332 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H13 compound treatment 0.313 0.835 0.74 -0.325 0.208 0.2 0.407 0.875434169278997 0.864689158765268 1.0401 0.901 3614494 BCB03_000787 COC(=O)c1cn(CC(=O)N2CCN(CC2)c3ccccc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H14 mock treatment 0.109 0.631 0.56 -0.378 0.155 0.15 0.274 0.742434169278997 0.73332159036147 0.831 0.8903 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H15 compound treatment -0.205 0.317 0.28 -0.272 0.261 0.25 0.133 0.601434169278997 0.59405221333188 0.6486 0.9233 3614495 BCB03_000788 COC(=O)c1cn(CC(=O)N2CCOCC2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H16 mock treatment -0.034 0.488 0.43 -0.068 0.465 0.44 -0.29 0.178434169278997 0.176244082243109 0.6069 0.9434 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H17 compound treatment 0.241 0.763 0.67 -0.288 0.245 0.23 -0.169 0.299434169278997 0.295758937708218 0.6952 0.8994 3614498 BCB03_000789 COC(=O)c1cn(CC(=O)Nc2ccc(OC)c(OC)c2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H18 mock treatment -0.544 -0.0216 -0.02 -0.54 -0.00695 -0.01 -0.119 0.349434169278997 0.34514524161942 0.1844 0.5335 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H19 mock treatment -0.564 -0.0416 -0.04 0.535 1.07 1.02 -0.321 0.147434169278997 0.145624573818164 0.6503 0.6323 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H20 mock treatment 1.181 1.7 1.39 0.874 1.41 1.34 0.444 0.912434169278997 0.901235023659557 2.0944 0.9841 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H21 compound treatment -0.417 0.105 0.09 -0.615 -0.082 -0.08 -0.478 -0.00956583072100298 -0.00944842046301135 0.0033 0.027 3614499 BCB03_000790 COC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H22 mock treatment -0.074 0.448 0.4 -0.395 0.138 0.13 -0.062 0.406434169278997 0.401445628078191 0.5366 0.9262 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H23 compound treatment 0.696 1.22 1.08 0.104 0.637 0.61 0.224 0.692434169278997 0.683935286450268 1.3672 0.9676 3614501 BCB03_000791 COC(=O)c1cn(CC(=O)Nc2nccs2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 H24 mock treatment -0.453 0.0694 0.06 -0.093 0.44 0.42 0.927 1.395434169279 1.37830671944177 1.0732 0.7443 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I01 compound treatment -1.343 -0.821 -0.73 -1.253 -0.72 -0.69 -1.257 -0.788565830721003 -0.778887035399542 -1.2645 -0.9986 3071008 BCB03_000792 CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3=C2CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)C1(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I02 compound treatment -0.078 0.444 0.39 -0.143 0.39 0.37 0.042 0.510434169278997 0.504169140213492 0.7325 0.9907 3563155 BCB03_000793 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I03 compound treatment -1.557 -1.03 -0.91 -1.061 -0.528 -0.5 -0.943 -0.474565830721003 -0.468741046837192 -1.0891 -0.9518 3188792 BCB03_000794 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I04 compound treatment 0.203 0.725 0.64 0.066 0.599 0.57 0.188 0.656434169278997 0.648377147634202 1.0741 0.9984 3563156 BCB03_000795 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I05 mock treatment -0.288 0.234 0.21 -0.505 0.028 0.03 -0.388 0.080434169278997 0.0794469265771526 0.181 0.8094 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I06 mock treatment -0.656 -0.134 -0.12 -0.297 0.236 0.22 -0.481 -0.012565830721003 -0.0124115986976835 0.0545 0.2143 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I07 compound treatment -0.467 0.0554 0.05 -0.303 0.23 0.22 -0.615 -0.146565830721003 -0.144766893179705 0.0712 0.2667 3188805 BCB03_000796 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I08 compound treatment -0.283 0.239 0.21 -0.235 0.298 0.28 0.524 0.992434169278997 0.980253109917481 0.8521 0.8175 3563157 BCB03_000797 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C=C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I09 compound treatment -0.615 -0.0926 -0.08 -0.597 -0.064 -0.06 -0.722 -0.253565830721003 -0.250453583549678 -0.227 -0.8395 3188806 BCB03_000798 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I10 compound treatment -0.203 0.319 0.28 0.162 0.695 0.66 -0.074 0.394434169278997 0.389592915139502 0.7703 0.9411 3563158 BCB03_000799 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C4CC4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I11 compound treatment -1.0 -0.478 -0.42 -0.611 -0.078 -0.07 -0.695 -0.226565830721003 -0.223784979437629 -0.4158 -0.8599 3188807 BCB03_000800 COc1ccc(cc1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I12 compound treatment -0.855 -0.333 -0.29 -0.598 -0.065 -0.06 -0.554 -0.085565830721003 -0.0845156024080388 -0.2543 -0.8147 3563159 BCB03_000801 COCC#CC1N(Cc2ccc(OC)cc2)C(C)Cc3cc(OC)c(OC)cc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I13 compound treatment -1.631 -1.11 -0.98 -1.117 -0.584 -0.56 -1.333 -0.864565830721003 -0.853954217344569 -1.3801 -0.976 3071124 BCB03_000802 COc1cccc(c1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I14 compound treatment -1.25 -0.728 -0.64 -1.246 -0.713 -0.68 -1.215 -0.746565830721003 -0.737402540114132 -1.1892 -0.9984 3614506 BCB03_000803 CCCCOc1ccc(/C=C/C(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I15 compound treatment -1.049 -0.527 -0.47 -0.899 -0.366 -0.35 -1.0 -0.531565830721003 -0.525041433295962 -0.7732 -0.9868 3188924 BCB03_000804 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(Br)cc5)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I16 compound treatment -1.113 -0.591 -0.52 -1.25 -0.717 -0.68 -1.064 -0.595565830721003 -0.588255902302301 -1.0354 -0.994 3614510 BCB03_000805 ONC(=O)/C=C/c1ccc(OC2CCCCC2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I17 compound treatment -1.175 -0.653 -0.58 -1.117 -0.584 -0.56 -0.618 -0.149565830721003 -0.147730071414378 -0.7396 -0.9075 3188925 BCB03_000806 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(N)cc5)C(C)(C)C4CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I18 compound treatment -1.548 -1.03 -0.91 -1.562 -1.03 -0.98 -1.469 -1.000565830721 -0.988284963983039 -1.66 -0.9993 3614513 BCB03_000807 COc1ccc(/C=C/C(=O)NO)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I19 compound treatment -1.25 -0.728 -0.64 -0.377 0.156 0.15 -0.944 -0.475565830721003 -0.469728772915416 -0.5567 -0.6871 3614517 BCB03_000808 COC(=O)[C@H](Cc1ccccc1)N(CC#C)O[C@@H](/C=C/[C@@H](O)Cc2ccccc2)C3CC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I20 compound treatment -0.41 0.112 0.1 -0.435 0.098 0.09 -0.256 0.212434169278997 0.209826768902726 0.2325 0.9289 3614521 BCB03_000809 ONC(=O)/C=C/c1ccc(O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I21 mock treatment -0.543 -0.0206 -0.02 -0.408 0.125 0.12 -0.377 0.091434169278997 0.0903119134376171 0.1104 0.7333 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I22 mock treatment 0.0 0.522 0.46 -0.189 0.344 0.33 0.157 0.625434169278997 0.617757639209257 0.8126 0.9695 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I23 compound treatment -0.868 -0.346 -0.31 -0.64 -0.107 -0.1 -0.441 0.027434169278997 0.0270974444312783 -0.2196 -0.6794 3614524 BCB03_000810 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 I24 compound treatment -0.74 -0.218 -0.19 -0.75 -0.217 -0.21 -0.969 -0.500565830721003 -0.494421924871017 -0.5158 -0.906 3614525 BCB03_000811 ONC(=O)/C=C/c1ccc(OCCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J01 compound treatment -0.056 0.466 0.41 0.829 1.36 1.3 -0.207 0.261434169278997 0.258225346735705 1.1363 0.82 3614528 BCB03_000812 COC(=O)c1cn(CC(=O)Nc2ccon2)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J02 mock treatment -0.152 0.37 0.33 0.767 1.3 1.24 -0.205 0.263434169278997 0.260200798892153 1.0544 0.8066 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J03 compound treatment -0.104 0.418 0.37 0.384 0.917 0.87 -0.163 0.305434169278997 0.301685294177563 0.8922 0.8962 3614530 BCB03_000813 COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)Nc3ccccc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J04 mock treatment -0.216 0.306 0.27 -0.19 0.343 0.33 0.027 0.495434169278997 0.489353249040131 0.6276 0.9688 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J05 mock treatment -0.435 0.0874 0.08 -0.265 0.268 0.26 -0.212 0.256434169278997 0.253286716344584 0.3383 0.9196 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J06 mock treatment -0.293 0.229 0.2 -0.028 0.505 0.48 -0.147 0.321434169278997 0.317488911429147 0.5782 0.9462 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J07 compound treatment 0.355 0.877 0.78 0.378 0.911 0.87 -0.133 0.335434169278997 0.331317076524284 1.1403 0.9421 3614532 BCB03_000814 O=C(Cn1cc(nn1)C2(CCCCC2)NC(=O)Nc3ccccc3)N4CCN(CC4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J08 mock treatment 1.107 1.63 1.37 0.812 1.35 1.28 0.513 0.981434169278997 0.969388123057016 2.0906 0.99 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J09 compound treatment -0.014 0.508 0.45 0.145 0.678 0.65 0.054 0.522434169278997 0.51602185315218 0.9304 0.9887 3614534 BCB03_000815 NC(=N)NCc1cn(CC(=O)N2CCN(CC2)c3ccccc3)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J10 mock treatment -0.286 0.236 0.21 -0.229 0.304 0.29 -0.233 0.235434169278997 0.232544468701879 0.4222 0.9905 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J11 compound treatment -0.179 0.343 0.3 0.0 0.533 0.51 -0.076 0.392434169278997 0.387617462983054 0.6923 0.9787 3614535 BCB03_000816 CC(=O)Nc1ccccc1c2cn(CC(=O)N3CCN(CC3)c4ccccc4)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J12 mock treatment -0.351 0.171 0.15 -0.346 0.187 0.18 -0.211 0.257434169278997 0.254274442422808 0.3372 0.9759 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J13 compound treatment -0.265 0.257 0.23 -0.237 0.296 0.28 -0.333 0.135434169278997 0.133771860879475 0.3715 0.9616 3614536 BCB03_000817 O=C(Cn1cc(nn1)C2(CCCCC2)NC(=O)Nc3ccccc3)N4CCOCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J14 mock treatment -0.115 0.407 0.36 -0.465 0.068 0.06 -0.146 0.322434169278997 0.318476637507371 0.4293 0.8848 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J15 compound treatment -0.333 0.189 0.17 0.427 0.96 0.91 0.723 1.191434169279 1.17681059948407 1.3042 0.8696 3614537 BCB03_000818 CC(=O)Nc1ccccc1c2cn(CC(=O)N3CCOCC3)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J16 mock treatment 0.068 0.59 0.52 0.115 0.648 0.62 -0.197 0.271434169278997 0.268102607517945 0.8126 0.954 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J17 compound treatment -0.385 0.137 0.12 -0.155 0.378 0.36 -0.549 -0.080565830721003 -0.0795769720169185 0.2321 0.5978 3556424 BCB03_000819 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J18 mock treatment -0.197 0.325 0.29 -0.236 0.297 0.28 -0.108 0.360434169278997 0.356010228479885 0.535 0.9942 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J19 compound treatment -0.695 -0.173 -0.15 -0.466 0.067 0.06 0.427 0.895434169278997 0.884443680329749 0.4594 0.5106 3614538 BCB03_000820 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn3cc(nn3)c4ccccc4N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J20 mock treatment 0.763 1.29 1.14 1.171 1.7 1.5 0.47 0.938434169278997 0.926915901693382 2.0577 0.9807 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J21 mock treatment -0.342 0.18 0.16 -0.203 0.33 0.31 -0.187 0.281434169278997 0.277979868300185 0.4341 0.9669 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J22 mock treatment -0.329 0.193 0.17 -0.191 0.342 0.33 0.065 0.533434169278997 0.526886840012645 0.5911 0.9197 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J23 compound treatment -0.434 0.0884 0.08 -0.576 -0.043 -0.04 -0.333 0.135434169278997 0.133771860879475 0.0988 0.6162 3614540 BCB03_000821 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCn3cc(nn3)c4ccccc4N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 J24 mock treatment -0.278 0.244 0.22 -0.299 0.234 0.22 -0.158 0.310434169278997 0.306623924568683 0.4305 0.9866 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K01 compound treatment -1.092 -0.57 -0.5 -1.679 -1.15 -1.09 -0.878 -0.409565830721003 -0.404538851752629 -1.1546 -0.9102 3614545 BCB03_000822 COC(=O)[C@H](Cc1ccccc1)N2CC3=CC(=O)[C@H](C4CC4)[C@H]3[C@@H]2[C@@H](O)Cc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K02 compound treatment -0.465 0.0574 0.05 -0.696 -0.163 -0.16 -0.6 -0.131565830721003 -0.129951002006345 -0.1353 -0.6484 3614548 BCB03_000823 COc1ccc(CCCOc2ccc(/C=C/C(=O)NO)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K03 compound treatment -0.59 -0.0676 -0.06 -0.385 0.148 0.14 -0.39 0.078434169278997 0.0774714744207045 0.0917 0.5341 3614553 BCB03_000824 O=C1C=C2CN3[C@H]([C@@H]2[C@H]1C4CC4)[C@H](Cc5ccccc5)OC(=O)[C@@H]3Cc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K04 compound treatment -1.351 -0.829 -0.73 -1.436 -0.903 -0.86 -1.787 -1.318565830721 -1.30238185685829 -1.6715 -0.9695 3614558 BCB03_000825 ONC(=O)/C=C/c1ccc(OCCc2ccccn2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K05 compound treatment 0.781 1.3 1.15 0.037 0.57 0.54 0.318 0.786434169278997 0.776781537803328 1.4273 0.9566 3614560 BCB03_000826 COC(=O)C1(CCCC1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K06 compound treatment -0.68 -0.158 -0.14 -0.625 -0.092 -0.09 -0.965 -0.496565830721003 -0.490471020558121 -0.4142 -0.8006 3614562 BCB03_000827 ONC(=O)/C=C/c1ccc(OCCNCc2ccccc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K07 mock treatment 0.129 0.651 0.58 -0.132 0.401 0.38 -0.238 0.230434169278997 0.227605838310759 0.6845 0.9407 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K08 mock treatment -0.574 -0.0516 -0.05 0.5 1.03 0.98 -0.295 0.173434169278997 0.171305451851989 0.6408 0.6408 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K09 compound treatment -0.396 0.126 0.11 -0.403 0.13 0.12 -0.325 0.143434169278997 0.141673669505267 0.2179 0.9953 3614565 BCB03_000828 C=C/C=C/[C@H]1[C@@H]2[C@H](Cc3ccccc3)OC(=O)C4(CCCC4)N2CC1=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K10 compound treatment -0.73 -0.208 -0.18 -1.037 -0.504 -0.48 -0.784 -0.315565830721003 -0.311692600399569 -0.5631 -0.9368 1065487 BCB03_000829 ONC(=O)CCCc1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K11 compound treatment -0.126 0.396 0.35 0.889 1.42 1.35 0.432 0.900434169278997 0.889382310720869 1.498 0.9035 3614570 BCB03_000830 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3C51CCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K12 compound treatment 0.414 0.936 0.83 -0.369 0.164 0.16 -0.395 0.073434169278997 0.0725328440295843 0.6101 0.7215 3614573 BCB03_000831 CCCC(CCC)C(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K13 compound treatment -0.313 0.209 0.19 -0.952 -0.419 -0.4 -0.71 -0.241565830721003 -0.23860087061099 -0.2613 -0.522 3614575 BCB03_000832 COC(=O)C1(CCCC1)N2CC3=C[C@@H]([C@@H](O)Cc4ccccc4)n5n([C@@H]3[C@H](O2)C6CC6)c(=O)n(C)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K14 compound treatment 0.805 1.33 1.17 0.47 1.0 0.96 0.337 0.805434169278997 0.795548333289585 1.6886 0.9876 3614578 BCB03_000833 Oc1ccc2ncnc(NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K15 mock treatment 0.188 0.71 0.63 -0.242 0.291 0.28 0.013 0.481434169278997 0.475525083944994 0.7973 0.9546 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K16 mock treatment -0.255 0.267 0.24 -0.11 0.423 0.4 -0.213 0.255434169278997 0.25229899026636 0.5149 0.9696 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K17 