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 COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A01 compound treatment 8.6194 3.62 3.43 5.9967 1.22 1.09 3.1939 0.8877 1965040 CMLD1_000001 CCCC=C(CCC)[C@@H](NC(=O)c1ccccc1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A02 compound treatment 8.9978 4.0 3.79 5.6967 0.919 0.82 3.2579 0.8406 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A03 compound treatment 8.4582 3.46 3.28 4.6819 -0.0963 -0.09 2.2565 0.6883 1965042 CMLD1_000003 CCCC=C(CCC)[C@@H](NC(=O)c1cccs1)c2ccc(cc2)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A04 compound treatment 7.61 2.61 2.47 4.3485 -0.43 -0.38 1.4784 0.5905 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A05 compound treatment 9.1656 4.17 3.95 4.7666 -0.0116 -0.01 2.7835 0.7053 1965044 CMLD1_000005 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A06 compound treatment 7.4079 2.41 2.28 4.7673 -0.0109 -0.01 1.6074 0.7041 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A07 compound treatment 7.2713 2.28 2.15 4.8275 0.0493 0.04 1.5539 0.7214 1965046 CMLD1_000007 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)c3ccc(cc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A08 compound treatment 8.5563 3.56 3.37 4.4703 -0.308 -0.27 2.1887 0.6473 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A09 compound treatment 2.3787 -2.62 -2.48 1.4686 -3.31 -2.95 -3.8399 -0.9962 1965048 CMLD1_000009 CCCCC=C[C@@H](NC(=O)Oc1cccc(c1)C(F)(F)F)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A10 compound treatment 7.0772 2.08 1.97 5.0844 0.306 0.27 1.5861 0.7976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A11 compound treatment 7.5791 2.58 2.44 6.255 1.48 1.32 2.6606 0.9579 1965050 CMLD1_000011 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3cccs3)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A12 compound treatment 5.8039 0.808 0.76 4.7061 -0.0721 -0.06 0.4951 0.6453 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A13 compound treatment 7.2116 2.22 2.1 5.6993 0.921 0.82 2.064 0.9164 1965052 CMLD1_000013 CCCC=C(CCC)[C@@H](NC(=O)OCC(C)C)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A14 compound treatment 7.9123 2.92 2.76 7.9006 3.12 2.79 3.9217 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A15 compound treatment 7.316 2.32 2.2 5.2532 0.475 0.42 1.8524 0.8283 1965054 CMLD1_000015 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A16 compound treatment 5.2817 0.285 0.27 4.7742 -0.004 0.0 0.1886 0.6977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A17 compound treatment 4.605 -0.391 -0.37 4.2887 -0.489 -0.44 -0.5707 -0.9966 1965056 CMLD1_000017 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c2ccc(cc2)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A18 compound treatment 7.0102 2.01 1.91 7.9525 3.17 2.83 3.3507 0.9814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A19 compound treatment 6.1653 1.17 1.11 4.9678 0.19 0.17 0.9021 0.8058 1965058 CMLD1_000019 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A20 compound treatment 5.7053 0.709 0.67 5.0074 0.229 0.2 0.6192 0.8825 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A21 compound treatment 4.3263 -0.67 -0.63 3.5846 -1.19 -1.06 -1.2014 -0.9693 1965060 CMLD1_000021 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A22 mock treatment 5.821 0.825 0.78 4.8198 0.0416 0.04 0.5783 0.7399 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A23 mock treatment 5.895 0.899 0.85 4.2906 -0.488 -0.43 0.294 0.3077 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 A24 mock treatment 4.2786 -0.718 -0.68 4.5769 -0.201 -0.18 -0.6073 -0.8643 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B01 compound treatment 9.0774 4.08 3.86 5.1698 0.392 0.35 2.9788 0.7679 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B02 compound treatment 10.4741 5.48 5.19 6.4193 1.64 1.46 4.702 0.8727 1965062 CMLD1_000023 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B03 compound treatment 9.0956 4.1 3.88 4.7039 -0.0743 -0.07 2.697 0.6949 1965063 CMLD1_000024 COCCn1c(cc2[C@H]3[C@H](CN(C(=O)c4ccccc4)[C@@]3(Cc5ccccc5)C(=O)OC)Cc21)C(=O)N6CCCC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B04 compound treatment 6.8775 1.88 1.78 4.1997 -0.578 -0.52 0.8943 0.4823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B05 compound treatment 8.966 3.97 3.76 4.5254 -0.253 -0.23 2.4977 0.6635 1965065 CMLD1_000026 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B06 compound treatment 3.2738 -1.72 -1.63 1.7998 -2.98 -2.66 -3.0319 -0.9725 1965066 CMLD1_000027 CC(NP(=O)(c1ccccc1)c2ccccc2)C3(CC(=C)c4ccccc4)CC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B07 compound treatment 8.8144 3.82 3.61 6.0023 1.22 1.09 3.328 0.8814 1965067 CMLD1_000028 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B08 compound treatment 9.7258 4.73 4.48 5.6344 0.856 0.76 3.7059 0.816 1965068 CMLD1_000029 COC(=O)C1(C)NCC2=C(C)C(=O)C(C)C2=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B09 compound treatment 7.4427 2.45 2.32 4.3559 -0.422 -0.38 1.3711 0.5844 1965069 CMLD1_000030 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCF 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B10 compound treatment 9.2078 4.21 3.99 5.3627 0.585 0.52 3.1878 0.7929 1965070 CMLD1_000031 COC(=O)C1(Cc2ccccc2)NCC3=C(C(C)C)C(=O)C(C)C3=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B11 compound treatment 8.1504 3.15 2.99 5.2244 0.446 0.4 2.3927 0.7944 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B12 compound treatment 7.4767 2.48 2.35 5.178 0.4 0.36 1.9125 0.8053 1965072 CMLD1_000033 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1CCc5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B13 compound treatment 6.5132 1.52 1.44 4.2659 -0.512 -0.46 0.6922 0.4593 1965073 CMLD1_000034 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CC7CC7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B14 compound treatment 7.2491 2.25 2.13 6.6255 1.85 1.65 2.6734 0.9919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B15 compound treatment 7.6954 2.7 2.56 5.0849 0.307 0.27 2.0002 0.7784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B16 compound treatment 6.6202 1.62 1.54 4.5245 -0.254 -0.23 0.9269 0.5966 1965076 CMLD1_000037 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccc(F)cc5)C=C21)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B17 compound treatment 6.6602 1.66 1.58 5.319 0.541 0.48 1.4549 0.8832 1965077 CMLD1_000038 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B18 compound treatment 6.2037 1.21 1.14 4.6946 -0.0835 -0.07 0.7555 0.6596 1965078 CMLD1_000039 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B19 compound treatment 7.6696 2.67 2.53 4.9853 0.207 0.18 1.9201 0.7567 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B20 compound treatment 6.7117 1.72 1.62 4.6879 -0.0903 -0.08 1.0913 0.6712 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B21 compound treatment 5.5468 0.551 0.52 5.1954 0.417 0.37 0.6318 0.9864 1965081 CMLD1_000042 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B22 mock treatment 5.9421 0.946 0.9 5.0706 0.292 0.26 0.8176 0.8767 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B23 mock treatment 6.178 1.18 1.12 4.4078 -0.37 -0.33 0.5573 0.4778 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 B24 mock treatment 5.2201 0.224 0.21 4.6981 -0.08 -0.07 0.0994 0.4443 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C01 compound treatment 8.9098 3.91 3.7 5.1631 0.385 0.34 2.8624 0.7694 1965082 CMLD1_000043 CCCC=C(CCC)[C@@H](NS(=O)(=O)CC1(CCC2CC1=O)C2(C)C)c3ccc(cc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C02 compound treatment 15.32 10.3 9.77 6.8526 2.07 1.85 8.2189 0.8263 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C03 compound treatment 6.0226 1.03 0.97 3.4842 -1.29 -1.15 -0.1294 -0.0857 1965084 CMLD1_000045 CCCC=C(CCC)[C@@H](NC(=O)CCc1ccccc1)c2ccc(cc2)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C04 compound treatment 7.9167 2.92 2.76 4.4764 -0.302 -0.27 1.7644 0.6352 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C05 compound treatment 6.9348 1.94 1.84 4.1623 -0.616 -0.55 0.909 0.4745 1965086 CMLD1_000047 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C06 compound treatment 7.8022 2.81 2.66 4.1102 -0.668 -0.6 1.4567 0.5351 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C07 compound treatment 4.1012 -0.895 -0.85 3.4711 -1.31 -1.17 -1.4237 -0.9877 1965088 CMLD1_000049 CCCCC=C[C@@H](NC(=O)CCc1ccccc1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C08 compound treatment 7.8177 2.82 2.67 4.3259 -0.452 -0.4 1.6032 0.5935 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C09 compound treatment 5.1246 0.128 0.12 3.0514 -1.73 -1.54 -1.0034 -0.6493 1965090 CMLD1_000051 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4cccc(Cl)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C10 compound treatment 8.37 3.37 3.19 4.2691 -0.509 -0.45 1.9371 0.6005 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C11 compound treatment 7.8672 2.87 2.72 5.0502 0.272 0.24 2.0933 0.7672 1965092 CMLD1_000053 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3ccccc3)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C12 compound treatment 7.5153 2.52 2.38 4.556 -0.222 -0.2 1.546 0.6461 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C13 compound treatment 6.0652 1.07 1.01 5.2797 0.502 0.45 1.0319 0.9327 1965094 CMLD1_000055 CCCCC=C[C@@H](NC(=O)c1ccccc1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C14 compound treatment 6.5313 1.54 1.45 5.6977 0.92 0.82 1.6077 0.9634 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C15 compound treatment 4.6247 -0.372 -0.35 3.4088 -1.37 -1.22 -1.1126 -0.8751 1965096 CMLD1_000057 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C16 compound treatment 5.6238 0.628 0.59 4.5435 -0.235 -0.21 0.272 0.4319 1965097 CMLD1_000058 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C17 compound treatment 4.6481 -0.348 -0.33 4.5686 -0.21 -0.19 -0.3652 -0.9639 1965098 CMLD1_000059 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NS(=O)(=O)c3cccc4cccnc34)c5ccc(cc5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C18 compound treatment 5.0568 0.0606 0.06 3.995 -0.783 -0.7 -0.4536 -0.6469 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C19 compound treatment 3.8272 -1.17 -1.11 3.6147 -1.16 -1.04 -1.5165 -0.9995 1965100 CMLD1_000061 CC(C)(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@]2(C)C[C@H]2C3CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C20 compound treatment 5.3642 0.368 0.35 4.0115 -0.767 -0.68 -0.2373 -0.3092 1965101 CMLD1_000062 CCCCC=C[C@@H](NC(=O)OCC#C)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C21 compound treatment 4.4346 -0.562 -0.53 4.0972 -0.681 -0.61 -0.8056 -0.9978 1965060 CMLD1_000063 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C22 mock treatment 4.5561 -0.44 -0.42 4.2076 -0.571 -0.51 -0.6546 -0.995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C23 mock treatment 4.6057 -0.391 -0.37 4.7946 0.0164 0.01 -0.251 -0.6785 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 C24 mock treatment 4.2945 -0.702 -0.66 4.3319 -0.446 -0.4 -0.7512 -0.97 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D01 compound treatment 8.0087 3.01 2.85 4.7167 -0.0615 -0.05 1.9776 0.6934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D02 compound treatment 9.6928 4.7 4.45 4.3699 -0.408 -0.36 2.886 0.647 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D03 compound treatment 8.6849 3.69 3.49 4.4231 -0.355 -0.32 2.245 0.6403 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D04 compound treatment 8.873 3.88 3.67 4.5736 -0.205 -0.18 2.4658 0.6711 1965105 CMLD1_000067 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5ccccc5)CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D05 compound treatment 8.4849 3.49 3.3 5.2468 0.469 0.42 2.6308 0.7903 1965106 CMLD1_000068 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7nc8ccccc8[nH]7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D06 compound treatment 8.5175 3.52 3.33 4.5302 -0.248 -0.22 2.2005 0.6587 1965107 CMLD1_000069 CC(=O)N1CC2(CC2)CC1c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D07 compound treatment 9.0893 4.09 3.87 4.5657 -0.212 -0.19 2.6056 0.6717 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D08 compound treatment 8.6417 3.65 3.45 4.6308 -0.147 -0.13 2.3471 0.6797 1965109 CMLD1_000071 COC(=O)C1(C)NCC2=C(C(=O)C(C)C2=C1)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D09 compound treatment 8.2298 3.23 3.06 4.5476 -0.231 -0.21 2.0189 0.6581 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D10 