compound treatment 0.016 0.538 0.48 -0.01 0.523 0.5 0.25 0.718434169278997 0.709616164484093 0.9722 0.9829 3614579 BCB03_000834 COC(=O)C1(CCCC1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K18 compound treatment 0.679 1.2 1.06 0.674 1.21 1.15 0.224 0.692434169278997 0.683935286450268 1.672 0.9788 3614582 BCB03_000835 CCCNc1ncnc2ccc(O)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K19 compound treatment -0.314 0.208 0.18 -0.829 -0.296 -0.28 -0.269 0.199434169278997 0.196986329885814 0.0574 0.147 3614584 BCB03_000836 COC(=O)C1(CCCC1)N2C[C@](C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K20 compound treatment 0.072 0.594 0.53 -0.485 0.048 0.05 -0.324 0.144434169278997 0.142661395583491 0.4122 0.7543 2065681 BCB03_000837 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K21 compound treatment -0.423 0.0994 0.09 -0.016 0.517 0.49 -0.027 0.441434169278997 0.436016040816033 0.5869 0.8843 3614590 BCB03_000838 COC(=O)C1(CCCC1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K22 compound treatment 0.608 1.13 1.0 1.092 1.63 1.48 0.541 1.009434169279 0.99704445324729 2.0087 0.9812 3216001 BCB03_000839 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K23 mock treatment 0.247 0.769 0.68 0.092 0.625 0.6 -0.205 0.263434169278997 0.260200798892153 0.8868 0.9426 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 K24 mock treatment -0.388 0.134 0.12 0.06 0.593 0.56 0.042 0.510434169278997 0.504169140213492 0.6859 0.8949 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L01 compound treatment -0.817 -0.295 -0.26 -1.062 -0.529 -0.5 -0.806 -0.337565830721003 -0.333422574120498 -0.6338 -0.9633 3614594 BCB03_000840 Nc1ccccc1c2cn(CC(=O)Nc3nccs3)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L02 mock treatment -0.781 -0.259 -0.23 -0.356 0.177 0.17 -0.766 -0.297565830721003 -0.293913530991536 -0.2043 -0.4998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L03 compound treatment -1.054 -0.532 -0.47 -1.151 -0.618 -0.59 -1.07 -0.601565830721003 -0.594182258771646 -0.9543 -0.9946 3614596 BCB03_000841 Nc1ccccc1c2cn(CC(=O)Nc3ccon3)nn2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L04 mock treatment -0.117 0.405 0.36 -0.354 0.179 0.17 0.026 0.494434169278997 0.488365522961907 0.5874 0.9333 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L05 compound treatment -0.418 0.104 0.09 1.7 2.23 1.6 -0.518 -0.049565830721003 -0.0489574635919732 0.947 0.5918 3556414 BCB03_000842 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L06 mock treatment -0.174 0.348 0.31 -0.372 0.161 0.15 -0.429 0.039434169278997 0.0389501573699668 0.2889 0.8342 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L07 mock treatment -0.552 -0.0296 -0.03 -0.122 0.411 0.39 -0.533 -0.064565830721003 -0.0637733547653338 0.1742 0.4381 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L08 mock treatment 0.011 0.533 0.47 -0.308 0.225 0.21 -0.894 -0.425565830721003 -0.420342469004214 0.1534 0.2299 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L09 compound treatment 0.119 0.641 0.57 -0.208 0.325 0.31 -0.403 0.065434169278997 0.0646310354037919 0.5435 0.837 3556416 BCB03_000843 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L10 mock treatment 0.16 0.682 0.6 -0.052 0.481 0.46 0.048 0.516434169278997 0.510095496682836 0.9074 0.9935 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L11 compound treatment -0.119 0.403 0.36 -0.07 0.463 0.44 -0.076 0.392434169278997 0.387617462983054 0.6844 0.9961 3614599 BCB03_000844 CN1C(=O)[C@@H]2[C@H](C1=O)[C@]34COC[C@@H](N4C(=O)[C@@]2(O3)C(=O)C)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L12 mock treatment -0.613 -0.0906 -0.08 0.191 0.724 0.69 0.25 0.718434169278997 0.709616164484093 0.7617 0.7672 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L13 compound treatment 0.189 0.711 0.63 0.095 0.628 0.6 0.438 0.906434169278997 0.895308667190213 1.2255 0.9827 3614605 BCB03_000845 Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L14 mock treatment -0.221 0.301 0.27 -0.045 0.488 0.46 -0.034 0.434434169278997 0.429101958268464 0.67 0.976 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L15 mock treatment -0.157 0.365 0.32 -0.57 -0.037 -0.04 -0.011 0.457434169278997 0.451819658067617 0.4271 0.7673 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L16 mock treatment 0.062 0.584 0.52 -0.606 -0.073 -0.07 -0.103 0.365434169278997 0.360948858871005 0.4666 0.7358 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L17 compound treatment -0.42 0.102 0.09 0.31 0.843 0.8 -0.105 0.363434169278997 0.358973406714557 0.7232 0.8178 3614607 BCB03_000846 CN1C(=O)[C@H]2[C@@H](C1=O)[C@@]34COC[C@@H](N4C(=O)[C@]2(O3)C(=O)C)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L18 mock treatment 0.861 1.38 1.22 0.316 0.849 0.81 0.143 0.611434169278997 0.60392947411412 1.5218 0.9596 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L19 compound treatment -0.164 0.358 0.32 -0.433 0.1 0.1 0.535 1.003434169279 0.991118096777945 0.8102 0.7754 3614609 BCB03_000847 CC(=O)[C@@]1(O[C@@]23COC[C@@H](N3C1=O)c4ccccc4)[C@H]5[C@@H]2C(=O)N(C5=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L20 mock treatment -0.521 0.00145 0.0 -0.25 0.283 0.27 0.172 0.640434169278997 0.632573530382617 0.5216 0.7586 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L21 compound treatment -0.641 -0.119 -0.1 -0.821 -0.288 -0.27 -0.816 -0.347565830721003 -0.343299834902738 -0.4171 -0.9233 3614611 BCB03_000848 CC(=O)[C@]1(O[C@]23COC[C@@H](N3C1=O)c4ccccc4)[C@@H]5[C@H]2C(=O)N(C5=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L22 mock treatment -0.065 0.457 0.4 -0.238 0.295 0.28 -0.111 0.357434169278997 0.353047050245213 0.5996 0.9895 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L23 mock treatment -0.167 0.355 0.31 -0.136 0.397 0.38 0.029 0.497434169278997 0.491328701196579 0.6835 0.9832 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 L24 mock treatment 0.362 0.884 0.78 -0.051 0.482 0.46 0.223 0.691434169278997 0.682947560372044 1.1109 0.9786 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M01 compound treatment -1.0 -0.478 -0.42 -0.681 -0.148 -0.14 -0.924 -0.455565830721003 -0.449974251350935 -0.5849 -0.9242 3614612 BCB03_000849 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@@H]3[C@@H](O)Cc6ccccc6)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M02 compound treatment 0.048 0.57 0.5 -0.209 0.324 0.31 -0.165 0.303434169278997 0.299709842021114 0.6424 0.9691 3215997 BCB03_000850 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)c4ccccc4)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M03 compound treatment 0.169 0.691 0.61 -0.036 0.497 0.47 0.391 0.859434169278997 0.848885541513683 1.1164 0.9723 3614614 BCB03_000851 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC(=C)[C@@H](/C=C/C=C)[C@@H]3[C@@H](O)Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M04 compound treatment -0.434 0.0884 0.08 -0.452 0.081 0.08 -0.277 0.191434169278997 0.189084521260021 0.1989 0.9094 3216003 BCB03_000852 CN1C(=O)[C@@H]2CC(=C3[C@H](OB(O)C[C@@H]3[C@@H]2C1=O)c4ccccc4)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M05 compound treatment -0.642 -0.12 -0.11 -1.016 -0.483 -0.46 -0.339 0.129434169278997 0.127845504410131 -0.2528 -0.517 3614616 BCB03_000853 O=C1C=C2CN3[C@H]([C@@H]2[C@H]1C4CC4)[C@H](Cc5ccccc5)OC(=O)C63CCCC6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M06 compound treatment -1.069 -0.547 -0.48 -0.848 -0.315 -0.3 -0.978 -0.509565830721003 -0.503311459575033 -0.7428 -0.978 3215999 BCB03_000854 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(C)C3=O)c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M07 compound treatment -1.288 -0.766 -0.68 -0.697 -0.164 -0.16 -0.886 -0.417565830721003 -0.412440660378421 -0.7191 -0.8901 3614620 BCB03_000855 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N[C@@H](/C=C/C3CC3)[C@H](O)Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M08 compound treatment -0.475 0.0474 0.04 -0.508 0.025 0.02 -0.024 0.444434169278997 0.438979219050705 0.2914 0.6599 3215995 BCB03_000856 CN1C(=O)[C@@H]2CC(=C3[C@H](OB(O)C[C@@H]3[C@@H]2C1=O)c4ccccc4)COc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M09 mock treatment -0.278 0.244 0.22 -0.15 0.383 0.36 -0.196 0.272434169278997 0.269090333596169 0.4908 0.9772 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M10 mock treatment -0.373 0.149 0.13 -0.188 0.345 0.33 -0.26 0.208434169278997 0.20587586458983 0.3849 0.9394 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M11 compound treatment -0.527 -0.00455 0.0 -0.216 0.317 0.3 -0.162 0.306434169278997 0.302673020255787 0.3468 0.811 3614624 BCB03_000857 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@@H](/C=C/C3CC3)[C@H](O)Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M12 compound treatment -0.702 -0.18 -0.16 -0.567 -0.034 -0.03 -0.627 -0.158565830721003 -0.156619606118394 -0.2007 -0.8909 3215892 BCB03_000858 CC1=C2[C@H](OB(O)C[C@@H]2n3n(C1)c(=O)n(c4ccccc4)c3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M13 mock treatment -0.056 0.466 0.41 -0.106 0.427 0.41 -0.045 0.423434169278997 0.418236971408 0.7144 0.9999 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M14 mock treatment -0.56 -0.0376 -0.03 -0.125 0.408 0.39 0.024 0.492434169278997 0.486390070805459 0.4861 0.7796 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M15 compound treatment -0.688 -0.166 -0.15 -0.337 0.196 0.19 -0.525 -0.056565830721003 -0.0558715461395415 -0.0089 -0.0366 3614627 BCB03_000859 O[C@@H](Cc1ccccc1)[C@H]2O[C@@H](Cc3ccccc3)[C@@H](/C=C/C4CC4)N2CC#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M16 compound treatment -0.421 0.101 0.09 -0.431 0.102 0.1 -0.551 -0.082565830721003 -0.0815524241733666 0.0608 0.3914 3215890 BCB03_000860 COCC1=C2[C@H](OB(O)C[C@@H]2n3n(C1)c(=O)n(c4ccccc4)c3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M17 compound treatment -0.378 0.144 0.13 -0.53 0.00305 0.0 -0.232 0.236434169278997 0.233532194780103 0.2102 0.7898 3562141 BCB03_000861 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@H](/C=C/C3CC3)[C@@H](O)Cc4ccccc4)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M18 compound treatment -0.432 0.0904 0.08 -0.697 -0.164 -0.16 -0.727 -0.258565830721003 -0.255392213940798 -0.1915 -0.6179 3215888 BCB03_000862 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@H](O1)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M19 compound treatment -0.03 0.492 0.44 0.03 0.563 0.54 -0.167 0.301434169278997 0.297734389864666 0.7329 0.9743 3614632 BCB03_000863 O=C1O[C@H](C2CCCCC2)[C@H](/C=C/C3CC3)N(CC#C)C1Cc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M20 compound treatment -0.525 -0.00255 0.0 -0.294 0.239 0.23 -0.05 0.418434169278997 0.41329834101688 0.3688 0.7815 3215943 BCB03_000864 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)c4ccccc4C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M21 compound treatment -0.015 0.507 0.45 -0.269 0.264 0.25 -0.077 0.391434169278997 0.38662973690483 0.6275 0.9752 3614636 BCB03_000865 O=C1O[C@@H]([C@@H]2[C@H]3C=CCCC=C3CN2C1Cc4ccccc4)C5CCCCC5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M22 compound treatment -0.836 -0.314 -0.28 -0.61 -0.077 -0.07 -0.583 -0.114565830721003 -0.113159658676536 -0.2677 -0.8684 3215941 BCB03_000866 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)c4ccccc4C3=O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M23 compound treatment -0.364 0.158 0.14 0.361 0.894 0.85 -0.419 0.049434169278997 0.0488274181522073 0.6008 0.6949 3614641 BCB03_000867 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3[C@H](/C=C/C4CC4)[C@H](Cc5ccccc5)OC3=O)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 M24 compound treatment -0.627 -0.105 -0.09 -0.368 0.165 0.16 -0.642 -0.173565830721003 -0.171435497291755 -0.0616 -0.246 3215939 BCB03_000868 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)c4ccccc4)COc5ccccc5)C(=O)c6ccccc6C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N01 compound treatment -0.737 -0.215 -0.19 -0.705 -0.172 -0.16 -0.795 -0.326565830721003 -0.322557587260033 -0.3903 -0.9555 3614646 BCB03_000869 C=CCOC(=O)[C@@]1(O[C@@]23COC[C@@H](N3C1=O)c4ccccc4)[C@H]5[C@@H]2C(=O)N(C5=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N02 mock treatment 0.049 0.571 0.51 -0.629 -0.096 -0.09 -0.395 0.073434169278997 0.0725328440295843 0.2808 0.5415 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N03 compound treatment -1.312 -0.79 -0.7 -0.851 -0.318 -0.3 -1.19 -0.721565830721003 -0.712709388158531 -0.9894 -0.949 3614650 BCB03_000870 C=CCOC(=O)[C@]1(O[C@]23COC[C@@H](N3C1=O)c4ccccc4)[C@@H]5[C@H]2C(=O)N(C5=O)c6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N04 mock treatment -0.205 0.317 0.28 -0.086 0.447 0.43 0.054 0.522434169278997 0.51602185315218 0.7058 0.9728 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N05 compound treatment -0.922 -0.4 -0.35 -0.481 0.052 0.05 -0.654 -0.185565830721003 -0.183288210230443 -0.2811 -0.701 3614652 BCB03_000871 O=C(NCc1ccccc1)[C@@]2(O[C@@]34COC[C@@H](N4C2=O)c5ccccc5)[C@H]6[C@@H]3C(=O)N(C6=O)c7ccccc7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N06 mock treatment -0.333 0.189 0.17 -0.307 0.226 0.22 -0.125 0.343434169278997 0.339218885150076 0.4169 0.9577 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N07 compound treatment -0.607 -0.0846 -0.07 -0.244 0.289 0.28 0.473 0.941434169278997 0.929879079928055 0.6527 0.671 3614656 BCB03_000872 O=C(NCCc1c[nH]c2ccccc12)[C@@]3(O[C@@]45COC[C@@H](N5C3=O)c6ccccc6)[C@H]7[C@@H]4C(=O)N(C7=O)c8ccccc8 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N08 mock treatment 0.222 0.744 0.66 0.193 0.726 0.69 1.382 1.850434169279 1.54614549328309 1.672 0.9201 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N09 mock treatment -0.341 0.181 0.16 -0.206 0.327 0.31 -0.157 0.311434169278997 0.307611650646907 0.4501 0.9653 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N10 mock treatment -0.307 0.215 0.19 -0.174 0.359 0.34 -0.237 0.231434169278997 0.228593564388983 0.4394 0.9693 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N11 compound treatment -0.219 0.303 0.27 -0.254 0.279 0.27 -0.117 0.351434169278997 0.347120693775869 0.5088 0.9918 3614660 BCB03_000873 COC(=O)c1c(COC[C@@H](NC(=O)N(C)Cc2ccccc2)c3ccccc3)oc(C(=O)OCC=C)c1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N12 mock treatment -0.211 0.311 0.28 -0.034 0.499 0.48 0.0 0.468434169278997 0.462684644928082 0.7006 0.9754 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N13 mock treatment -0.282 0.24 0.21 -0.34 0.193 0.18 -0.382 0.086434169278997 0.0853732830464969 0.2782 0.947 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N14 mock treatment -0.22 0.302 0.27 0.953 1.49 1.42 -0.187 0.281434169278997 0.277979868300185 1.1322 0.7716 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N15 compound treatment -0.783 -0.261 -0.23 -0.354 0.179 0.17 -0.458 0.010434169278997 0.0103061011014695 -0.0286 -0.0996 3614664 BCB03_000874 COc1cc(/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCc3ccc(cc3C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N16 mock treatment -0.194 0.328 0.29 -0.039 0.494 0.47 -0.267 0.201434169278997 0.198961782042262 0.5543 0.943 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N17 compound treatment -0.209 0.313 0.28 -0.187 0.346 0.33 -0.288 0.180434169278997 0.178219534399557 0.4532 0.9724 1917883 BCB03_000875 O/N=C/1\C2(CCCCC2)C(=O)N(O)C31CCCC=C3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N18 mock treatment -0.352 0.17 0.15 -0.276 0.257 0.24 0.103 0.571434169278997 0.564420430985158 0.5542 0.875 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N19 compound treatment 3.692 4.21 1.65 -0.234 0.299 0.28 0.225 0.693434169278997 0.684923012528492 1.5151 0.8356 3614668 BCB03_000876 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)n7c(=O)[nH]c8ccccc78)C(=C5)C(=O)c9cc%10ccccc%10s9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N20 mock treatment 1.217 1.74 1.39 0.427 0.96 0.91 -0.246 0.222434169278997 0.219704029684967 1.4593 0.8681 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N21 compound treatment 0.717 1.24 1.1 3.281 3.81 1.76 1.671 2.139434169279 1.602691395513 2.5742 0.9823 3614669 BCB03_000877 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)n7c(=O)[nH]c8ccccc78)C(=C5)C(=O)C9CCCCC9 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N22 mock treatment 0.447 0.969 0.86 -0.174 0.359 0.34 -0.433 0.035434169278997 0.0349992530570706 0.7125 0.7716 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N23 compound treatment 0.438 0.96 0.85 1.177 1.71 1.5 0.883 1.351434169279 1.33484677199991 2.128 0.9755 3614671 BCB03_000878 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)C(=O)N)C(=C5)C(=O)c7ccc(F)c(F)c7 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 N24 mock treatment -0.022 0.5 0.44 -0.078 0.455 0.43 -0.074 0.394434169278997 0.389592915139502 0.7307 0.9985 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O01 compound treatment -0.25 0.272 0.24 -0.185 0.348 0.33 -0.537 -0.068565830721003 -0.06772425907823 0.2914 0.7015 3614673 BCB03_000879 COC(=O)[C@H](Cc1ccccc1)N2[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O02 compound treatment -0.133 0.389 0.34 -0.487 0.046 0.04 -0.18 0.288434169278997 0.284893950847754 0.3886 0.8654 2065712 BCB03_000880 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O03 compound treatment -0.431 0.0914 0.08 -0.242 0.291 0.28 -0.216 0.252434169278997 0.249335812031688 0.3507 0.9192 3614677 BCB03_000881 COC(=O)C1(CCCC1)N2[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O04 compound treatment -0.724 -0.202 -0.18 -0.43 0.103 0.1 -0.689 -0.220565830721003 -0.217858622968285 -0.172 -0.577 3215981 BCB03_000882 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O05 compound treatment 0.0 0.522 0.46 -0.138 0.395 0.38 -0.228 0.240434169278997 0.237483099093 0.6211 0.9683 3614680 BCB03_000883 COC(=O)[C@H](Cc1ccccc1)N2[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O06 compound treatment -0.474 0.0484 0.04 -0.374 0.159 0.15 -0.303 0.165434169278997 0.163403643226196 0.2065 0.9102 3215977 BCB03_000884 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)c3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O07 compound treatment 0.278 0.8 0.71 0.041 0.574 0.55 -0.091 0.377434169278997 0.372801571809694 0.9395 0.9697 3563099 BCB03_000885 COC(=O)C1=CN(C)C(C)c2ccccc2C=C1C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O08 compound treatment -0.336 0.186 0.16 -0.581 -0.048 -0.05 0.948 1.416434169279 1.39904896708448 0.8765 0.6219 2065737 BCB03_000886 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O09 compound treatment -0.552 -0.0296 -0.03 -0.309 0.224 0.21 -0.474 -0.00556583072100297 -0.00549751615011517 0.105 0.488 3563100 BCB03_000887 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@H](C)c3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O10 compound treatment -0.727 -0.205 -0.18 -0.388 0.145 0.14 -0.182 0.286434169278997 0.282918498691306 0.1387 0.382 3215979 BCB03_000888 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O11 mock treatment -0.227 0.295 0.26 0.134 0.667 0.64 -0.114 0.354434169278997 0.350083872010541 0.7198 0.9335 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O12 mock treatment -0.341 0.181 0.16 -0.227 0.306 0.29 0.239 0.707434169278997 0.698751177623628 0.6644 0.8584 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O13 compound treatment -0.694 -0.172 -0.15 -0.882 -0.349 -0.33 -0.794 -0.325565830721003 -0.321569861181809 -0.4652 -0.9556 3563102 BCB03_000889 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@@H](C)c3ccccc23 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O14 compound treatment -0.531 -0.00855 -0.01 -0.597 -0.064 -0.06 -0.546 -0.077565830721003 -0.0766137937822464 -0.0838 -0.8533 3215975 BCB03_000890 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O15 compound treatment -0.205 0.317 0.28 -0.144 0.389 0.37 0.123 0.591434169278997 0.584174952549639 0.7133 0.9554 3563103 BCB03_000891 CC1N(C)/C(=N\P(=O)(Oc2ccccc2)Oc3ccccc3)/Cc4ccccc14 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O16 compound treatment -0.65 -0.128 -0.11 -0.434 0.099 0.09 -0.656 -0.187565830721003 -0.185263662386891 -0.1176 -0.4972 3215878 BCB03_000892 CC1=C([C@H](O)c2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O17 compound treatment 0.236 0.758 0.67 0.244 0.777 0.74 0.281 0.749434169278997 0.740235672909038 1.2419 0.999 3563106 BCB03_000893 CN/1C(C=C)c2ccccc2C\C1=N\P(=O)(Oc3ccccc3)Oc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O18 compound treatment -0.188 0.334 0.3 -0.453 0.08 0.08 -0.247 0.221434169278997 0.218716303606743 0.341 0.9079 3215876 BCB03_000894 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O19 compound treatment 0.05 0.572 0.51 0.375 0.908 0.87 0.013 0.481434169278997 0.475525083944994 1.0662 0.9611 3563109 BCB03_000895 CCOC(=O)C1=C2[C@H](ON1)N(C)[C@@H](C3CC3)c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O20 compound treatment 2.217 2.74 1.54 -0.526 0.00705 0.01 -0.531 -0.062565830721003 -0.0617979026088857 0.8567 0.5562 3215874 BCB03_000896 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O21 compound treatment 1.329 1.85 1.41 -0.138 0.395 0.38 -0.069 0.399434169278997 0.394531545530623 1.2619 0.8323 3563111 BCB03_000897 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@@H](C3CC3)c4ccccc24 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O22 compound treatment -0.771 -0.249 -0.22 -0.606 -0.073 -0.07 -0.74 -0.271565830721003 -0.268232652957711 -0.3219 -0.9101 3216007 BCB03_000898 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O23 compound treatment 0.511 1.03 0.91 -0.03 0.503 0.48 -0.203 0.265434169278997 0.262176251048601 0.9556 0.8976 3563112 BCB03_000899 CN/1C(C2CC2)c3ccccc3C\C1=N\P(=O)(Oc4ccccc4)Oc5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 O24 compound treatment -0.759 -0.237 -0.21 -0.409 0.124 0.12 -0.561 -0.0925658307210031 -0.0914296849556071 -0.1053 -0.4097 3216011 BCB03_000900 COC[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P01 compound treatment -0.557 -0.0346 -0.03 -0.757 -0.224 -0.21 -0.567 -0.0985658307210029 -0.0973560414249512 -0.197 -0.8331 3614688 BCB03_000901 COc1ccc(cc1OC2CCCC2)C3=NOC(C3)C(=O)NO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P02 mock treatment -0.069 0.453 0.4 1.09 1.62 1.48 -0.247 0.221434169278997 0.218716303606743 1.2135 0.7824 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P03 compound treatment -0.744 -0.222 -0.2 -0.907 -0.374 -0.36 -0.667 -0.198565830721003 -0.196128649247356 -0.432 -0.9571 3614690 BCB03_000902 CC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P04 mock treatment -0.276 0.246 0.22 0.103 0.636 0.61 -0.267 0.201434169278997 0.198961782042262 0.5905 0.8762 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P05 compound treatment -0.484 0.0384 0.03 0.442 0.975 0.93 1.235 1.703434169279 1.5126436249587 1.4292 0.805 3614693 BCB03_000903 COC(=O)c1cn(CC(=O)O)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P06 mock treatment 1.683 2.21 1.47 -0.125 0.408 0.39 -0.287 0.181434169278997 0.179207260477781 1.178 0.7682 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P07 compound treatment -0.018 0.504 0.45 -0.578 -0.045 -0.04 -0.481 -0.012565830721003 -0.0124115986976835 0.2256 0.5033 3614695 BCB03_000904 COC(=O)c1cn(CCC(=O)O)nn1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P08 mock treatment -0.701 -0.179 -0.16 -0.209 0.324 0.31 -0.158 0.310434169278997 0.306623924568683 0.2641 0.5706 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P09 compound treatment -0.822 -0.3 -0.26 -0.509 0.024 0.02 -0.549 -0.080565830721003 -0.0795769720169185 -0.1856 -0.6689 1366116 BCB03_000905 Brc1ccc2ncnc(NCC=C)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P10 mock treatment -0.183 0.339 0.3 -0.083 0.45 0.43 0.0 0.468434169278997 0.462684644928082 0.6879 0.9848 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P11 mock treatment -0.225 0.297 0.26 -0.333 0.2 0.19 -0.433 0.035434169278997 0.0349992530570706 0.2821 0.8635 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P12 mock treatment -0.393 0.129 0.11 0.022 0.555 0.53 -0.185 0.283434169278997 0.279955320456634 0.533 0.875 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P13 compound treatment -0.13 0.392 0.35 -0.076 0.457 0.44 0.233 0.701434169278997 0.692824821154284 0.8517 0.9583 1263689 BCB03_000906 Brc1ccc2ncnc(NCc3ccccc3)c2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P14 mock treatment -0.403 0.119 0.11 -0.25 0.283 0.27 0.067 0.535434169278997 0.528862292169093 0.522 0.8657 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P15 compound treatment -0.477 0.0454 0.04 -0.5 0.033 0.03 -0.39 0.078434169278997 0.0774714744207045 0.0861 0.9281 1385097 BCB03_000907 CCCNc1ncnc2ccc(Br)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P16 mock treatment -0.215 0.307 0.27 -0.263 0.27 0.26 0.204 0.672434169278997 0.664180764885787 0.6889 0.9037 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P17 compound treatment 1.607 2.13 1.46 -0.526 0.00705 0.01 -0.449 0.019434169278997 0.0191956358054859 0.8586 0.5875 3614697 BCB03_000908 CC(C)(C)OC(=O)NCCOCCOCCNc1ncnc2ccc(Br)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P18 mock treatment 0.017 0.539 0.48 0.059 0.592 0.56 0.035 0.503434169278997 0.497255057665923 0.8881 0.9974 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P19 compound treatment -0.698 -0.176 -0.16 -0.462 0.071 0.07 -0.354 0.114434169278997 0.11302961323677 0.0147 0.0723 3614698 BCB03_000909 CCOc1ncnc2ccc(Br)cc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P20 mock treatment -0.537 -0.0146 -0.01 -0.233 0.3 0.29 -0.497 -0.028565830721003 -0.0282152159492682 0.1413 0.4915 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P21 compound treatment -0.245 0.277 0.25 -0.127 0.406 0.39 -0.625 -0.156565830721003 -0.154644153961946 0.2757 0.5702 1985613 BCB03_000910 C=CCNc1ncnc2ccccc12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P22 mock treatment -0.406 0.116 0.1 -0.288 0.245 0.23 -0.504 -0.035565830721003 -0.0351292984968365 0.1739 0.6754 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P23 compound treatment -0.469 0.0534 0.05 -0.185 0.348 0.33 0.169 0.637434169278997 0.629610352147945 0.5822 0.8164 1412880 BCB03_000911 C(Nc1ncnc2ccccc12)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2283 P24 mock treatment -0.353 0.169 0.15 -0.16 0.373 0.36 -0.067 0.401434169278997 0.396506997687071 0.5206 0.9412 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A01 mock treatment -0.186 0.336 0.3 -0.206 0.327 0.31 -0.322 0.146434169278997 0.14463684773994 0.4351 0.9576 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A02 compound treatment -0.474 0.0484 0.04 -0.654 -0.121 -0.12 -0.358 0.110434169278997 0.109078708923874 0.0212 0.1289 3555546 CMLD3_000001 COc1ccc2O[C@@H]([C@@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A03 mock treatment -0.41 0.112 0.1 -0.278 0.255 0.24 -0.162 0.306434169278997 0.302673020255787 0.3724 0.9295 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A04 compound treatment -0.241 0.281 0.25 -0.231 0.302 0.29 -0.241 0.227434169278997 0.224642660076087 0.4395 0.9948 3555566 CMLD3_000002 COc1ccc2C(=O)[C@@H](OC(=O)NCCOc3ccccc3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A05 compound treatment -0.943 -0.421 -0.37 -0.91 -0.377 -0.36 -0.43 0.038434169278997 0.0379624312917428 -0.4001 -0.7719 3555570 CMLD3_000003 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A06 compound treatment -0.629 -0.107 -0.09 -0.558 -0.025 -0.02 -0.744 -0.275565830721003 -0.272183557270607 -0.2253 -0.7794 3555574 CMLD3_000004 COc1ccc2O[C@H]([C@H](O)C(=O)c2c1)c3ccc(OC)c(Br)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A07 mock treatment -0.134 0.388 0.34 -0.177 0.356 0.34 -0.053 0.415434169278997 0.410335162782207 0.631 0.996 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A08 compound treatment -0.65 -0.128 -0.11 -0.478 0.055 0.05 -0.293 0.175434169278997 0.173280904008437 0.0652 0.3057 3555579 CMLD3_000005 COc1ccc2O[C@H]([C@H](OC(=O)NCCOc3ccccc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A09 compound treatment -0.09 0.432 0.38 -0.165 0.368 0.35 -0.018 0.450434169278997 0.444905575520049 0.68 0.9951 3555584 CMLD3_000006 Brc1ccc2O[C@H]([C@H](OC(=O)NCc3ccc4OCOc4c3)C(=O)c2c1)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A10 compound treatment -0.582 -0.0596 -0.05 -0.948 -0.415 -0.4 -0.42 0.048434169278997 0.0478396920739832 -0.231 -0.5751 3555589 CMLD3_000007 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1Cc2cc(Br)ccc2O[C@H]1c3cccc(OC)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A11 mock treatment -0.136 0.386 0.34 -0.16 0.373 0.36 -0.242 0.226434169278997 0.223654933997863 0.5316 0.9819 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A12 compound treatment -0.242 0.28 0.25 -0.468 0.065 0.06 -0.649 -0.180565830721003 -0.178349579839323 0.076 0.2437 3555594 CMLD3_000008 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A13 mock treatment 0.026 0.548 0.48 -0.174 0.359 0.34 -0.116 0.352434169278997 0.348108419854093 0.6784 0.9861 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A14 mock treatment -0.138 0.384 0.34 -0.234 0.299 0.28 0.072 0.540434169278997 0.533800922560213 0.6689 0.9638 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A15 compound treatment -0.532 -0.00955 -0.01 -0.623 -0.09 -0.09 -0.338 0.130434169278997 0.128833230488355 0.02 0.1293 3555598 CMLD3_000009 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)c2cc(C)cc(C)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A16 compound treatment -0.582 -0.0596 -0.05 -0.38 0.153 0.15 -0.397 0.071434169278997 0.0705573918731362 0.0945 0.5549 3555600 CMLD3_000010 Cc1cc(C)cc(/C=C/[C@H]2OC[C@@H](O)[C@H]2Oc3ccc(cc3)C4CCCC4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A17 compound treatment -0.656 -0.134 -0.12 -0.5 0.033 0.03 -0.149 0.319434169278997 0.315513459272699 0.1322 0.3906 3555605 CMLD3_000011 COc1ccc(C#C[C@H]2O[C@H](CO)[C@@H](Oc3cc(C)cc(C)c3)C=C2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A18 compound treatment -0.36 0.162 0.14 -0.387 0.146 0.14 -0.537 -0.068565830721003 -0.06772425907823 0.1241 0.588 3555609 CMLD3_000012 CC(C)(C)OC(=O)C1=NOC2(C1)C=CC(=O)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A19 compound treatment 0.258 0.78 0.69 -0.361 0.172 0.16 -0.447 0.021434169278997 0.021171087961934 0.5052 0.7121 3555611 CMLD3_000013 COC(=O)N[C@@H](c1ccccc1)[C@@]2(CCCC2=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A20 compound treatment -0.312 0.21 0.19 -0.41 0.123 0.12 -0.682 -0.213565830721003 -0.210944540420716 0.0533 0.1749 3555615 CMLD3_000014 CCCCCCCC#Cc1ccccc1C(NC(=O)OC)C(C(=O)OC)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A21 compound treatment -0.757 -0.235 -0.21 -0.61 -0.077 -0.07 -0.472 -0.00356583072100297 -0.00352206399366708 -0.1641 -0.7459 3555617 CMLD3_000015 