compound treatment 7.0934 2.1 1.99 4.0477 -0.73 -0.65 0.9429 0.4513 1965111 CMLD1_000073 COC(=O)C1(Cc2ccccc2)NCC3=C(C(=O)C(C)C3=C1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D11 compound treatment 5.9446 0.948 0.9 3.8883 -0.89 -0.79 0.0734 0.0613 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D12 compound treatment 6.1859 1.19 1.13 3.9932 -0.785 -0.7 0.3011 0.227 1965113 CMLD1_000075 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccco5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D13 compound treatment 4.9985 0.00223 0.0 3.9873 -0.791 -0.71 -0.4975 -0.705 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D14 compound treatment 5.0213 0.025 0.02 4.9625 0.184 0.16 0.1331 0.8007 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D15 compound treatment 5.6201 0.624 0.59 4.1171 -0.661 -0.59 5.0E-4 6.0E-4 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D16 compound treatment 5.33 0.334 0.32 4.2819 -0.496 -0.44 -0.0896 -0.1648 1965116 CMLD1_000079 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccc(F)cc6)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D17 compound treatment 4.7437 -0.253 -0.24 3.6093 -1.17 -1.04 -0.9064 -0.8472 1965117 CMLD1_000080 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D18 compound treatment 5.5938 0.598 0.57 3.8195 -0.959 -0.86 -0.2049 -0.1998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D19 compound treatment 5.5969 0.601 0.57 4.5051 -0.273 -0.24 0.2298 0.3714 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D20 compound treatment 5.8354 0.839 0.79 4.0296 -0.749 -0.67 0.0894 0.0862 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D21 compound treatment 5.094 0.0977 0.09 3.8289 -0.949 -0.85 -0.5335 -0.6261 1965121 CMLD1_000084 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCF 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D22 mock treatment 4.7328 -0.263 -0.25 3.9755 -0.803 -0.72 -0.6827 -0.9003 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D23 mock treatment 4.692 -0.304 -0.29 4.329 -0.449 -0.4 -0.487 -0.9868 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 D24 mock treatment 4.8431 -0.153 -0.14 4.2222 -0.556 -0.5 -0.4532 -0.8771 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E01 compound treatment 7.4984 2.5 2.37 4.9199 0.142 0.13 1.7642 0.7438 1965122 CMLD1_000085 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c3ccc(cc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E02 compound treatment 6.5445 1.55 1.47 4.4089 -0.369 -0.33 0.8033 0.5348 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E03 compound treatment 1.3911 -3.61 -3.41 1.0625 -3.72 -3.32 -4.7572 -0.9999 1965124 CMLD1_000087 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccc(cc2)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E04 compound treatment 5.6671 0.671 0.64 4.7054 -0.0727 -0.06 0.4032 0.6316 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E05 compound treatment 7.1813 2.19 2.07 5.233 0.455 0.41 1.7495 0.83 1965126 CMLD1_000089 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E06 compound treatment 6.1335 1.14 1.08 4.9815 0.203 0.18 0.8895 0.8148 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E07 compound treatment 5.0581 0.0619 0.06 3.5227 -1.26 -1.12 -0.7506 -0.6692 1965128 CMLD1_000091 CCCCC=C[C@@H](NC(=O)C(C)(C)C)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E08 compound treatment 6.2579 1.26 1.19 4.2415 -0.537 -0.48 0.5059 0.3932 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E09 compound treatment 7.4272 2.43 2.3 4.1623 -0.616 -0.55 1.2386 0.5235 1965130 CMLD1_000093 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)C(=O)OC)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E10 compound treatment 6.1372 1.14 1.08 4.6851 -0.0931 -0.08 0.705 0.6508 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E11 compound treatment 7.1043 2.11 2.0 4.5926 -0.186 -0.17 1.294 0.6462 1965060 CMLD1_000095 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)Cc3ccccc3)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E12 compound treatment 6.6661 1.67 1.58 4.3459 -0.432 -0.39 0.845 0.5193 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E13 compound treatment 6.0227 1.03 0.97 5.7595 0.981 0.88 1.3062 0.9987 1965133 CMLD1_000097 CCCCC=C[C@@H](NC(=O)OCc1ccccc1Cl)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E14 compound treatment 6.1622 1.17 1.1 3.9742 -0.804 -0.72 0.2733 0.2076 1965134 CMLD1_000098 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E15 compound treatment 4.8059 -0.19 -0.18 3.5876 -1.19 -1.06 -0.8785 -0.8154 1965135 CMLD1_000099 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(cc3)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E16 compound treatment 5.8771 0.881 0.83 4.2479 -0.53 -0.47 0.2551 0.2661 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E17 compound treatment 4.1592 -0.837 -0.79 4.1258 -0.652 -0.58 -0.9718 -0.9885 1965137 CMLD1_000101 CC(=CC1CCCCC1)[C@@H](NC(=O)c2cccnc2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E18 compound treatment 7.3167 2.32 2.2 6.8789 2.1 1.87 2.8785 0.9969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E19 compound treatment 5.3704 0.374 0.35 4.0598 -0.718 -0.64 -0.2028 -0.2769 1965139 CMLD1_000103 C[C@]1(C[C@H]1C2CCCCC2)[C@@H](NC(=O)c3ccc(cc3)c4ccccc4)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E20 compound treatment 4.167 -0.829 -0.78 4.4243 -0.354 -0.32 -0.7783 -0.9199 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E21 compound treatment 5.1455 0.149 0.14 5.2199 0.442 0.39 0.3786 0.9043 1965141 CMLD1_000105 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccccc2)c3cccc(Cl)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E22 mock treatment 5.617 0.621 0.59 4.9737 0.196 0.17 0.5389 0.8791 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E23 mock treatment 5.2991 0.303 0.29 4.1087 -0.669 -0.6 -0.2196 -0.3315 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 E24 mock treatment 4.544 -0.452 -0.43 4.6701 -0.108 -0.1 -0.3709 -0.8452 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F01 compound treatment 6.9 1.9 1.8 5.2367 0.459 0.41 1.5636 0.8461 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F02 compound treatment 6.4784 1.48 1.4 4.5832 -0.195 -0.17 0.8691 0.6147 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F03 compound treatment 6.7276 1.73 1.64 3.933 -0.845 -0.75 0.6257 0.3468 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F04 compound treatment 6.7977 1.8 1.71 5.2507 0.473 0.42 1.5039 0.8562 1965145 CMLD1_000109 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5cccc(OC)c5)CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F05 compound treatment 8.7978 3.8 3.6 5.1567 0.379 0.34 2.7834 0.7701 1965146 CMLD1_000110 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccn7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F06 compound treatment 8.2994 3.3 3.13 5.1601 0.382 0.34 2.452 0.7796 1965147 CMLD1_000111 CC1N(CC(O)(CC21CC2)c3ccccc3)P(=O)(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F07 compound treatment 5.6302 0.634 0.6 4.2002 -0.578 -0.52 0.0597 0.0754 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F08 compound treatment 7.043 2.05 1.94 5.4259 0.648 0.58 1.7787 0.8797 1965149 CMLD1_000113 CCCCCC1=C2CNC(C)(C=C2C(C)C1=O)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F09 compound treatment 7.175 2.18 2.06 5.2864 0.508 0.45 1.779 0.8425 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F10 compound treatment 7.5969 2.6 2.46 4.4437 -0.334 -0.3 1.5297 0.6169 1965151 CMLD1_000115 CCCCCC1=C2CNC(Cc3ccccc3)(C=C2C(C)C1=O)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F11 compound treatment 5.7657 0.769 0.73 5.5707 0.793 0.71 1.015 0.9999 1965152 CMLD1_000116 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F12 compound treatment 5.523 0.527 0.5 4.0875 -0.691 -0.62 -0.0832 -0.1049 1965153 CMLD1_000117 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccc(OC)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F13 compound treatment 2.2944 -2.7 -2.56 2.3665 -2.41 -2.15 -3.3299 -0.9963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F14 compound treatment 6.2184 1.22 1.16 5.1571 0.379 0.34 1.0571 0.8771 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F15 compound treatment 4.7635 -0.233 -0.22 4.338 -0.44 -0.39 -0.4335 -0.9627 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F16 compound treatment 4.752 -0.244 -0.23 4.2531 -0.525 -0.47 -0.4947 -0.947 1965157 CMLD1_000121 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccc(cc5)C(F)(F)F)C=C21)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F17 compound treatment 4.7733 -0.223 -0.21 4.7768 -0.00133 0.0 -0.1501 -0.7111 1965158 CMLD1_000122 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F18 compound treatment 5.7893 0.793 0.75 3.7591 -1.02 -0.91 -0.1121 -0.0951 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F19 compound treatment 5.0314 0.0352 0.03 4.6653 -0.113 -0.1 -0.0476 -0.4491 1965159 CMLD1_000124 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCSCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F20 compound treatment 4.8491 -0.147 -0.14 4.2397 -0.538 -0.48 -0.4382 -0.876 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F21 compound treatment 5.4209 0.425 0.4 4.8531 0.0749 0.07 0.3315 0.8135 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F22 mock treatment 5.318 0.322 0.3 5.1387 0.361 0.32 0.4429 0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F23 mock treatment 4.9753 -0.0209 -0.02 5.1168 0.339 0.3 0.1996 0.6593 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 F24 mock treatment 3.7463 -1.25 -1.18 4.3801 -0.398 -0.36 -1.0878 -0.8805 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G01 compound treatment 8.0996 3.1 2.94 5.5765 0.798 0.71 2.5809 0.8538 1965162 CMLD1_000127 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G02 compound treatment 8.5157 3.52 3.33 5.7236 0.945 0.84 2.9522 0.859 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G03 compound treatment 3.5704 -1.43 -1.35 2.6774 -2.1 -1.87 -2.2797 -0.987 1965164 CMLD1_000129 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccccc1)c2ccc(cc2)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G04 compound treatment 7.4609 2.46 2.33 5.454 0.676 0.6 2.0761 0.8616 1965165 CMLD1_000130 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3C(=C)C(=O)C=C3CN1C(=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G05 compound treatment 7.6661 2.67 2.53 4.0539 -0.724 -0.65 1.3302 0.5099 1965166 CMLD1_000131 CCCC=C(CCC)[C@@H](NS(=O)(=O)CC)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G06 compound treatment 8.7541 3.76 3.56 4.5633 -0.215 -0.19 2.3797 0.668 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G07 compound treatment 6.4294 1.43 1.36 4.2247 -0.554 -0.49 0.6101 0.4226 1965168 CMLD1_000133 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G08 compound treatment 3.4732 -1.52 -1.44 2.891 -1.89 -1.68 -2.21 -0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G09 compound treatment 6.0195 1.02 0.97 4.9473 0.169 0.15 0.7916 0.8075 1965170 CMLD1_000135 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccccc3C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G10 compound treatment 5.3624 0.366 0.35 4.225 -0.553 -0.49 -0.1039 -0.1723 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G11 compound treatment 7.1072 2.11 2.0 5.1042 0.326 0.29 1.6186 0.8016 1965172 CMLD1_000137 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G12 compound treatment 7.2112 2.21 2.1 4.4952 -0.283 -0.25 1.3041 0.6175 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G13 compound treatment 5.2216 0.225 0.21 4.4314 -0.347 -0.31 -0.0679 -0.1808 1965174 CMLD1_000139 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(cc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G14 compound treatment 7.527 2.53 2.4 5.3778 0.6 0.54 2.0723 0.8442 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G15 compound treatment 5.6008 0.605 0.57 4.439 -0.339 -0.3 0.1907 0.2945 1965176 CMLD1_000141 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G16 compound treatment 5.8044 0.808 0.77 4.6989 -0.0793 -0.07 0.491 0.639 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G17 compound treatment 5.0473 0.0511 0.05 5.0972 0.319 0.28 0.2355 0.8156 1965178 CMLD1_000143 CC(=CC1CCCCC1)[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G18 compound treatment 6.2958 1.3 1.23 5.6912 0.913 0.81 1.4458 0.98 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G19 compound treatment 6.0839 1.09 1.03 4.9277 0.15 0.13 0.8224 0.7921 1965180 CMLD1_000145 