CC(C)(C)OC1C2C3C2C4C1C3CC=CC4(O)CC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A22 compound treatment -0.696 -0.174 -0.15 0.569 1.1 1.05 0.058 0.526434169278997 0.519972757465076 0.8178 0.6921 3555619 CMLD3_000016 COCn1c2ccccc2c3nnc(nc13)C(=O)O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A23 compound treatment -0.873 -0.351 -0.31 -0.523 0.01 0.01 -0.803 -0.334565830721003 -0.330459395885826 -0.3642 -0.8037 3555621 CMLD3_000017 COC(=O)N[C@H](/C(=C(\C)/NCc1ccccc1)/C(=O)OC)c2cccs2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 A24 compound treatment -0.85 -0.328 -0.29 -0.679 -0.146 -0.14 -0.949 -0.480565830721003 -0.474667403306536 -0.5215 -0.9099 3555626 CMLD3_000018 CC(=CCC/C(=C/C=C/C1=CC2(C)CC1(C)C(CC2=O)\C=C(/C)\CCC=C(C)C)/C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B01 compound treatment -1.239 -0.717 -0.63 -0.946 -0.413 -0.39 -1.425 -0.956565830721003 -0.944825016541181 -1.1384 -0.9458 3555630 CMLD3_000019 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B02 compound treatment -0.585 -0.0626 -0.06 -0.344 0.189 0.18 -0.378 0.090434169278997 0.089324187359393 0.1236 0.5929 3555635 CMLD3_000020 COc1ccc2C(=O)[C@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B03 compound treatment -0.424 0.0984 0.09 -0.162 0.371 0.35 -0.541 -0.072565830721003 -0.0716751633911262 0.2129 0.5739 3555639 CMLD3_000021 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(OC(F)F)cc3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B04 compound treatment -0.028 0.494 0.44 0.312 0.845 0.81 0.057 0.525434169278997 0.518985031386852 1.0168 0.9658 3555643 CMLD3_000022 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H]3CCCc4ccccc34)[C@@H](Oc2c1)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B05 compound treatment -0.701 -0.179 -0.16 0.013 0.546 0.52 -0.373 0.095434169278997 0.0942628177505133 0.2636 0.4778 3555647 CMLD3_000023 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B06 compound treatment -1.0 -0.478 -0.42 -0.397 0.136 0.13 -0.468 4.34169278996976E-4 4.28840319229044E-4 -0.1687 -0.3819 3555651 CMLD3_000024 COc1ccc2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B07 compound treatment -0.759 -0.237 -0.21 -0.579 -0.046 -0.04 -0.327 0.141434169278997 0.139698217348819 -0.0654 -0.256 3555653 CMLD3_000025 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3cccc(OC)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B08 compound treatment -0.039 0.483 0.43 -0.103 0.43 0.41 0.011 0.479434169278997 0.473549631788546 0.7567 0.9981 3555657 CMLD3_000026 COc1ccc2C(=O)[C@H](OC(=O)N[C@H]3CCCc4ccccc34)[C@H](Oc2c1)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B09 compound treatment -0.189 0.333 0.29 0.464 0.997 0.95 0.076 0.544434169278997 0.537751826873109 1.0291 0.9102 3555659 CMLD3_000027 COc1ccc2C(=O)[C@H](OC(=O)N[C@H](C)C3CCCCC3)[C@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B10 compound treatment -0.987 -0.465 -0.41 -1.141 -0.608 -0.58 -0.726 -0.257565830721003 -0.254404487862574 -0.7184 -0.9525 3555663 CMLD3_000028 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B11 compound treatment 0.078 0.6 0.53 0.203 0.736 0.7 0.37 0.838434169278997 0.828143293870978 1.1895 0.9846 3555666 CMLD3_000029 COc1ccc2O[C@H]([C@H](OC(=O)Nc3ccc(C)c(Br)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B12 compound treatment 0.06 0.582 0.51 0.0 0.533 0.51 0.018 0.486434169278997 0.480463714336115 0.8679 0.9996 3555670 CMLD3_000030 COc1ccc2C(=O)[C@H](OC(=O)NCCOc3ccccc3)[C@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B13 mock treatment -0.195 0.327 0.29 -0.372 0.161 0.15 -0.356 0.112434169278997 0.111054161080322 0.3198 0.9245 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B14 mock treatment -0.348 0.174 0.15 -0.65 -0.117 -0.11 -0.065 0.403434169278997 0.398482449843519 0.2548 0.577 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B15 compound treatment -0.395 0.127 0.11 -0.039 0.494 0.47 -0.337 0.131434169278997 0.129820956566579 0.4117 0.8217 3555672 CMLD3_000031 CC(=O)c1ccc(cc1)[C@H]2O[C@H](CO)[C@@H](Oc3ccc(cc3)c4ccccc4)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B16 compound treatment -0.5 0.0224 0.02 -0.262 0.271 0.26 0.056 0.524434169278997 0.517997305308628 0.4596 0.7936 3555676 CMLD3_000032 CC(C)(C)c1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B17 compound treatment -0.108 0.414 0.37 -0.158 0.375 0.36 -0.283 0.185434169278997 0.183158164790677 0.5236 0.9632 3555680 CMLD3_000033 CC(=O)c1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(Br)cc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B18 compound treatment 0.0 0.522 0.46 0.294 0.827 0.79 -0.439 0.029434169278997 0.0290728965877263 0.7383 0.808 3555686 CMLD3_000034 COc1ccc(/C=C/C2=CC3(C)CC2(C)C(CC3=O)c4ccc(OC)cc4)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B19 compound treatment -0.464 0.0584 0.05 -0.316 0.217 0.21 0.118 0.586434169278997 0.579236322158519 0.4836 0.7836 3555689 CMLD3_000035 COC(=O)N[C@H](CC(=O)C)c1ccc2OCOc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B20 mock treatment 0.0 0.522 0.46 -0.289 0.244 0.23 0.143 0.611434169278997 0.60392947411412 0.7496 0.9428 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B21 compound treatment -0.351 0.171 0.15 -0.343 0.19 0.18 -0.296 0.172434169278997 0.170317725773765 0.2904 0.9974 3555694 CMLD3_000036 COCO[C@@H]1[C@@H](C)C(=O)N2[C@@H]1[C@@H](Oc3ccc(OC)cc23)/C=C/C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B22 compound treatment -0.69 -0.168 -0.15 -0.732 -0.199 -0.19 -0.587 -0.118565830721003 -0.117110562989432 -0.2626 -0.9814 3555700 CMLD3_000037 C[C@@H]1C=CCCO[C@H]1c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B23 compound treatment -0.308 0.214 0.19 -0.431 0.102 0.1 -0.412 0.056434169278997 0.0557415006997756 0.1978 0.898 3555703 CMLD3_000038 CCCCCCCC#Cc1ccccc1/C=N/S(=O)c2ccc(C)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 B24 compound treatment 0.826 1.35 1.19 1.54 2.07 1.57 0.588 1.056434169279 1.04346757892382 2.198 0.985 3555707 CMLD3_000039 COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)c3ccccn3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C01 compound treatment -0.843 -0.321 -0.28 -0.83 -0.297 -0.28 -0.427 0.041434169278997 0.0409256095264149 -0.3033 -0.7536 3555711 CMLD3_000040 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3[C@H](O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C02 compound treatment -0.384 0.138 0.12 -0.283 0.25 0.24 -0.247 0.221434169278997 0.218716303606743 0.3345 0.9673 3555810 CMLD3_000041 COc1ccc2C(=O)[C@@H](OC(=O)NCCc3ccc(OC)c(OC)c3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C03 compound treatment -0.639 -0.117 -0.1 -0.28 0.253 0.24 -0.176 0.292434169278997 0.28884485516065 0.2465 0.6318 3555814 CMLD3_000042 CCOC(=O)CNC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C04 compound treatment -0.219 0.303 0.27 -0.23 0.303 0.29 -0.629 -0.160565830721003 -0.158595058274842 0.23 0.5414 3555817 CMLD3_000043 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2[C@H](Oc3ccc(OC)cc3C2=O)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C05 compound treatment -0.588 -0.0656 -0.06 -0.247 0.286 0.27 -0.344 0.124434169278997 0.122906874019011 0.1948 0.6398 3555820 CMLD3_000044 COc1ccc2O[C@@H]([C@@H](OC(=O)NS(=O)(=O)c3ccc(F)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C06 compound treatment -1.369 -0.847 -0.75 -1.128 -0.595 -0.57 -0.491 -0.022565830721003 -0.0222888594799239 -0.7722 -0.8223 3555823 CMLD3_000045 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc4ccc(C)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C07 compound treatment 0.0 0.522 0.46 0.103 0.636 0.61 0.386 0.854434169278997 0.843946911122563 1.1038 0.9708 3555825 CMLD3_000046 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3cccc(OC)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C08 compound treatment -0.195 0.327 0.29 -0.297 0.236 0.22 -0.237 0.231434169278997 0.228593564388983 0.4289 0.9929 3555829 CMLD3_000047 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NC4CCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C09 compound treatment 3.744 4.27 1.66 -0.031 0.502 0.48 -0.169 0.299434169278997 0.295758937708218 1.4038 0.8021 3555833 CMLD3_000048 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2[C@H](Oc3cc(OC)ccc3C2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C10 compound treatment -0.408 0.114 0.1 -0.564 -0.031 -0.03 -0.519 -0.050565830721003 -0.0499451896701972 0.0126 0.1077 3555837 CMLD3_000049 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C11 mock treatment -0.022 0.5 0.44 -0.076 0.457 0.44 -0.057 0.411434169278997 0.406384258469311 0.7415 0.9993 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C12 mock treatment -0.157 0.365 0.32 -0.227 0.306 0.29 0.174 0.642434169278997 0.634548982539065 0.7212 0.9373 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C13 compound treatment -0.247 0.275 0.24 -0.069 0.464 0.44 0.385 0.853434169278997 0.842959185044339 0.8825 0.8982 3555841 CMLD3_000050 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2Cc3cc(OC)ccc3O[C@H]2c4cccc(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C14 compound treatment -0.627 -0.105 -0.09 -0.51 0.023 0.02 -0.338 0.130434169278997 0.128833230488355 0.0337 0.2105 3555844 CMLD3_000051 CC(=O)c1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccc(Cl)cc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C15 mock treatment -0.173 0.349 0.31 -0.316 0.217 0.21 -0.169 0.299434169278997 0.295758937708218 0.4685 0.9862 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C16 mock treatment -0.362 0.16 0.14 -0.196 0.337 0.32 0.104 0.572434169278997 0.565408157063382 0.5937 0.8921 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C17 compound treatment -0.076 0.446 0.39 0.035 0.568 0.54 -0.073 0.395434169278997 0.390580641217727 0.7658 0.9877 3555848 CMLD3_000052 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2cccc(c2)N(C)C)C#Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C18 compound treatment 0.537 1.06 0.94 -0.038 0.495 0.47 -0.071 0.397434169278997 0.392556093374175 1.0397 0.9285 3555853 CMLD3_000053 COC(=O)C1(CC2(CCC3C4C5C41)OCCO2)C3C5OCc6ccccc6 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C19 compound treatment -0.986 -0.464 -0.41 -0.878 -0.345 -0.33 -0.793 -0.324565830721003 -0.320582135103585 -0.6114 -0.9935 3555855 CMLD3_000054 COc1cccc(/C=C/C2=CC3(C)CC2(C)C(CC3=O)c4cccc(OC)c4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C20 compound treatment 0.554 1.08 0.95 -0.069 0.464 0.44 0.728 1.196434169279 1.18174922987519 1.487 0.9409 3555859 CMLD3_000055 COC(=O)[C@@H]1[C@H]([C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@]12c4ccc(OC)cc4)c5ccccc5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C21 compound treatment -0.028 0.494 0.44 -0.352 0.181 0.17 -0.194 0.274434169278997 0.271065785752617 0.5085 0.9372 831758 CMLD3_000056 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C22 compound treatment 0.048 0.57 0.5 0.029 0.562 0.54 -0.112 0.356434169278997 0.352059324166989 0.8036 0.9854 3555865 CMLD3_000057 COC(=O)N[C@H](C(C(=O)C)C(=O)OC)c1cccc(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C23 compound treatment -0.298 0.224 0.2 -0.358 0.175 0.17 -0.304 0.164434169278997 0.162415917147972 0.3046 0.9959 3555869 CMLD3_000058 COC(=O)N[C@H](CC(=O)C)c1ccc(F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 C24 compound treatment -0.466 0.0564 0.05 0.319 0.852 0.81 -0.027 0.441434169278997 0.436016040816033 0.7492 0.8119 3555873 CMLD3_000059 CCCCCCCC1=CC2=CC(=O)C(C)(O)C(=O)C2=CN1CCCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D01 compound treatment -0.316 0.206 0.18 0.016 0.549 0.52 -0.25 0.218434169278997 0.215753125372071 0.5319 0.8947 3555876 CMLD3_000060 Cc1ccc(cc1)S(=O)(=O)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D02 compound treatment -0.315 0.207 0.18 -0.195 0.338 0.32 -0.354 0.114434169278997 0.11302961323677 0.3571 0.9216 3555884 CMLD3_000061 COc1ccc2C(=O)[C@@H](OC(=O)NC3CCCC3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D03 compound treatment -0.624 -0.102 -0.09 -0.459 0.074 0.07 -0.577 -0.108565830721003 -0.107233302207192 -0.073 -0.4662 3555888 CMLD3_000062 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(C)c(Br)c3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D04 mock treatment 0.139 0.661 0.58 -0.216 0.317 0.3 -0.453 0.015434169278997 0.0152447314925897 0.5208 0.7911 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D05 compound treatment -0.025 0.497 0.44 -0.424 0.109 0.1 0.011 0.479434169278997 0.473549631788546 0.5873 0.8972 3555892 CMLD3_000063 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D06 compound treatment -0.309 0.213 0.19 -0.658 -0.125 -0.12 -0.598 -0.129565830721003 -0.127975549849897 -0.0337 -0.1309 3555896 CMLD3_000064 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D07 compound treatment -0.872 -0.35 -0.31 -1.045 -0.512 -0.49 -0.841 -0.372565830721003 -0.367992986858339 -0.6725 -0.9822 3555901 CMLD3_000065 COc1ccc2C(=O)[C@@H](OC(=O)NC3CCCC3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D08 mock treatment -0.185 0.337 0.3 -0.513 0.02 0.02 -0.135 0.333434169278997 0.329341624367836 0.3734 0.8395 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D09 compound treatment 0.181 0.703 0.62 -0.159 0.374 0.36 -0.34 0.128434169278997 0.126857778331907 0.638 0.8765 3555905 CMLD3_000066 COc1cc(NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4)cc(OC)c1OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D10 compound treatment -0.556 -0.0336 -0.03 -0.053 0.48 0.46 -0.218 0.250434169278997 0.24736035987524 0.3897 0.7483 3555908 CMLD3_000067 COc1ccc2O[C@@H]([C@@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D11 mock treatment -0.444 0.0784 0.07 -0.375 0.158 0.15 -0.23 0.238434169278997 0.235507646936552 0.2629 0.913 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D12 mock treatment -0.629 -0.107 -0.09 -0.198 0.335 0.32 0.417 0.885434169278997 0.874566419547508 0.6348 0.6784 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D13 mock treatment -0.493 0.0294 0.03 -0.14 0.393 0.37 0.02 0.488434169278997 0.482439166492563 0.5097 0.8339 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D14 compound treatment -0.413 0.109 0.1 -0.654 -0.121 -0.12 -0.353 0.115434169278997 0.114017339314994 0.0552 0.2922 3555912 CMLD3_000068 CN(C)c1cccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D15 mock treatment -0.306 0.216 0.19 2.699 3.23 1.71 -0.246 0.222434169278997 0.219704029684967 1.2266 0.7057 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D16 mock treatment -0.381 0.141 0.13 -0.205 0.328 0.31 -0.143 0.325434169278997 0.321439815742043 0.4382 0.9415 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D17 compound treatment -0.452 0.0704 0.06 -0.097 0.436 0.42 -0.13 0.338434169278997 0.334280254758956 0.4688 0.8733 3555916 CMLD3_000069 OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C=O)cc2)C#Cc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D18 compound treatment -0.01 0.512 0.45 -0.474 0.059 0.06 0.41 0.878434169278997 0.86765233699994 0.795 0.8109 3555921 CMLD3_000070 COc1ccccc1/C=C/C2=CC3(C)CC2(C)C(CC3=O)c4ccccc4OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D19 compound treatment -0.704 -0.182 -0.16 -0.56 -0.027 -0.03 -0.835 -0.366565830721003 -0.362066630388995 -0.3165 -0.7976 3555925 CMLD3_000071 CCC/C=C/C1C(CO)C2(OCC(CC)(CC)CO2)[C@@H]3O[C@@H]3C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D20 