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccccc3C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G20 compound treatment 6.4777 1.48 1.4 5.1934 0.415 0.37 1.2535 0.8643 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G21 compound treatment 6.7286 1.73 1.64 5.0092 0.231 0.21 1.3053 0.7898 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G22 mock treatment 5.3701 0.374 0.35 6.2211 1.44 1.29 1.1606 0.8692 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G23 mock treatment 5.0548 0.0585 0.06 5.451 0.673 0.6 0.4637 0.7691 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 G24 mock treatment 5.4666 0.47 0.45 5.5779 0.8 0.71 0.8194 0.9742 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H01 compound treatment 9.0911 4.09 3.88 5.7733 0.995 0.89 3.3687 0.8471 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H02 compound treatment 7.9145 2.92 2.76 4.8564 0.0783 0.07 2.0027 0.7248 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H03 compound treatment 9.0346 4.04 3.82 5.1738 0.396 0.35 2.9527 0.7691 1965185 CMLD1_000150 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H04 compound treatment 6.7906 1.79 1.7 4.6408 -0.137 -0.12 1.1143 0.6544 1965186 CMLD1_000151 CCCC[C@H]1C[C@@H]1[C@@H]2N(C[C@](O)(CC32CC3)c4ccccc4)P(=O)(c5ccccc5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H05 compound treatment 10.6857 5.69 5.39 5.6907 0.913 0.81 4.3839 0.8049 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H06 compound treatment 5.5773 0.581 0.55 2.9249 -1.85 -1.65 -0.7803 -0.4478 1965147 CMLD1_000153 CC1N(CC(O)(CC21CC2)c3ccccc3)P(=O)(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H07 compound treatment 7.7662 2.77 2.62 4.0367 -0.741 -0.66 1.3863 0.5126 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H08 compound treatment 8.7366 3.74 3.54 5.5949 0.817 0.73 3.0189 0.8351 1965189 CMLD1_000155 CCCC1(NCC2=C(C)C(=O)C(C)C2=C1)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H09 compound treatment 8.879 3.88 3.68 6.1877 1.41 1.26 3.4882 0.8979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H10 compound treatment 7.7058 2.71 2.56 5.6483 0.87 0.78 2.3626 0.8816 1965191 CMLD1_000157 COC(=O)C1(CC(C)C)NCC2=C(C)C(=O)C(C)C2=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H11 compound treatment 7.2505 2.25 2.13 4.9673 0.189 0.17 1.6282 0.7607 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H12 compound treatment 7.1613 2.17 2.05 5.6877 0.91 0.81 2.023 0.9178 1965193 CMLD1_000159 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H13 compound treatment 6.5814 1.59 1.5 5.4019 0.624 0.56 1.4545 0.9089 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H14 compound treatment 7.8588 2.86 2.71 5.7555 0.977 0.87 2.5327 0.8897 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H15 compound treatment 5.5184 0.522 0.49 4.2746 -0.504 -0.45 0.0318 0.0476 1965196 CMLD1_000162 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(C)o7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H16 compound treatment 5.8303 0.834 0.79 5.2324 0.454 0.41 0.8448 0.952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H17 compound treatment 5.9801 0.984 0.93 4.5821 -0.196 -0.17 0.5348 0.5644 1965198 CMLD1_000164 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5[nH]c(cc35)C(=O)N6CCCC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H18 compound treatment 5.5248 0.529 0.5 4.3881 -0.39 -0.35 0.1077 0.1767 1965199 CMLD1_000165 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CC7CC7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H19 compound treatment 5.0811 0.0848 0.08 4.3178 -0.46 -0.41 -0.2336 -0.5583 1965200 CMLD1_000166 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H20 compound treatment 6.3004 1.3 1.23 5.4396 0.661 0.59 1.2902 0.9429 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H21 compound treatment 5.787 0.791 0.75 5.4605 0.682 0.61 0.9598 0.9947 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H22 mock treatment 5.5382 0.542 0.51 5.3827 0.605 0.54 0.7441 0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H23 mock treatment 5.8145 0.818 0.77 5.4205 0.642 0.57 0.9529 0.989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 H24 mock treatment 4.6547 -0.342 -0.32 5.2628 0.485 0.43 0.0771 0.1429 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I01 compound treatment 8.1049 3.11 2.94 5.4264 0.648 0.58 2.4897 0.8302 1965203 CMLD1_000169 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I02 compound treatment 4.0997 -0.897 -0.85 3.1567 -1.62 -1.45 -1.6231 -0.9677 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I03 compound treatment 3.8242 -1.17 -1.11 2.6883 -2.09 -1.86 -2.1029 -0.9692 1965205 CMLD1_000171 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I04 compound treatment 6.082 1.09 1.03 4.5957 -0.182 -0.16 0.6117 0.5878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I05 compound treatment 6.8347 1.84 1.74 3.5676 -1.21 -1.08 0.4668 0.2279 1965207 CMLD1_000173 CCCC=C(CCC)[C@@H](NC(=O)c1ccco1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I06 compound treatment 6.9651 1.97 1.86 5.1267 0.349 0.31 1.5378 0.8139 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I07 compound treatment 7.0738 2.08 1.97 4.1983 -0.58 -0.52 1.0248 0.504 1965209 CMLD1_000175 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I08 compound treatment 5.5122 0.516 0.49 4.3103 -0.468 -0.42 0.0502 0.0782 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I09 compound treatment 7.8444 2.85 2.7 4.6081 -0.17 -0.15 1.7991 0.6663 1965211 CMLD1_000177 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I10 compound treatment 5.8467 0.85 0.81 4.3227 -0.455 -0.41 0.2819 0.3126 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I11 compound treatment 3.6197 -1.38 -1.3 2.435 -2.34 -2.09 -2.3996 -0.9741 1965213 CMLD1_000179 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I12 compound treatment 5.4967 0.5 0.47 3.9862 -0.792 -0.71 -0.1647 -0.1936 1965214 CMLD1_000180 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I13 compound treatment 5.6946 0.698 0.66 3.9855 -0.793 -0.71 -0.0327 -0.0337 1965215 CMLD1_000181 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I14 compound treatment 4.8125 -0.184 -0.17 4.2773 -0.501 -0.45 -0.4389 -0.9154 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I15 compound treatment 4.5793 -0.417 -0.39 4.236 -0.542 -0.48 -0.6211 -0.9949 1965217 CMLD1_000183 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I16 compound treatment 5.9551 0.959 0.91 3.9429 -0.835 -0.75 0.1148 0.0978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I17 compound treatment 4.7266 -0.27 -0.26 3.4788 -1.3 -1.16 -1.0002 -0.8426 1965219 CMLD1_000185 COC(=O)c1ccc(cc1)[C@H](NC(=O)c2ccccc2)[C@]3(C)C[C@H]3C4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I18 compound treatment 5.2673 0.271 0.26 4.9751 0.197 0.18 0.3057 0.983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I19 compound treatment 4.7356 -0.261 -0.25 4.9972 0.219 0.2 -0.0362 -0.1151 1965221 CMLD1_000187 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccs2)c3ccccc3C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I20 compound treatment 5.8505 0.854 0.81 4.6878 -0.0904 -0.08 0.5148 0.6335 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I21 compound treatment 4.7429 -0.253 -0.24 4.8647 0.0866 0.08 -0.1149 -0.4562 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I22 mock treatment 4.8714 -0.125 -0.12 4.6658 -0.112 -0.1 -0.1544 -0.9966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I23 mock treatment 5.2494 0.253 0.24 5.3154 0.537 0.48 0.5084 0.9487 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 I24 mock treatment 5.2586 0.262 0.25 5.8667 1.09 0.97 0.8623 0.8602 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J01 compound treatment 7.0739 2.08 1.97 4.9546 0.176 0.16 1.502 0.7613 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J02 compound treatment 6.6219 1.63 1.54 5.6252 0.847 0.76 1.6225 0.9464 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J03 compound treatment 5.7877 0.791 0.75 4.6033 -0.175 -0.16 0.4194 0.5481 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J04 compound treatment 5.5243 0.528 0.5 4.6512 -0.127 -0.11 0.2733 0.5334 1965227 CMLD1_000193 CCCC[C@H]1C[C@@H]1[C@@H]2N([C@@](CO)(CC32CC3)c4ccccc4)P(=O)(c5ccccc5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J05 compound treatment 5.4686 0.472 0.45 3.5728 -1.21 -1.08 -0.4442 -0.3814 1965228 CMLD1_000194 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccsc7Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J06 compound treatment 3.5991 -1.4 -1.32 2.6542 -2.12 -1.9 -2.2752 -0.9845 1965229 CMLD1_000195 OC1(CN(CC2(CC2)C1)P(=O)(c3ccccc3)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J07 compound treatment 8.2514 3.26 3.08 4.2141 -0.564 -0.5 1.823 0.5839 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J08 compound treatment 7.5602 2.56 2.43 5.0458 0.268 0.24 1.885 0.7729 1965231 CMLD1_000197 CCCC1(NCC2=C(C(C)C)C(=O)C(C)C2=C1)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J09 compound treatment 6.478 1.48 1.4 3.8716 -0.907 -0.81 0.4198 0.2593 1965232 CMLD1_000198 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J10 compound treatment 7.0219 2.03 1.92 5.2486 0.47 0.42 1.6527 0.842 1965233 CMLD1_000199 COC(=O)C1(CC(C)C)NCC2=C(C(C)C)C(=O)C(C)C2=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J11 compound treatment 6.4033 1.41 1.33 5.2959 0.518 0.46 1.2685 0.8998 1965234 CMLD1_000200 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J12 compound treatment 5.9366 0.94 0.89 4.8951 0.117 0.1 0.7032 0.7846 1965235 CMLD1_000201 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5cccc(Cl)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J13 compound treatment 6.211 1.21 1.15 4.8553 0.0771 0.07 0.8618 0.7481 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J14 compound treatment 6.6393 1.64 1.56 5.3884 0.61 0.54 1.4848 0.901 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J15 compound treatment 4.0961 -0.9 -0.85 3.9087 -0.869 -0.78 -1.151 -0.9989 1965238 CMLD1_000204 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J16 compound treatment 5.8075 0.811 0.77 5.285 0.507 0.45 0.8628 0.9681 1965239 CMLD1_000205 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J17 compound treatment 6.0994 1.1 1.04 5.6248 0.847 0.76 1.2726 0.9874 1965240 CMLD1_000206 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J18 compound treatment 6.3318 1.34 1.26 5.3611 0.583 0.52 1.2617 0.923 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J19 compound treatment 6.0244 1.03 0.97 5.6427 0.865 0.77 1.2336 0.9934 1965242 CMLD1_000208 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccccn7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J20 compound treatment 6.158 1.16 1.1 4.7119 -0.0663 -0.06 0.7358 0.6681 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J21 compound treatment 5.4081 0.412 0.39 4.7294 -0.0488 -0.04 0.2449 0.6243 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J22 mock treatment 5.9758 0.98 0.93 5.1809 0.403 0.36 0.9098 0.9148 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J23 mock treatment 5.6211 0.625 0.59 5.3866 0.608 0.54 0.8021 0.9991 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 J24 mock treatment 4.6667 -0.33 -0.31 4.8854 0.107 0.1 -0.1529 -0.4686 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K01 compound treatment 7.9172 2.92 2.76 4.7827 0.00453 0.0 1.958 0.7081 1965245 CMLD1_000211 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K02 compound treatment 6.4441 1.45 1.37 4.0815 -0.697 -0.62 0.5296 0.3519 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K03 compound treatment 8.0985 3.1 2.94 4.6612 -0.117 -0.1 2.0027 0.6815 1965247 CMLD1_000213 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K04 compound treatment 7.4796 2.48 2.35 4.4765 -0.302 -0.27 1.4719 0.6221 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K05 compound treatment 1.9947 -3.0 -2.84 1.3887 -3.39 -3.02 -4.1474 -0.9995 1965249 CMLD1_000215 CCCC=C(CCC)[C@@H](NC(=O)C(C)(C)C)c1ccc(cc1)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K06 compound treatment 6.3322 1.34 1.26 4.3447 -0.433 -0.39 0.6208 0.4694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K07 compound treatment 7.5516 2.56 2.42 5.0183 0.24 0.21 1.8619 0.7667 1965251 CMLD1_000217 CCCCC=C[C@@H](NC(=O)c1ccc(cc1)C(=O)OC)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K08 compound treatment 7.2314 2.24 2.12 4.7843 0.00618 0.01 1.5 0.7089 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K09 compound treatment 5.1156 0.119 0.11 4.2402 -0.538 -0.48 -0.2595 -0.5262 