compound treatment -0.435 0.0874 0.08 0.053 0.586 0.56 -0.249 0.219434169278997 0.216740851450295 0.4921 0.8149 3555929 CMLD3_000072 COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D21 compound treatment -0.548 -0.0256 -0.02 -0.593 -0.06 -0.06 -0.305 0.163434169278997 0.161428191069748 0.0472 0.2732 3555933 CMLD3_000073 COc1ccc(cc1)C(=O)CC(=O)c2c(O)cc(OC)cc2OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D22 compound treatment -0.362 0.16 0.14 0.762 1.3 1.23 0.154 0.622434169278997 0.614794460974584 1.1491 0.8293 3555935 CMLD3_000074 COC(=O)N[C@@H](c1ccco1)[C@@]2(CCCC2=O)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D23 mock treatment 0.091 0.613 0.54 -0.362 0.171 0.16 -0.383 0.085434169278997 0.0843855569682728 0.4559 0.7963 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 D24 compound treatment 0.305 0.827 0.73 0.276 0.809 0.77 -0.2 0.268434169278997 0.265139429283273 1.0204 0.9317 3555939 CMLD3_000075 COC(=O)N[C@H](C(C(=O)C)C(=O)OC)c1cccc(F)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E01 mock treatment -0.15 0.372 0.33 -0.57 -0.037 -0.04 -0.415 0.053434169278997 0.0527783224651034 0.2003 0.5972 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E02 mock treatment 0.055 0.577 0.51 -0.29 0.243 0.23 -0.396 0.072434169278997 0.0715451179513602 0.4697 0.8312 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E03 mock treatment 0.131 0.653 0.58 -0.266 0.267 0.25 0.13 0.598434169278997 0.591089035097207 0.8217 0.9502 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E04 compound treatment -0.392 0.13 0.12 -0.426 0.107 0.1 -0.375 0.093434169278997 0.0922873655940652 0.1787 0.9958 3555943 CMLD3_000076 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E05 compound treatment -0.589 -0.0666 -0.06 -0.323 0.21 0.2 0.176 0.644434169278997 0.636524434695513 0.4491 0.6704 3555945 CMLD3_000077 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E06 compound treatment 0.088 0.61 0.54 -0.509 0.024 0.02 0.071 0.539434169278997 0.532813196481989 0.6324 0.8335 3555948 CMLD3_000078 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E07 compound treatment -0.316 0.206 0.18 -0.316 0.217 0.21 -0.5 -0.031565830721003 -0.0311783941839403 0.2068 0.7449 3555952 CMLD3_000079 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H](C)C3CCCCC3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E08 compound treatment -0.321 0.201 0.18 -0.164 0.369 0.35 0.353 0.821434169278997 0.811351950541169 0.7742 0.8584 3555954 CMLD3_000080 COc1ccc2O[C@@H]([C@@H](OC(=O)NCc3ccc4OCOc4c3)C(=O)c2c1)c5ccc(OC)c(Br)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E09 mock treatment -0.038 0.484 0.43 0.647 1.18 1.12 -0.207 0.261434169278997 0.258225346735705 1.0454 0.8496 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E10 mock treatment -0.371 0.151 0.13 -0.807 -0.274 -0.26 0.063 0.531434169278997 0.524911387856197 0.2297 0.382 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E11 compound treatment -0.115 0.407 0.36 -0.162 0.371 0.35 -0.133 0.335434169278997 0.331317076524284 0.6033 0.9994 3555958 CMLD3_000081 Brc1ccc2O[C@H]([C@H](OC(=O)NCc3ccco3)C(=O)c2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E12 compound treatment -0.034 0.488 0.43 -0.056 0.477 0.45 -0.044 0.424434169278997 0.419224697486224 0.7537 0.9994 3555962 CMLD3_000082 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E13 compound treatment -0.217 0.305 0.27 -0.077 0.456 0.43 0.015 0.483434169278997 0.477500536101442 0.6824 0.9752 3555964 CMLD3_000083 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E14 compound treatment -0.407 0.115 0.1 -0.09 0.443 0.42 -0.155 0.313434169278997 0.309587102803355 0.4814 0.9026 3555968 CMLD3_000084 CCOC(=O)OC[C@H]1O[C@H](CCc2ccccc2)CC[C@@H]1Oc3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E15 compound treatment -0.821 -0.299 -0.26 -0.444 0.089 0.08 -0.583 -0.114565830721003 -0.113159658676536 -0.1687 -0.5635 3555972 CMLD3_000085 CC(C)(C)c1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E16 compound treatment -0.38 0.142 0.13 -0.082 0.451 0.43 -0.437 0.031434169278997 0.0310483487441744 0.3387 0.7546 3555975 CMLD3_000086 CC(C)(C)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc3ccccc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E17 mock treatment -0.109 0.413 0.37 0.208 0.741 0.71 0.255 0.723434169278997 0.714554794875213 1.0312 0.9647 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E18 mock treatment 0.165 0.687 0.61 0.293 0.826 0.79 0.06 0.528434169278997 0.521948209621524 1.1066 0.9854 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E19 compound treatment -0.47 0.0524 0.05 -0.16 0.373 0.36 -0.26 0.208434169278997 0.20587586458983 0.3508 0.8488 3555978 CMLD3_000087 C[C@H](O)CCCCCCC/C=C/C=C/C(=O)N 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E20 compound treatment -0.072 0.45 0.4 -0.14 0.393 0.37 -0.293 0.175434169278997 0.173280904008437 0.5461 0.9524 3555982 CMLD3_000088 CC1(C)O[C@H]([C@@H](O1)C(O)(c2cccc3c4ccccc4oc23)c5cccc6c7ccccc7oc56)C(O)(c8cccc9c%10ccccc%10oc89)c%11cccc%12c%13ccccc%13oc%11%12 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E21 mock treatment -0.18 0.342 0.3 0.083 0.616 0.59 -0.182 0.286434169278997 0.282918498691306 0.677 0.9423 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E22 compound treatment 0.342 0.864 0.76 0.205 0.738 0.7 -0.029 0.439434169278997 0.434040588659584 1.0978 0.9753 3555987 CMLD3_000089 COC(=O)N[C@@H](c1cccc(C)c1)[C@@]2(CCCC2=O)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E23 compound treatment -1.614 -1.09 -0.97 -1.351 -0.818 -0.78 -0.984 -0.515565830721003 -0.509237816044378 -1.3011 -0.9703 3555990 CMLD3_000090 CC1(CC2(C)C(CC1=O)c3ccc(cc3)C(F)(F)F)C=C2/C=C/c4ccc(cc4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 E24 mock treatment 0.089 0.611 0.54 0.19 0.723 0.69 0.066 0.534434169278997 0.527874566090869 1.0146 0.9923 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F01 mock treatment -0.208 0.314 0.28 -0.294 0.239 0.23 -0.286 0.182434169278997 0.180194986556005 0.396 0.9851 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F02 mock treatment -0.019 0.503 0.45 -0.154 0.379 0.36 0.092 0.560434169278997 0.553555444124694 0.7851 0.9852 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F03 compound treatment -0.395 0.127 0.11 -0.352 0.181 0.17 -0.319 0.149434169278997 0.147600025974612 0.2498 0.9858 3555993 CMLD3_000091 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3cccc(OC)c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F04 compound treatment 0.627 1.15 1.02 0.097 0.63 0.6 0.047 0.515434169278997 0.509107770604612 1.2272 0.9547 3555995 CMLD3_000092 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F05 compound treatment -0.75 -0.228 -0.2 0.194 0.727 0.69 -0.482 -0.013565830721003 -0.0133993247759075 0.276 0.3826 3555997 CMLD3_000093 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F06 mock treatment 0.284 0.806 0.71 -0.172 0.361 0.34 0.025 0.493434169278997 0.487377796883683 0.8916 0.9591 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F07 compound treatment -0.42 0.102 0.09 -0.182 0.351 0.33 0.044 0.512434169278997 0.50614459236994 0.5376 0.8765 3555999 CMLD3_000094 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3cc(OC)ccc3C2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F08 compound treatment 0.507 1.03 0.91 0.361 0.894 0.85 0.625 1.093434169279 1.08001344381811 1.6407 0.9948 3556000 CMLD3_000095 COc1ccc2O[C@@H]([C@@H](OC(=O)N[C@H]3CCCc4ccccc34)C(=O)c2c1)c5ccc(OC)c(Br)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F09 mock treatment -0.13 0.392 0.35 0.015 0.548 0.52 -0.019 0.449434169278997 0.443917849441825 0.758 0.9869 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F10 mock treatment -0.065 0.457 0.4 -0.03 0.503 0.48 0.231 0.699434169278997 0.690849368997836 0.909 0.9743 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F11 mock treatment -0.103 0.419 0.37 -0.027 0.506 0.48 0.045 0.513434169278997 0.507132318448164 0.7852 0.9916 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F12 compound treatment -0.672 -0.15 -0.13 -0.949 -0.416 -0.4 -1.082 -0.613565830721003 -0.606034971710334 -0.655 -0.8899 3556002 CMLD3_000096 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F13 compound treatment -0.372 0.15 0.13 -0.451 0.082 0.08 -0.5 -0.031565830721003 -0.0311783941839403 0.1039 0.6602 3556004 CMLD3_000097 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F14 compound treatment -0.426 0.0964 0.09 -0.31 0.223 0.21 0.034 0.502434169278997 0.496267331587699 0.4584 0.8388 3556006 CMLD3_000098 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(Br)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F15 compound treatment -0.775 -0.253 -0.22 -0.855 -0.322 -0.31 -0.737 -0.268565830721003 -0.265269474723039 -0.4591 -0.9918 3556008 CMLD3_000099 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(F)cc3F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F16 compound treatment -0.379 0.143 0.13 -0.081 0.452 0.43 -0.116 0.352434169278997 0.348108419854093 0.5228 0.9203 3556010 CMLD3_000100 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccc(F)cc3F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F17 mock treatment -0.119 0.403 0.36 -0.218 0.315 0.3 0.073 0.541434169278997 0.534788648638437 0.688 0.9697 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F18 mock treatment -0.443 0.0794 0.07 -0.14 0.393 0.37 -0.171 0.297434169278997 0.29378348555177 0.4263 0.8862 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F19 compound treatment -1.191 -0.669 -0.59 -1.078 -0.545 -0.52 -0.814 -0.345565830721003 -0.34132438274629 -0.838 -0.9773 3556012 CMLD3_000101 COc1ccccc1/C=C/C(O)C(=C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F20 compound treatment 0.129 0.651 0.58 -0.175 0.358 0.34 0.141 0.609434169278997 0.601954021957672 0.877 0.9742 3556014 CMLD3_000102 COCn1c2ccccc2c3nnc(nc13)C(=O)OC(C)C#C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F21 compound treatment -0.051 0.471 0.42 -0.4 0.133 0.13 -0.368 0.100434169278997 0.0992014481416335 0.3711 0.8306 3556015 CMLD3_000103 CCCCCCC1=Cc2cc(OC)c(OC)cc2C(O1)C3(CCCC3=O)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F22 compound treatment -0.136 0.386 0.34 0.0 0.533 0.51 0.2 0.668434169278997 0.660229860572891 0.8716 0.9682 1952239 CMLD3_000104 O=C1/C(=C/c2ccccc2)/Oc3ccccc13 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F23 compound treatment 0.877 1.4 1.24 0.811 1.34 1.28 0.887 1.355434169279 1.33879767631281 2.2265 0.9995 3556016 CMLD3_000105 Cc1c2OCOc2ccc1O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 F24 compound treatment -0.2 0.322 0.29 -0.205 0.328 0.31 -0.176 0.292434169278997 0.28884485516065 0.5118 0.9992 3556017 CMLD3_000106 COC(=O)N[C@H](C(C(=O)C)C(=O)OC)c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G01 compound treatment 0.33 0.852 0.75 -0.661 -0.128 -0.12 -0.545 -0.076565830721003 -0.0756260677040224 0.3211 0.4185 3556019 CMLD3_000107 COc1ccc2O[C@H]([C@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G02 mock treatment -0.282 0.24 0.21 -0.392 0.141 0.13 -0.025 0.443434169278997 0.437991492972481 0.4532 0.8973 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G03 mock treatment 0.121 0.643 0.57 0.214 0.747 0.71 0.012 0.480434169278997 0.47453735786677 1.0133 0.9864 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G04 mock treatment 0.07 0.592 0.52 0.071 0.604 0.58 -0.074 0.394434169278997 0.389592915139502 0.8596 0.9878 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G05 compound treatment 0.197 0.719 0.64 0.19 0.723 0.69 0.212 0.680434169278997 0.672082573511579 1.1529 0.9995 3556020 CMLD3_000108 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(C)c(Br)c3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G06 compound treatment -0.596 -0.0736 -0.07 -0.194 0.339 0.32 -0.183 0.285434169278997 0.281930772613082 0.3117 0.7188 3556022 CMLD3_000109 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G07 compound treatment -0.421 0.101 0.09 -0.095 0.438 0.42 -0.085 0.383434169278997 0.378727928279038 0.5114 0.8961 3556024 CMLD3_000110 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G08 mock treatment 0.5 1.02 0.9 -1.095 -0.562 -0.54 0.192 0.660434169278997 0.652328051947098 0.5894 0.4766 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G09 compound treatment 0.57 1.09 0.97 0.149 0.682 0.65 0.367 0.835434169278997 0.825180115636306 1.4092 0.9876 3556025 CMLD3_000111 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G10 compound treatment 1.185 1.71 1.39 0.33 0.863 0.82 0.271 0.739434169278997 0.730358412126798 1.697 0.9588 3556027 CMLD3_000112 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(OC(F)F)cc3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G11 mock treatment -0.161 0.361 0.32 -0.133 0.4 0.38 0.286 0.754434169278997 0.745174303300158 0.8348 0.9317 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G12 compound treatment 0.105 0.627 0.55 0.164 0.697 0.66 0.534 1.002434169279 0.990130370699721 1.2753 0.9699 3556029 CMLD3_000113 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)Nc4ccc(OC(F)F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G13 compound treatment 0.382 0.904 0.8 -0.324 0.209 0.2 -0.496 -0.027565830721003 -0.0272274898710442 0.5609 0.6803 3556031 CMLD3_000114 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1Cc2cc(OC)ccc2O[C@H]1c3cccc(OC)c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G14 compound treatment -0.811 -0.289 -0.26 -0.658 -0.125 -0.12 -0.381 0.087434169278997 0.0863610091247209 -0.1662 -0.5643 3556033 CMLD3_000115 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(Br)cc3)c(c1)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G15 compound treatment -0.802 -0.28 -0.25 -0.274 0.259 0.25 -0.53 -0.061565830721003 -0.0608101765306617 -0.0353 -0.0996 3556035 CMLD3_000116 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(cc3)C(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G16 compound treatment -1.0 -0.478 -0.42 -0.812 -0.279 -0.27 -0.908 -0.439565830721003 -0.43417063409935 -0.6479 -0.9796 3556037 CMLD3_000117 COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc3ccc(F)cc3F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G17 mock treatment 0.847 1.37 1.21 0.293 0.826 0.79 0.509 0.977434169278997 0.96543721874412 1.7107 0.9849 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G18 compound treatment 0.717 1.24 1.1 0.338 0.871 0.83 0.213 0.681434169278997 0.673070299589803 1.5003 0.9803 3556038 CMLD3_000118 CC(=C)C(O)/C=C/C=C/c1ccccc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G19 mock treatment 0.018 0.54 0.48 0.526 1.06 1.01 0.034 0.502434169278997 0.496267331587699 1.1449 0.9371 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G20 mock treatment -0.017 0.505 0.45 -1.515 -0.982 -0.94 0.27 0.738434169278997 0.729370686048574 0.139 0.1097 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G21 compound treatment -0.336 0.186 0.16 0.0 0.533 0.51 -0.575 -0.106565830721003 -0.105257850050744 0.3276 0.602 3556040 CMLD3_000119 COC(=O)N[C@H](CC(=O)C)c1ccc(Cl)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G22 compound treatment 0.472 0.994 0.88 0.972 1.51 1.43 0.364 0.832434169278997 0.822216937401634 1.8101 0.9669 3556042 CMLD3_000120 CCCCCCCC1=CC2=CC(=O)C(C)(OC(=O)C)C(=O)C2=CN1CCc3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G23 compound treatment -0.448 0.0744 0.07 -0.615 -0.082 -0.08 -0.476 -0.00756583072100298 -0.00747296830656326 -0.0114 -0.1112 3556043 CMLD3_000121 CCCCCCC(=O)Cc1cc(OC)c(OC)cc1C=C(C(=O)OCC)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 G24 compound treatment -0.464 0.0584 0.05 -0.508 0.025 0.02 -0.508 -0.039565830721003 -0.0390802028097327 0.021 0.3048 3556044 CMLD3_000122 CCCCCCC(=O)Cc1cc(OC)c(OC)cc1/C=C(/C(=O)C)\C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H01 compound treatment -0.436 0.0864 0.08 -0.434 0.099 0.09 -0.487 -0.018565830721003 -0.0183379551670278 0.088 0.7167 3556046 CMLD3_000123 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc4cc(OC)c(OC)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H02 compound treatment -0.571 -0.0486 -0.04 -0.697 -0.164 -0.16 -0.435 0.033434169278997 0.0330238009006225 -0.0959 -0.5801 3556048 CMLD3_000124 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc4cc(OC)c(OC)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H03 mock treatment 0.093 0.615 0.54 -0.08 0.453 0.43 -0.053 0.415434169278997 0.410335162782207 0.8002 0.992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H04 mock treatment 0.0 0.522 0.46 0.337 0.87 0.83 0.026 0.494434169278997 0.488365522961907 1.0272 0.9625 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H05 compound treatment 0.542 1.06 0.94 -0.069 0.464 0.44 -0.119 0.349434169278997 0.34514524161942 0.9978 0.9108 3556050 CMLD3_000125 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H](C)C3CCCCC3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H06 compound treatment -0.545 -0.0226 -0.02 -0.435 0.098 0.09 -0.18 0.288434169278997 0.284893950847754 0.2069 0.6886 3556052 CMLD3_000126 COC(=O)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H07 compound treatment -0.025 0.497 0.44 0.0 0.533 0.51 -0.047 0.421434169278997 0.416261519251552 0.7874 0.9964 3556054 CMLD3_000127 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccco3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H08 compound treatment -0.25 0.272 0.24 -0.172 0.361 0.34 1.393 1.861434169279 1.54851012115301 1.2317 0.7677 3556056 CMLD3_000128 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H09 compound treatment -0.762 -0.24 -0.21 -0.139 0.394 0.38 -0.435 0.033434169278997 0.0330238009006225 0.1135 0.2626 3556058 CMLD3_000129 Brc1ccc2O[C@H]([C@H](OC(=O)NCCOc3ccccc3)C(=O)c2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H10 compound treatment -0.352 0.17 0.15 -0.243 0.29 0.28 -0.171 0.297434169278997 0.29378348555177 0.4161 0.9666 3556060 CMLD3_000130 Fc1ccc(cc1)S(=O)(=O)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H11 compound treatment -0.182 0.34 0.3 -0.288 0.245 0.23 -0.162 0.306434169278997 0.302673020255787 0.4833 0.9934 3556062 CMLD3_000131 COc1ccc2C(=O)[C@@H](OC(=O)NS(=O)(=O)c3ccc(F)cc3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H12 compound treatment -0.637 -0.115 -0.1 -0.373 0.16 0.15 0.082 0.550434169278997 0.543678183342453 0.3434 0.5987 3556064 CMLD3_000132 COc1ccc2C(=O)[C@H](OC(=O)Nc3ccc(OC(F)F)cc3)[C@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H13 mock treatment -0.167 0.355 0.31 0.011 0.544 0.52 0.7 1.168434169279 1.15409289968491 1.147 0.8799 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H14 compound treatment 0.657 1.18 1.04 -0.314 0.219 0.21 -0.312 0.156434169278997 0.15451410852218 0.8117 0.7554 3556065 CMLD3_000133 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccc(cc2)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H15 compound treatment -1.025 -0.503 -0.44 -0.916 -0.383 -0.36 -0.972 -0.503565830721003 -0.497385103105689 -0.7543 -0.9923 3556067 CMLD3_000134 Cc1cc(C)cc(C#C[C@H]2O[C@H](CO)[C@@H](Oc3ccc(cc3)C4CCCC4)C=C2)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H16 compound treatment 0.815 1.34 1.18 0.103 0.636 0.61 0.029 0.497434169278997 0.491328701196579 1.3162 0.9291 3556069 CMLD3_000135 Cc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccc(cc3)C(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H17 compound treatment -0.433 0.0894 0.08 -0.075 0.458 0.44 0.0 0.468434169278997 0.462684644928082 0.5647 0.8811 3556071 CMLD3_000136 CC(=O)c1ccc(cc1)[C@H]2O[C@H](CO)[C@@H](Oc3ccc(F)cc3C)C=C2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H18 compound treatment -0.362 0.16 0.14 -0.123 0.41 0.39 -0.103 0.365434169278997 0.360948858871005 0.5158 0.9371 3556073 CMLD3_000137 Clc1cc2nc3-c4ccccc4OC(CC=C)(c5ccccc5)c3nc2cc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H19 mock treatment 0.063 0.585 0.52 0.027 0.56 0.53 -0.02 0.448434169278997 0.442930123363601 0.8626 0.9969 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H20 mock treatment -0.405 0.117 0.1 0.618 1.15 1.1 0.039 0.507434169278997 0.501205961978819 0.9824 0.8118 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H21 compound treatment -0.168 0.354 0.31 0.623 1.16 1.1 0.28 0.748434169278997 0.739247946830814 1.2436 0.9124 3556074 CMLD3_000138 CCCc1cc2C(=O)[C@H]3O[C@H]3[C@H](O)c2c(=O)o1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H22 compound treatment -0.157 0.365 0.32 0.169 0.702 0.67 0.054 0.522434169278997 0.51602185315218 0.8706 0.9626 3556076 CMLD3_000139 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1ccc2ccccc2c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H23 mock treatment -0.043 0.479 0.42 0.0 0.533 0.51 -0.114 0.354434169278997 0.350083872010541 0.74 0.9888 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 H24 compound treatment -0.105 0.417 0.37 0.159 0.692 0.66 -0.218 0.250434169278997 0.24736035987524 0.7365 0.9264 3556078 CMLD3_000140 COC(=O)N[C@@H](c1cccc(F)c1)[C@@]2(CCCC2=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I01 compound treatment -0.233 0.289 0.26 -0.693 -0.16 -0.15 -0.046 0.422434169278997 0.417249245329776 0.3007 0.5865 3556080 CMLD3_000141 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc4cc(OC)c(OC)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I02 compound treatment -0.281 0.241 0.21 -0.485 0.048 0.05 -0.222 0.246434169278997 0.243409455562344 0.2902 0.8875 3556082 CMLD3_000142 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccco3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I03 compound treatment -1.127 -0.605 -0.53 -0.939 -0.406 -0.39 -0.433 0.035434169278997 0.0349992530570706 -0.5117 -0.7745 3555962 CMLD3_000143 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I04 mock treatment -0.068 0.454 0.4 0.357 0.89 0.85 -0.235 0.233434169278997 0.230569016545431 0.8546 0.8845 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I05 mock treatment -0.129 0.393 0.35 -0.243 0.29 0.28 -0.043 0.425434169278997 0.420212423564448 0.603 0.9861 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I06 mock treatment 0.026 0.548 0.48 0.039 0.572 0.54 0.217 0.685434169278997 0.677021203902699 0.9855 0.9902 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I07 compound treatment -0.429 0.0934 0.08 -0.345 0.188 0.18 -0.54 -0.071565830721003 -0.0706874373129021 0.1103 0.5264 3556084 CMLD3_000144 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccc4OCOc4c3)[C@@H](Oc2c1)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I08 compound treatment -0.16 0.362 0.32 -0.085 0.448 0.43 -0.074 0.394434169278997 0.389592915139502 0.6564 0.9933 3556086 CMLD3_000145 Brc1ccc2O[C@H]([C@H](OC(=O)NC3CCCC3)C(=O)c2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I09 compound treatment -0.293 0.229 0.2 -0.418 0.115 0.11 -0.4 0.068434169278997 0.067594213638464 0.2194 0.9132 3556088 CMLD3_000146 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I10 compound treatment -0.233 0.289 0.26 -0.133 0.4 0.38 -0.169 0.299434169278997 0.295758937708218 0.5385 0.9862 3556090 CMLD3_000147 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1Cc2cc(Br)ccc2O[C@H]1c3cccc(OC)c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I11 compound treatment -0.087 0.435 0.38 -0.161 0.372 0.35 0.783 1.251434169279 1.23607416417751 1.1405 0.8497 3556092 CMLD3_000148 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I12 compound treatment 0.321 0.843 0.75 -0.286 0.247 0.24 -0.295 0.173434169278997 0.171305451851989 0.6653 0.8311 3556094 CMLD3_000149 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I13 compound treatment -0.014 0.508 0.45 -0.25 0.283 0.27 0.042 0.510434169278997 0.504169140213492 0.7063 0.9711 3011535 CMLD3_000150 COCOc1cc(OC)ccc1C(=O)/C=C/c2ccc3OCOc3c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I14 compound treatment -0.217 0.305 0.27 -0.5 0.033 0.03 -0.348 0.120434169278997 0.118955969706114 0.2428 0.8181 3556096 CMLD3_000151 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccc(C)cc2C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I15 compound treatment -0.507 0.0154 0.01 -0.406 0.127 0.12 0.03 0.498434169278997 0.492316427274803 0.362 0.7138 3556098 CMLD3_000152 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(cc2)c3ccccc3)c4ccc(cc4)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I16 compound treatment -0.769 -0.247 -0.22 -0.478 0.055 0.05 -0.579 -0.110565830721003 -0.10920875436364 -0.1586 -0.6361 3556100 CMLD3_000153 Cc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc3ccc(cc3)C(C)(C)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I17 compound treatment -0.488 0.0344 0.03 -0.417 0.116 0.11 0.25 0.718434169278997 0.709616164484093 0.4911 0.6832 3556101 CMLD3_000154 Cc1cc(F)ccc1O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I18 compound treatment -0.937 -0.415 -0.37 -0.052 0.481 0.46 -0.614 -0.145565830721003 -0.143779167101481 -0.03 -0.0497 3556103 CMLD3_000155 COC(=O)N(CCc1ccc(OC)c(OC)c1)/C=C/c2ccc(OC)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I19 compound treatment -1.2 -0.678 -0.6 -0.882 -0.349 -0.33 -0.692 -0.223565830721003 -0.220821801202957 -0.6653 -0.9242 3556105 CMLD3_000156 CCCCCCC1=Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)C)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I20 compound treatment -0.768 -0.246 -0.22 -0.552 -0.019 -0.02 -0.592 -0.123565830721003 -0.122049193380552 -0.2062 -0.8259 3556106 CMLD3_000157 CC(C)(C)OC1C2C3C2C(CC(O)CC=C)C1C3CC(O)CC=C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I21 mock treatment -0.157 0.365 0.32 -0.069 0.464 0.44 -0.315 0.153434169278997 0.151550930287508 0.5293 0.9316 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I22 mock treatment -0.062 0.46 0.41 -0.113 0.42 0.4 0.14 0.608434169278997 0.600966295879448 0.813 0.9809 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I23 compound treatment -0.333 0.189 0.17 -0.315 0.218 0.21 -0.139 0.329434169278997 0.32539072005494 0.4045 0.9612 2119115 CMLD3_000158 COc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 I24 compound treatment 0.224 0.746 0.66 -0.073 0.46 0.44 -0.152 0.316434169278997 0.312550281038027 0.8145 0.9564 3556107 CMLD3_000159 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1ccc(Cl)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J01 compound treatment -0.872 -0.35 -0.31 -0.806 -0.273 -0.26 -0.711 -0.242565830721003 -0.239588596689214 -0.4669 -0.9942 3556109 CMLD3_000160 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J02 compound treatment -0.333 0.189 0.17 -0.215 0.318 0.3 0.127 0.595434169278997 0.588125856862535 0.6112 0.8956 3556112 CMLD3_000161 CCOC(=O)CNC(=O)O[C@@H]1[C@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J03 compound treatment 0.076 0.598 0.53 -0.288 0.245 0.23 -0.286 0.182434169278997 0.180194986556005 0.5443 0.8986 3556115 CMLD3_000162 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4cccc(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J04 mock treatment 0.0 0.522 0.46 0.125 0.658 0.63 0.08 0.548434169278997 0.541702731186005 0.9414 0.9924 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J05 mock treatment 0.0 0.522 0.46 -0.167 0.366 0.35 0.224 0.692434169278997 0.683935286450268 0.8629 0.9631 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J06 mock treatment -0.386 0.136 0.12 -0.246 0.287 0.27 -0.125 0.343434169278997 0.339218885150076 0.4234 0.9365 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J07 compound treatment -0.254 0.268 0.24 -0.062 0.471 0.45 -0.159 0.309434169278997 0.305636198490459 0.5726 0.9663 3556117 CMLD3_000163 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCCOc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J08 compound treatment 0.518 1.04 0.92 0.136 0.669 0.64 0.206 0.674434169278997 0.666156217042235 1.2837 0.9856 3556119 CMLD3_000164 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J09 compound treatment -0.179 0.343 0.3 -0.07 0.463 0.44 -0.15 0.318434169278997 0.314525733194475 0.6116 0.9847 3556123 CMLD3_000165 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J10 compound treatment -0.057 0.465 0.41 -0.09 0.443 0.42 -0.431 0.037434169278997 0.0369747052135187 0.5026 0.851 3556129 CMLD3_000166 COc1ccc2O[C@H]([C@H](OC(=O)NS(=O)(=O)c3ccc(F)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J11 compound treatment 0.635 1.16 1.02 0.32 0.853 0.81 0.129 0.597434169278997 0.590101309018984 1.4007 0.9769 3556130 CMLD3_000167 COc1ccc2O[C@@H]([C@@H](OC(=O)NCc3ccco3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J12 compound treatment -0.557 -0.0346 -0.03 -0.768 -0.235 -0.22 -0.695 -0.226565830721003 -0.223784979437629 -0.2761 -0.8682 3556132 CMLD3_000168 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCc4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J13 compound treatment -0.149 0.373 0.33 -0.446 0.087 0.08 -0.229 0.239434169278997 0.236495373014776 0.375 0.9048 3556134 CMLD3_000169 COCOc1ccc(OC)cc1C(=O)/C=C/c2ccc(OC)c(Br)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J14 compound treatment -0.566 -0.0436 -0.04 -0.479 0.054 0.05 -0.077 0.391434169278997 0.38662973690483 0.2307 0.5887 3556136 CMLD3_000170 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccc(F)cc2F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J15 compound treatment -0.493 0.0294 0.03 -0.632 -0.099 -0.09 -0.409 0.059434169278997 0.0587046789344477 -0.0055 -0.0482 3556138 CMLD3_000171 CCOC(=O)OC[C@H]1O[C@@H]([C@@H](C=C1)c2cc(ccc2O)c3ccccc3)c4ccc(cc4)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J16 mock treatment -0.062 0.46 0.41 0.247 0.78 0.74 0.013 0.481434169278997 0.475525083944994 0.9386 0.966 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J17 compound treatment -0.886 -0.364 -0.32 -0.731 -0.198 -0.19 -0.7 -0.231565830721003 -0.228723609828749 -0.4265 -0.9754 3556140 CMLD3_000172 COC(=O)C1(CC(=CCc2ccccc2C1C[N+](=O)[O-])C=C)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J18 mock treatment -0.493 0.0294 0.03 -0.068 0.465 0.44 -0.053 0.415434169278997 0.410335162782207 0.5077 0.84 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J19 compound treatment -1.239 -0.717 -0.63 -0.921 -0.388 -0.37 -0.717 -0.248565830721003 -0.245514953158558 -0.7209 -0.9321 3556141 CMLD3_000173 COc1cccc(/C=C/C(O)C(=C)C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J20 compound treatment 0.155 0.677 0.6 -0.147 0.386 0.37 -0.115 0.353434169278997 0.349096145932317 0.7597 0.968 3556143 CMLD3_000174 COC(=O)N1CCc2cc(OC)c(OC)cc2C1Cc3ccc(OC)cc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J21 mock treatment -0.057 0.465 0.41 0.015 0.548 0.52 0.828 1.296434169279 1.28052183769759 1.2783 0.886 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J22 mock treatment -0.238 0.284 0.25 -0.042 0.491 0.47 -0.017 0.451434169278997 0.445893301598273 0.6727 0.9701 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J23 compound treatment 0.778 1.3 1.15 