1965253 CMLD1_000219 CCCC=C(CCC)[C@@H](NC(=O)Cc1ccccc1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K10 compound treatment 6.2411 1.24 1.18 3.9955 -0.783 -0.7 0.3394 0.2478 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K11 compound treatment 4.0355 -0.961 -0.91 3.4082 -1.37 -1.22 -1.5073 -0.9894 1965255 CMLD1_000221 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K12 compound treatment 6.3839 1.39 1.31 4.0832 -0.695 -0.62 0.4904 0.3376 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K13 compound treatment 5.4914 0.495 0.47 3.9481 -0.83 -0.74 -0.1923 -0.2194 1965257 CMLD1_000223 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccco2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K14 compound treatment 4.7588 -0.237 -0.22 3.589 -1.19 -1.06 -0.9091 -0.8383 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K15 compound treatment 4.6079 -0.388 -0.37 3.9528 -0.825 -0.74 -0.7807 -0.9485 1965259 CMLD1_000225 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccnc2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K16 compound treatment 5.3711 0.375 0.35 4.849 0.0709 0.06 0.2956 0.8202 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K17 compound treatment 4.2459 -0.75 -0.71 4.5878 -0.19 -0.17 -0.6223 -0.8522 1965261 CMLD1_000227 COC(=O)c1ccc(cc1)[C@H](NC(=O)c2ccco2)[C@]3(C)C[C@H]3C4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K18 compound treatment 4.9386 -0.0576 -0.05 4.4852 -0.293 -0.26 -0.2234 -0.8366 1965262 CMLD1_000228 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cc(F)cc8COCOc78 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K19 compound treatment 6.3503 1.35 1.28 4.4424 -0.336 -0.3 0.6945 0.5276 1965263 CMLD1_000229 CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K20 compound treatment 7.8046 2.81 2.66 5.8999 1.12 1.0 2.5874 0.9109 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K21 compound treatment 6.2105 1.21 1.15 4.4818 -0.296 -0.26 0.6258 0.5306 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K22 mock treatment 5.3342 0.338 0.32 4.8783 0.1 0.09 0.2894 0.8713 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K23 mock treatment 5.1105 0.114 0.11 5.1503 0.372 0.33 0.3113 0.8913 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 K24 mock treatment 5.1874 0.191 0.18 4.5217 -0.256 -0.23 -0.0339 -0.116 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L01 compound treatment 6.4978 1.5 1.42 5.4161 0.638 0.57 1.4076 0.9193 1965266 CMLD1_000232 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L02 compound treatment 7.6144 2.62 2.48 3.9038 -0.874 -0.78 1.2008 0.4622 1965267 CMLD1_000233 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L03 compound treatment 8.7957 3.8 3.6 4.7533 -0.0249 -0.02 2.5275 0.7027 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L04 compound treatment 7.873 2.88 2.72 4.5747 -0.203 -0.18 1.7972 0.6585 1965269 CMLD1_000235 CCCC[C@H]1C[C@@H]1[C@@H]2N([C@@H](CC32CC3)c4cccc(OC)c4)C(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L05 compound treatment 6.6135 1.62 1.53 3.9537 -0.824 -0.74 0.5623 0.3311 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L06 compound treatment 2.5069 -2.49 -2.36 2.1047 -2.67 -2.39 -3.3528 -1.0 1965271 CMLD1_000237 C=C(CC1(CNP(=O)(c2ccccc2)c3ccccc3)CC1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L07 compound treatment 7.9814 2.99 2.83 4.0034 -0.775 -0.69 1.5093 0.5188 1965272 CMLD1_000238 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L08 compound treatment 8.0 3.0 2.84 5.5723 0.794 0.71 2.5115 0.8571 1965273 CMLD1_000239 CCCC1(NCC2=C(C(=O)C(C)C2=C1)c3ccccc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L09 compound treatment 6.3488 1.35 1.28 4.398 -0.38 -0.34 0.6655 0.5025 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L10 compound treatment 6.5395 1.54 1.46 5.0236 0.245 0.22 1.1878 0.8041 1965275 CMLD1_000241 COC(=O)C1(CC(C)C)NCC2=C(C(=O)C(C)C2=C1)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L11 compound treatment 6.5151 1.52 1.44 5.5792 0.801 0.71 1.522 0.9479 1965276 CMLD1_000242 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCF 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L12 compound treatment 5.4447 0.449 0.42 4.3095 -0.469 -0.42 0.0046 0.0077 1965277 CMLD1_000243 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5cc(F)cc(F)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L13 compound treatment 5.5434 0.547 0.52 4.39 -0.388 -0.35 0.1214 0.1948 1965278 CMLD1_000244 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L14 compound treatment 6.9591 1.96 1.86 5.5813 0.803 0.72 1.8205 0.9142 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L15 compound treatment 6.0259 1.03 0.97 4.6263 -0.152 -0.14 0.5934 0.603 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L16 compound treatment 5.496 0.5 0.47 4.9421 0.164 0.15 0.438 0.8844 1965281 CMLD1_000247 CC(=C1[C@H]2C(=C(C1=O)c3ccccc3)CN4C(=O)N(CCc5ccccc5)C(=O)[C@]24Cc6ccccc6)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L17 compound treatment 5.4748 0.479 0.45 4.988 0.21 0.19 0.4527 0.9236 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L18 compound treatment 5.7223 0.726 0.69 5.3179 0.54 0.48 0.8265 0.9849 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L19 compound treatment 4.2803 -0.716 -0.68 4.1594 -0.619 -0.55 -0.8696 -0.9948 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L20 compound treatment 5.3424 0.346 0.33 4.5153 -0.263 -0.23 0.0659 0.1635 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L21 compound treatment 5.0731 0.0769 0.07 5.2831 0.505 0.45 0.37 0.8109 1965285 CMLD1_000252 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CNCC6=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L22 mock treatment 5.6366 0.64 0.61 4.5782 -0.2 -0.18 0.3024 0.4786 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L23 mock treatment 4.9831 -0.0132 -0.01 4.5393 -0.239 -0.21 -0.1595 -0.7473 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 L24 mock treatment 5.1066 0.11 0.1 3.9892 -0.789 -0.7 -0.4238 -0.5956 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M01 compound treatment 6.5991 1.6 1.52 4.463 -0.315 -0.28 0.874 0.5664 1965286 CMLD1_000253 CCCC=C(CCC)[C@@H](NC(=O)c1cccs1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M02 compound treatment 9.1547 4.16 3.94 4.9769 0.199 0.18 