0.014 0.547 0.52 0.194 0.662434169278997 0.654303504103546 1.3424 0.9442 3556144 CMLD3_000175 CCOC(=O)[C@]1(CCCC1=O)[C@@H](NC(=O)OC)c2cccc(C)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 J24 compound treatment -0.071 0.451 0.4 -0.035 0.498 0.47 0.052 0.520434169278997 0.514046400995732 0.8012 0.9947 3556146 CMLD3_000176 OC[C@@H]1CCCN1C(=O)/C=C/c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K01 compound treatment -0.542 -0.0196 -0.02 -0.496 0.037 0.04 -0.528 -0.059565830721003 -0.0588347243742136 -0.0236 -0.3332 3556148 CMLD3_000177 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NC4CCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K02 compound treatment -0.168 0.354 0.31 1.699 2.23 1.6 -0.099 0.369434169278997 0.364899763183901 1.3135 0.7876 3556150 CMLD3_000178 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3cccc(c3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K03 compound treatment 0.221 0.743 0.66 -0.022 0.511 0.49 -0.022 0.446434169278997 0.440954671207153 0.9151 0.9848 3556152 CMLD3_000179 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccc4OCOc4c3)[C@@H](Oc2c1)c5cccc(c5)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K04 mock treatment 0.155 0.677 0.6 0.198 0.731 0.7 0.052 0.520434169278997 0.514046400995732 1.0447 0.9925 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K05 compound treatment 0.187 0.709 0.63 0.391 0.924 0.88 0.25 0.718434169278997 0.709616164484093 1.2801 0.99 3011485 CMLD3_000180 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3cccc(c3)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K06 compound treatment -0.536 -0.0136 -0.01 -0.554 -0.021 -0.02 -0.475 -0.00656583072100297 -0.00648524222833922 -0.0222 -0.9181 3556154 CMLD3_000181 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc4ccc(C)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K07 mock treatment 0.033 0.555 0.49 0.397 0.93 0.89 -0.103 0.365434169278997 0.360948858871005 1.0035 0.9331 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K08 mock treatment 0.138 0.66 0.58 -0.804 -0.271 -0.26 -0.244 0.224434169278997 0.221679481841415 0.3161 0.4677 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K09 compound treatment -0.218 0.304 0.27 -0.122 0.411 0.39 0.0 0.468434169278997 0.462684644928082 0.6486 0.978 3556156 CMLD3_000182 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc4ccc(OC(F)F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K10 compound treatment -0.053 0.469 0.42 -0.28 0.253 0.24 -0.085 0.383434169278997 0.378727928279038 0.5975 0.9772 3556158 CMLD3_000183 COc1ccc2O[C@H]([C@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K11 compound treatment -0.484 0.0384 0.03 -0.905 -0.372 -0.35 -0.743 -0.274565830721003 -0.271195831192383 -0.3415 -0.7632 3556159 CMLD3_000184 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCCc4ccc(OC)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K12 compound treatment -0.039 0.483 0.43 -0.098 0.435 0.41 0.042 0.510434169278997 0.504169140213492 0.7771 0.9961 3556161 CMLD3_000185 COc1ccc2O[C@H]([C@H](OC(=O)NCc3ccc4OCOc4c3)C(=O)c2c1)c5ccc(OC)c(Br)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K13 mock treatment -0.431 0.0914 0.08 0.539 1.07 1.02 -0.136 0.332434169278997 0.328353898289612 0.8259 0.7677 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K14 compound treatment -0.561 -0.0386 -0.03 -0.764 -0.231 -0.22 -0.337 0.131434169278997 0.129820956566579 -0.0718 -0.2784 3556162 CMLD3_000186 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)c2cc(C)cc(C)c2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K15 mock treatment -0.194 0.328 0.29 0.024 0.557 0.53 -0.119 0.349434169278997 0.34514524161942 0.6733 0.9667 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K16 mock treatment 0.169 0.691 0.61 0.288 0.821 0.78 0.077 0.545434169278997 0.538739552951333 1.1156 0.9877 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K17 compound treatment -0.013 0.509 0.45 0.423 0.956 0.91 0.189 0.657434169278997 0.649364873712426 1.1608 0.9626 3556164 CMLD3_000187 COC(=O)N[C@H](CC(=O)C)c1cccc(C)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K18 compound treatment 0.197 0.719 0.64 0.1 0.633 0.6 0.123 0.591434169278997 0.584174952549639 1.0527 0.9994 3556166 CMLD3_000188 COC(=O)N[C@H](CC(=O)C)c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K19 compound treatment 0.113 0.635 0.56 0.343 0.876 0.83 0.294 0.762434169278997 0.753076111925951 1.241 0.9875 3556168 CMLD3_000189 COc1ccc(OC)c(c1)[C@@H]2OCCC=C[C@H]2C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K20 compound treatment 0.0 0.522 0.46 -0.899 -0.366 -0.35 0.335 0.803434169278997 0.793572881133137 0.5236 0.5331 3556170 CMLD3_000190 CC1=C(C)CC(C(C1)C(=O)c2ccccc2O)c3ccccc3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K21 mock treatment 0.726 1.25 1.1 -0.187 0.346 0.33 0.011 0.479434169278997 0.473549631788546 1.101 0.884 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K22 compound treatment -0.112 0.41 0.36 -0.644 -0.111 -0.11 -0.189 0.279434169278997 0.276004416143737 0.3078 0.6578 3556171 CMLD3_000191 CCCCCCC1=Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)C)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K23 mock treatment 0.054 0.576 0.51 -0.136 0.397 0.38 -0.041 0.427434169278997 0.422187875720896 0.7564 0.9923 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 K24 mock treatment 0.055 0.577 0.51 -0.136 0.397 0.38 0.0 0.468434169278997 0.462684644928082 0.7803 0.9927 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L01 mock treatment -0.186 0.336 0.3 -0.175 0.358 0.34 -0.274 0.194434169278997 0.192047699494694 0.4795 0.9754 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L02 compound treatment -0.479 0.0434 0.04 -0.109 0.424 0.4 -0.398 0.070434169278997 0.0695696657949121 0.2956 0.7179 3556172 CMLD3_000192 COc1ccc2O[C@H]([C@H](OC(=O)NCc3ccco3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L03 mock treatment -0.293 0.229 0.2 -0.03 0.503 0.48 -0.2 0.268434169278997 0.265139429283273 0.5469 0.9364 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L04 mock treatment 0.075 0.597 0.53 0.066 0.599 0.57 -0.091 0.377434169278997 0.372801571809694 0.8497 0.9853 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L05 compound treatment -0.575 -0.0526 -0.05 -0.713 -0.18 -0.17 -0.598 -0.129565830721003 -0.127975549849897 -0.1997 -0.9122 3556173 CMLD3_000193 O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L06 compound treatment -0.724 -0.202 -0.18 -0.4 0.133 0.13 -0.18 0.288434169278997 0.284893950847754 0.1348 0.3753 3556175 CMLD3_000194 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc4ccc(OC(F)F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L07 mock treatment 0.154 0.676 0.6 0.384 0.917 0.87 -0.113 0.355434169278997 0.351071598088765 1.0524 0.9435 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L08 mock treatment 1.272 1.79 1.4 0.028 0.561 0.53 -0.319 0.149434169278997 0.147600025974612 1.2044 0.7979 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L09 compound treatment -0.657 -0.135 -0.12 -0.338 0.195 0.19 -0.573 -0.104565830721003 -0.103282397894296 -0.021 -0.0863 3556177 CMLD3_000195 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L10 compound treatment -0.196 0.326 0.29 0.042 0.575 0.55 -0.013 0.455434169278997 0.449844205911169 0.7426 0.9703 3556179 CMLD3_000196 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc4ccc(C)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L11 compound treatment -0.465 0.0574 0.05 -0.23 0.303 0.29 -0.2 0.268434169278997 0.265139429283273 0.3491 0.8832 3556181 CMLD3_000197 COC(=O)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L12 compound treatment -0.326 0.196 0.17 0.108 0.641 0.61 -0.141 0.327434169278997 0.323415267898492 0.6396 0.8976 3556182 CMLD3_000198 COc1ccc2C(=O)[C@H](OC(=O)NCc3ccc4OCOc4c3)[C@H](Oc2c1)c5ccc6OCOc6c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L13 compound treatment -0.686 -0.164 -0.14 -1.0 -0.467 -0.44 -0.744 -0.275565830721003 -0.272183557270607 -0.4975 -0.9192 3556183 CMLD3_000199 CCCCCCC#C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L14 compound treatment -0.544 -0.0216 -0.02 -0.393 0.14 0.13 0.381 0.849434169278997 0.839008280731443 0.5504 0.6477 3556185 CMLD3_000200 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(cc2)C(C)(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L15 mock treatment 3.206 3.73 1.62 -0.149 0.384 0.37 -0.378 0.090434169278997 0.089324187359393 1.2003 0.7201 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L16 mock treatment -0.232 0.29 0.26 -0.221 0.312 0.3 -0.616 -0.147565830721003 -0.145754619257929 0.2357 0.5626 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L17 compound treatment 2.366 2.89 1.55 1.206 1.74 1.51 1.346 1.814434169279 1.53827422561463 2.6562 0.9999 3556187 CMLD3_000201 COC(=O)CC1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L18 compound treatment -0.435 0.0874 0.08 0.101 0.634 0.6 -0.333 0.135434169278997 0.133771860879475 0.4706 0.7548 3556189 CMLD3_000202 COC(=O)C1=NOC2(C1)C=C(Br)C(=C(Br)C2=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L19 compound treatment -0.366 0.156 0.14 -0.525 0.00805 0.01 1.321 1.789434169279 1.53268523868155 0.9692 0.6298 3556190 CMLD3_000203 O=C1OC(=NC21CC2)C3=CCCCC3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L20 mock treatment -0.091 0.431 0.38 0.281 0.814 0.78 0.138 0.606434169278997 0.598990843723 1.0138 0.9641 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L21 compound treatment -0.513 0.00945 0.01 -0.384 0.149 0.14 1.973 2.441434169279 1.65163859893704 1.0404 0.6276 3556191 CMLD3_000204 CCCCCCC1Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)OCC)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L22 compound treatment -0.337 0.185 0.16 -0.388 0.145 0.14 -0.373 0.095434169278997 0.0942628177505133 0.2289 0.9771 3556192 CMLD3_000205 COC(=O)[C@@H](OCc1ccccc1)/C=C/[C@H](C)Cc2cc(Br)cc(OCc3ccccc3)c2OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L23 mock treatment -0.032 0.49 0.43 -0.015 0.518 0.49 -0.104 0.364434169278997 0.359961132792781 0.7431 0.992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 L24 mock treatment 0.303 0.825 0.73 -0.171 0.362 0.34 0.195 0.663434169278997 0.65529123018177 0.9988 0.9607 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M01 mock treatment -0.143 0.379 0.34 -0.211 0.322 0.31 -0.392 0.076434169278997 0.0754960222642564 0.4144 0.8992 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M02 compound treatment -0.329 0.193 0.17 -0.293 0.24 0.23 0.216 0.684434169278997 0.676033477824475 0.6211 0.8463 3556194 CMLD3_000206 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M03 compound treatment -0.309 0.213 0.19 -0.278 0.255 0.24 -0.174 0.294434169278997 0.290820307317098 0.4171 0.9853 3556196 CMLD3_000207 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3cccc(OC)c3)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M04 compound treatment -0.395 0.127 0.11 -0.597 -0.064 -0.06 -0.522 -0.053565830721003 -0.0529083679048693 -7.0E-4 -0.0048 3556198 CMLD3_000208 COc1ccc2C(=O)[C@@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M05 compound treatment 0.053 0.575 0.51 0.093 0.626 0.6 0.154 0.622434169278997 0.614794460974584 0.993 0.9968 3556199 CMLD3_000209 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H](C)C4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M06 compound treatment -0.222 0.3 0.27 0.262 0.795 0.76 -0.17 0.298434169278997 0.294771211629994 0.7608 0.8898 3556201 CMLD3_000210 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C4CCCCC4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M07 compound treatment -0.667 -0.145 -0.13 -0.635 -0.102 -0.1 -0.412 0.056434169278997 0.0557415006997756 -0.0977 -0.5748 3556203 CMLD3_000211 COc1ccc2C(=O)[C@@H](OC(=O)NCCc3ccc(OC)c(OC)c3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M08 compound treatment 0.125 0.647 0.57 0.091 0.624 0.59 -0.208 0.260434169278997 0.257237620657481 0.8222 0.9512 3556205 CMLD3_000212 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(OC)cc3C2=O)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M09 mock treatment -0.104 0.418 0.37 -0.14 0.393 0.37 -0.078 0.390434169278997 0.385642010826606 0.6524 0.9998 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M10 mock treatment 0.085 0.607 0.54 0.06 0.593 0.56 -0.098 0.370434169278997 0.365887489262125 0.8475 0.9842 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M11 compound treatment -0.286 0.236 0.21 -0.377 0.156 0.15 -0.211 0.257434169278997 0.254274442422808 0.3533 0.9782 3556206 CMLD3_000213 COc1ccc2O[C@@H]([C@@H](OC(=O)NCCc3ccc(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M12 compound treatment 0.167 0.689 0.61 -0.017 0.516 0.49 0.048 0.516434169278997 0.510095496682836 0.9303 0.9954 2060493 CMLD3_000214 COc1ccc2c(=O)c(coc2c1)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M13 mock treatment -0.091 0.431 0.38 -0.286 0.247 0.24 -0.148 0.320434169278997 0.316501185350923 0.5388 0.982 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M14 mock treatment -0.362 0.16 0.14 -0.236 0.297 0.28 -0.038 0.430434169278997 0.425151053955568 0.4907 0.9258 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M15 mock treatment 0.151 0.673 0.6 0.093 0.626 0.6 0.292 0.760434169278997 0.751100659769503 1.1217 0.9937 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M16 mock treatment -0.169 0.353 0.31 -0.157 0.376 0.36 -0.265 0.203434169278997 0.20093723419871 0.5033 0.9751 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M17 compound treatment -0.184 0.338 0.3 -0.103 0.43 0.41 -0.048 0.420434169278997 0.415273793173328 0.649 0.99 3556208 CMLD3_000215 COC(=O)N[C@@H](c1ccccc1)[C@@]2(CCCC2=O)C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M18 compound treatment -0.538 -0.0156 -0.01 -0.342 0.191 0.18 -0.611 -0.142565830721003 -0.140815988866809 0.0158 0.0687 3556210 CMLD3_000216 COc1ccc(/C=C/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M19 compound treatment -0.133 0.389 0.34 0.013 0.546 0.52 0.1 0.568434169278997 0.561457252750486 0.8233 0.9809 3556212 CMLD3_000217 CCOP(=O)(CC(C(O)c1ccccc1)C(=O)C)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M20 compound treatment 1.477 2.0 1.44 2.175 2.71 1.66 1.96 2.428434169279 1.64970647007347 2.7425 0.998 3556213 CMLD3_000218 CCOC(=O)[C@]1(CCCC1=O)[C@@H](NC(=O)OC)/C=C/c2ccco2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M21 compound treatment -0.255 0.267 0.24 -0.1 0.433 0.41 0.0 0.468434169278997 0.462684644928082 0.6418 0.9674 3556215 CMLD3_000219 CC1(C)O[C@H]([C@@H](O1)C(O)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(O)(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M22 compound treatment -0.527 -0.00455 0.0 -0.689 -0.156 -0.15 -0.358 0.110434169278997 0.109078708923874 -0.0251 -0.1363 3556217 CMLD3_000220 COC(=O)[C@]1(CCCC1=O)[C@@H](NC(=O)O/C=C/C)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M23 compound treatment 0.626 1.15 1.02 0.256 0.789 0.75 0.563 1.031434169279 1.01877442696822 1.6084 0.991 3556219 CMLD3_000221 CC1(O)C(=O)C=C2C=C(CCCCOCc3ccccc3)OC=C2C1=O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 M24 compound treatment -0.709 -0.187 -0.16 -0.31 0.223 0.21 -0.597 -0.128565830721003 -0.126987823771673 -0.0459 -0.1542 3556220 CMLD3_000222 COC(=O)N[C@H](/C(=C(\C)/NCc1ccccc1)/C(=O)OC)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N01 compound treatment -0.215 0.307 0.27 -0.035 0.498 0.47 -0.301 0.167434169278997 0.165379095382644 0.5263 0.9214 3556222 CMLD3_000223 COc1ccc2C(=O)[C@@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N02 mock treatment -0.25 0.272 0.24 -0.132 0.401 0.38 -0.081 0.387434169278997 0.382678832591934 0.5806 0.9808 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N03 compound treatment -0.26 0.262 0.23 -0.436 0.097 0.09 -0.295 0.173434169278997 0.171305451851989 0.2862 0.9451 3556224 CMLD3_000224 COc1ccc2O[C@@H]([C@@H](OC(=O)Nc3ccc(OC(F)F)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N04 compound treatment 0.369 0.891 0.79 0.244 0.777 0.74 -0.024 0.444434169278997 0.438979219050705 1.1359 0.9733 3556226 CMLD3_000225 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3[C@H](O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N05 compound treatment -0.063 0.459 0.41 0.5 1.03 0.98 0.02 0.488434169278997 0.482439166492563 1.0812 0.925 3556228 CMLD3_000226 COc1ccc2O[C@@H]([C@@H](O)C(=O)c2c1)c3ccc(OC)c(Br)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N06 compound treatment -0.373 0.149 0.13 0.032 0.565 0.54 -0.158 0.310434169278997 0.306623924568683 0.5641 0.8905 3556229 CMLD3_000227 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(OC)cc3C2=O)c4cccc(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N07 compound treatment -0.316 0.206 0.18 -0.508 0.025 0.02 -0.556 -0.087565830721003 -0.0864910545644869 0.0692 0.3403 3556231 CMLD3_000228 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCCc4ccc(OC)c(OC)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N08 compound treatment -1.073 -0.551 -0.49 -0.552 -0.019 -0.02 -0.658 -0.189565830721003 -0.187239114543339 -0.3995 -0.7657 3556233 CMLD3_000229 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCCOc4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N09 mock treatment -0.141 0.381 0.34 -0.074 0.459 0.44 -0.179 0.289434169278997 0.285881676925978 0.6122 0.9845 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N10 mock treatment -0.136 0.386 0.34 -0.068 0.465 0.44 0.016 0.484434169278997 0.478488262179666 0.7293 0.9907 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N11 mock treatment -0.029 0.493 0.44 -0.066 0.467 0.44 0.0 0.468434169278997 0.462684644928082 0.7759 0.9997 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N12 compound treatment 0.811 1.33 1.18 0.482 1.02 0.97 0.323 0.791434169278997 0.781720168194448 1.6903 0.9865 3556235 CMLD3_000230 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NCc4ccco4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N13 mock treatment -0.187 0.335 0.3 0.591 1.12 1.07 -0.106 0.362434169278997 0.357985680636333 0.9961 0.8533 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N14 mock treatment -0.426 0.0964 0.09 -0.12 0.413 0.39 -0.087 0.381434169278997 0.37675247612259 0.4939 0.8958 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N15 compound treatment -0.912 -0.39 -0.34 -0.682 -0.149 -0.14 -0.652 -0.183565830721003 -0.181312758073995 -0.3854 -0.9304 3556237 CMLD3_000231 CC(=O)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/c3ccc(Cl)cc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N16 compound treatment -0.764 -0.242 -0.21 0.039 0.572 0.54 -0.107 0.361434169278997 0.356997954558109 0.3974 0.5797 3556239 CMLD3_000232 CCCCC#C[C@H]1O[C@H](CO)[C@@H](Oc2ccc(OC)cc2)C=C1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N17 compound treatment 0.254 0.776 0.69 0.274 0.807 0.77 -0.018 0.450434169278997 0.444905575520049 1.0971 0.9773 3556241 CMLD3_000233 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1cccc(c1)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N18 compound treatment 0.033 0.555 0.49 -0.243 0.29 0.28 0.2 0.668434169278997 0.660229860572891 0.8242 0.9496 3556243 CMLD3_000234 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1cccs1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N19 compound treatment 0.407 0.929 0.82 -0.121 0.412 0.39 0.128 0.596434169278997 0.589113582940759 1.0412 0.96 3556191 CMLD3_000235 CCCCCCC1Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)OCC)C(=O)OCC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N20 compound treatment -0.389 0.133 0.12 -0.27 0.263 0.25 -0.201 0.267434169278997 0.264151703205049 0.3653 0.9544 3556245 CMLD3_000236 COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)C)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N21 mock treatment -0.066 0.456 0.4 -0.068 0.465 0.44 0.95 1.418434169279 1.40102441924092 1.2977 0.8516 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N22 compound treatment -1.72 -1.2 -1.06 -1.987 -1.45 -1.39 -2.0 -1.531565830721 -1.51276751152001 -2.2844 -0.9897 3556247 CMLD3_000237 CCC1(CC2(CC)C(CC1=O)c3ccccc3)C=C2/C=C/c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N23 compound treatment -0.594 -0.0716 -0.06 -0.214 0.319 0.3 -0.809 -0.340565830721003 -0.33638575235517 -0.0553 -0.1207 3556249 CMLD3_000238 CC1(CC2(C)C(CC1=O)c3ccc(F)cc3)C=C2/C=C/c4ccc(F)cc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 N24 mock treatment 0.219 0.741 0.66 0.103 0.636 0.61 0.286 0.754434169278997 0.745174303300158 1.1585 0.9963 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O01 compound treatment -0.609 -0.0866 -0.08 -0.581 -0.048 -0.05 2.479 2.947434169279 1.71725620454851 0.9209 0.5355 3556251 CMLD3_000239 COc1ccc2O[C@@H]([C@@H](OC(=O)N[C@H](C)C3CCCCC3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O02 compound treatment -0.239 0.283 0.25 -0.638 -0.105 -0.1 -0.115 0.353434169278997 0.349096145932317 0.2885 0.6539 3556253 CMLD3_000240 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O03 compound treatment 0.553 1.08 0.95 0.261 0.794 0.76 0.438 0.906434169278997 0.895308667190213 1.5026 0.9956 3556254 CMLD3_000241 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H]3CCCc4ccccc34)[C@@H](Oc2c1)c5cccc(c5)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O04 compound treatment -0.42 0.102 0.09 -0.696 -0.163 -0.16 -0.609 -0.140565830721003 -0.138840536710361 -0.1175 -0.5173 3556256 CMLD3_000242 COc1ccc2C(=O)[C@H](OC(=O)Nc3ccc(C)c(Br)c3)[C@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O05 compound treatment -0.042 0.48 0.42 0.083 0.616 0.59 0.635 1.103434169279 1.08989070460035 1.2133 0.9271 3131449 CMLD3_000243 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O06 compound treatment 0.159 0.681 0.6 -0.04 0.493 0.47 0.07 0.538434169278997 0.531825470403765 0.9261 0.9949 3556257 CMLD3_000244 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O07 mock treatment 0.442 0.964 0.85 0.319 0.852 0.81 0.178 0.646434169278997 0.638499886851962 1.3296 0.9928 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O08 mock treatment 0.355 0.877 0.78 -0.832 -0.299 -0.28 -0.083 0.385434169278997 0.380703380435486 0.5032 0.5531 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O09 mock treatment -0.295 0.227 0.2 0.257 0.79 0.75 -0.133 0.335434169278997 0.331317076524284 0.7419 0.8764 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O10 compound treatment -0.24 0.282 0.25 -0.179 0.354 0.34 -0.393 0.075434169278997 0.0745082961860324 0.3819 0.8961 3556259 CMLD3_000245 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O11 mock treatment 0.02 0.542 0.48 0.273 0.806 0.77 0.013 0.481434169278997 0.475525083944994 0.9948 0.9728 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O12 mock treatment 0.109 0.631 0.56 0.442 0.975 0.93 0.231 0.699434169278997 0.690849368997836 1.2575 0.9784 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O13 compound treatment -0.704 -0.182 -0.16 -0.686 -0.153 -0.15 -0.368 0.100434169278997 0.0992014481416335 -0.1195 -0.5013 3556261 CMLD3_000246 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O14 compound treatment -0.38 0.142 0.13 -0.562 -0.029 -0.03 -0.556 -0.087565830721003 -0.0864910545644869 0.0068 0.0441 3556263 CMLD3_000247 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(C)cc2C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O15 compound treatment -0.345 0.177 0.16 -0.345 0.188 0.18 -0.376 0.092434169278997 0.0912996395158411 0.2467 0.9674 3556265 CMLD3_000248 CC(=O)c1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/c3ccc(Cl)cc3)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O16 compound treatment -0.45 0.0724 0.06 -0.481 0.052 0.05 -0.333 0.135434169278997 0.133771860879475 0.1428 0.9134 3556008 CMLD3_000249 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(F)cc3F)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O17 compound treatment 0.264 0.786 0.7 0.173 0.706 0.67 0.212 0.680434169278997 0.672082573511579 1.1778 0.9999 3556266 CMLD3_000250 CC(=CCC1(CC=C(C)C)C(=O)C(=C2OC(C)(C)CCC2(CC=C(C)C)C1=O)C(=O)c3ccccc3)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O18 compound treatment -0.029 0.493 0.44 -0.282 0.251 0.24 -0.017 0.451434169278997 0.445893301598273 0.6474 0.969 3556267 CMLD3_000251 CC1(CC2(C)C(CC1=O)/C=C/c3ccccc3)C=C2/C=C/C=C/c4ccccc4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O19 compound treatment -0.194 0.328 0.29 -0.026 0.507 0.48 -0.714 -0.245565830721003 -0.242551774923886 0.3065 0.4995 1125649 CMLD3_000252 CNc1ccccc1C(=O)OCC(=O)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O20 mock treatment 0.198 0.72 0.64 -1.112 -0.579 -0.55 0.303 0.771434169278997 0.761965646629967 0.4892 0.4307 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O21 mock treatment -0.24 0.282 0.25 0.0 0.533 0.51 -0.121 0.347434169278997 0.343169789462972 0.6355 0.9602 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O22 compound treatment 0.127 0.649 0.57 0.309 0.842 0.8 -0.089 0.379434169278997 0.374777023966142 1.011 0.9581 3556269 CMLD3_000253 CNc1ccccc1C(=O)OCC(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O23 compound treatment 0.066 0.588 0.52 0.392 0.925 0.88 0.143 0.611434169278997 0.60392947411412 1.1578 0.9744 3556270 CMLD3_000254 COc1ccc(/C=C/NC(=O)c2ccc(OC)cc2)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 O24 compound treatment -0.289 0.233 0.21 -0.276 0.257 0.24 -0.237 0.231434169278997 0.228593564388983 0.3925 0.9976 3556272 CMLD3_000255 COC(=O)N[C@H](/C(=C(\C)/NCc1ccccc1)/C(=O)OC)c2ccc(Cl)cc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P01 compound treatment 0.74 1.26 1.12 -0.059 0.474 0.45 0.146 0.614434169278997 0.606892652348792 1.2555 0.9312 3556274 CMLD3_000256 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3cccc(c3)C(F)(F)F)C(C)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P02 mock treatment -0.16 0.362 0.32 -0.075 0.458 0.44 -0.437 0.031434169278997 0.0310483487441744 0.4549 0.8388 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P03 mock treatment -0.707 -0.185 -0.16 -0.176 0.357 0.34 -0.697 -0.228565830721003 -0.225760431594077 -0.0282 -0.0641 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P04 compound treatment -0.622 -0.0996 -0.09 -0.019 0.514 0.49 -0.542 -0.073565830721003 -0.0726628894693502 0.19 0.3778 3556276 CMLD3_000257 COc1ccc2O[C@@H]([C@@H](OC(=O)Nc3ccc(C)c(Br)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P05 compound treatment -0.765 -0.243 -0.21 -0.566 -0.033 -0.03 -0.665 -0.196565830721003 -0.194153197090908 -0.254 -0.873 3011477 CMLD3_000258 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P06 compound treatment -0.381 0.141 0.13 -0.987 -0.454 -0.43 -0.548 -0.079565830721003 -0.0785892459386945 -0.2229 -0.4877 3556277 CMLD3_000259 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3cccc(OC)c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P07 compound treatment 0.033 0.555 0.49 -0.02 0.513 0.49 -0.283 0.185434169278997 0.183158164790677 0.6714 0.9369 3556279 CMLD3_000260 COc1ccc2O[C@H]([C@H](OC(=O)NCCc3ccc(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P08 compound treatment -0.393 0.129 0.11 -0.1 0.433 0.41 0.074 0.542434169278997 0.535776374716661 0.6136 0.8947 3556280 CMLD3_000261 COc1ccc2C(=O)[C@@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P09 mock treatment -0.276 0.246 0.22 -0.618 -0.085 -0.08 1.184 1.652434169279 1.50012075005145 0.9452 0.6226 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P10 compound treatment -0.022 0.5 0.44 -0.11 0.423 0.4 0.929 1.397434169279 1.38028217159822 1.285 0.8542 3556282 CMLD3_000262 COc1ccc2C(=O)[C@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)[C@H](Oc2c1)c4ccc5OCOc5c4 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P11 mock treatment -0.067 0.455 0.4 -0.046 0.487 0.46 -0.355 0.113434169278997 0.112041887158546 0.565 0.9048 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P12 mock treatment 0.355 0.877 0.78 -0.123 0.41 0.39 0.037 0.505434169278997 0.499230509822371 0.9616 0.9599 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P13 compound treatment -0.245 0.277 0.25 -0.235 0.298 0.28 -0.333 0.135434169278997 0.133771860879475 0.3828 0.9609 3556284 CMLD3_000263 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)c2ccccc2 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P14 compound treatment -0.853 -0.331 -0.29 -0.736 -0.203 -0.19 -0.596 -0.127565830721003 -0.126000097693449 -0.3531 -0.9482 3556286 CMLD3_000264 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(F)cc2F 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P15 compound treatment -0.434 0.0884 0.08 -0.584 -0.051 -0.05 -0.557 -0.088565830721003 -0.0874787806427109 -0.0334 -0.2629 3556288 CMLD3_000265 Cc1cc(C)cc(/C=C/[C@@H]2OC[C@@H](O)[C@H]2Oc3ccc(cc3)C4CCCC4)c1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P16 compound treatment 0.02 0.542 0.48 0.048 0.581 0.55 -0.528 -0.059565830721003 -0.0588347243742136 0.5625 0.7656 3556289 CMLD3_000266 Cc1cc(F)ccc1O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccc4OCOc4c3 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P17 compound treatment -0.505 0.0174 0.02 -0.614 -0.081 -0.08 -0.469 -5.65830721002969E-4 -5.58885758994946E-4 -0.0359 -0.457 3556073 CMLD3_000267 Clc1cc2nc3-c4ccccc4OC(CC=C)(c5ccccc5)c3nc2cc1Cl 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P18 compound treatment 0.944 1.47 1.3 -0.086 0.447 0.43 0.348 0.816434169278997 0.806413320150049 1.46 0.9211 3556291 CMLD3_000268 COc1ccc(cc1)C(=O)Oc2cc(OC)cc(OC)c2C(=O)C 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P19 compound treatment -0.91 -0.388 -0.34 -1.036 -0.503 -0.48 -0.653 -0.184565830721003 -0.182300484152219 -0.5797 -0.9401 3556292 CMLD3_000269 CC(=C)C(O)/C=C/c1ccc(Br)cc1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P20 mock treatment -0.125 0.397 0.35 0.102 0.635 0.6 -0.488 -0.019565830721003 -0.0193256812452518 0.541 0.773 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P21 compound treatment 0.521 1.04 0.92 0.514 1.05 1.0 0.278 0.746434169278997 0.737272494674366 1.5342 0.9925 3556294 CMLD3_000270 COC(=O)N[C@@H](/C=C/c1ccco1)[C@@]2(CCCC2=O)C(=O)OC 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P22 compound treatment 0.756 1.28 1.13 -0.011 0.522 0.5 1.09 1.558434169279 1.47566851407875 1.7917 0.9311 3556296 CMLD3_000271 CC1(C)O[C@H]([C@@H](O1)C(O)(c2cc(F)c(F)c(F)c2)c3cc(F)c(F)c(F)c3)C(O)(c4cc(F)c(F)c(F)c4)c5cc(F)c(F)c(F)c5 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P23 compound treatment 0.015 0.537 0.48 0.893 1.43 1.36 0.421 0.889434169278997 0.878517323860404 1.5659 0.9287 3556298 CMLD3_000272 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1ccco1 1130.0001 ManualSNR(1130.0001) Human Hb-EGF 1130.0001.2284 P24 mock treatment 0.019 0.541 0.48 0.047 0.58 0.55 -0.216 0.252434169278997 0.249335812031688 0.7394 0.9572