2.9088 0.7382 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M03 compound treatment 6.1268 1.13 1.07 3.5771 -1.2 -1.07 -0.001 -7.0E-4 1965288 CMLD1_000255 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c2ccc(cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M04 compound treatment 6.3859 1.39 1.32 4.0018 -0.776 -0.69 0.4404 0.2962 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M05 compound treatment 5.7778 0.782 0.74 4.501 -0.277 -0.25 0.3483 0.4465 1965290 CMLD1_000257 CCCC=C(CCC)[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)c3ccc(cc3)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M06 compound treatment 6.1406 1.14 1.08 3.9522 -0.826 -0.74 0.2449 0.1869 1965090 CMLD1_000258 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccc(cc2)c3ccccc3)c4cccc(Cl)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M07 compound treatment 7.5188 2.52 2.39 4.2509 -0.527 -0.47 1.3558 0.5571 1965291 CMLD1_000259 CCCCC=C[C@@H](NC(=O)c1ccco1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M08 compound treatment 5.3131 0.317 0.3 3.6111 -1.17 -1.04 -0.5242 -0.4837 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M09 compound treatment 3.9295 -1.07 -1.01 2.8493 -1.93 -1.72 -1.9309 -0.9677 1965293 CMLD1_000261 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)OCc2ccccc2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M10 compound treatment 5.9874 0.991 0.94 4.4435 -0.335 -0.3 0.4523 0.4594 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M11 compound treatment 5.4895 0.493 0.47 4.5536 -0.225 -0.2 0.1884 0.3709 1965295 CMLD1_000263 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2cccnc2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M12 compound treatment 5.5798 0.584 0.55 3.9193 -0.859 -0.77 -0.1512 -0.1601 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M13 compound treatment 3.6055 -1.39 -1.32 3.4655 -1.31 -1.17 -1.7591 -0.9983 1965297 CMLD1_000265 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M14 compound treatment 5.2756 0.279 0.26 5.0084 0.23 0.21 0.3322 0.9922 1965298 CMLD1_000266 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccsc6Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M15 compound treatment 5.6003 0.604 0.57 4.8467 0.0686 0.06 0.4476 0.7783 1965299 CMLD1_000267 CCCC[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c2cccc3cccnc23)c4ccc(cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M16 compound treatment 5.5684 0.572 0.54 4.3534 -0.425 -0.38 0.115 0.174 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M17 compound treatment 2.2636 -2.73 -2.59 2.0029 -2.78 -2.48 -3.5799 -0.9998 1965301 CMLD1_000269 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c2cccc3cccnc23)c4ccc(Cl)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M18 compound treatment 6.486 1.49 1.41 4.9411 0.163 0.15 1.1 0.7759 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M19 compound treatment 1.8188 -3.18 -3.01 2.1174 -2.66 -2.37 -3.8054 -0.9931 1965303 CMLD1_000271 CCCC=C(CCC)[C@@H](NC(=O)Oc1ccc(F)cc1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M20 compound treatment 5.6667 0.67 0.63 4.9394 0.161 0.14 0.5505 0.8459 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M21 mock treatment 5.9385 0.942 0.89 4.274 -0.504 -0.45 0.3126 0.313 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M22 mock treatment 6.8821 1.89 1.79 5.5043 0.726 0.65 1.7204 0.9059 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M23 mock treatment 5.1137 0.117 0.11 5.663 0.885 0.79 0.6368 0.7988 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 M24 mock treatment 4.5969 -0.399 -0.38 4.7827 0.00456 0.0 -0.2644 -0.6995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N01 compound treatment 5.672 0.676 0.64 4.2585 -0.52 -0.46 0.1245 0.1576 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N02 compound treatment 5.8717 0.875 0.83 4.4558 -0.322 -0.29 0.3826 0.4361 1965306 CMLD1_000274 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N03 compound treatment 4.9028 -0.0934 -0.09 4.1287 -0.649 -0.58 -0.4722 -0.8057 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N04 compound treatment 5.5409 0.545 0.52 3.9931 -0.785 -0.7 -0.1307 -0.1503 1965308 CMLD1_000276 COC(=O)c1ccc(C#CC(NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N05 compound treatment 6.832 1.84 1.74 3.3882 -1.39 -1.24 0.3518 0.1648 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N06 compound treatment 4.4 -0.596 -0.56 2.8847 -1.89 -1.69 -1.5937 -0.8947 1965310 CMLD1_000278 O=P(NCC1(CC2(CO2)c3ccccc3)CC1)(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N07 compound treatment 6.8893 1.89 1.79 4.5566 -0.222 -0.2 1.1273 0.6253 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N08 compound treatment 6.7877 1.79 1.7 3.6511 -1.13 -1.01 0.4881 0.2476 1965312 CMLD1_000280 CCCCCC1=C2CNC(CCC)(C=C2C(C)C1=O)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N09 compound treatment 6.4393 1.44 1.37 4.6368 -0.141 -0.13 0.8767 0.6391 1965313 CMLD1_000281 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CCOCC7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N10 compound treatment 6.1875 1.19 1.13 4.3226 -0.456 -0.41 0.5099 0.4254 1965314 CMLD1_000282 CCCCCC1=C2CNC(CC(C)C)(C=C2C(C)C1=O)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N11 compound treatment 5.5597 0.563 0.53 4.6571 -0.121 -0.11 0.3008 0.5527 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N12 compound treatment 7.4542 2.46 2.33 5.9418 1.16 1.04 2.3794 0.9339 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N13 compound treatment 5.8329 0.837 0.79 5.584 0.806 0.72 1.0684 0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N14 compound treatment 5.9971 1.0 0.95 5.5866 0.808 0.72 1.18 0.9909 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N15 compound treatment 5.1235 0.127 0.12 4.1275 -0.651 -0.58 -0.3253 -0.5487 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N16 compound treatment 5.625 0.629 0.6 5.0396 0.261 0.23 0.5858 0.9164 1965320 CMLD1_000288 CC1(C)C(=O)C(=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc5ccccc5)C=C21)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N17 compound treatment 6.6972 1.7 1.61 4.6258 -0.152 -0.14 1.0424 0.6451 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N18 compound treatment 6.8567 1.86 1.76 4.123 -0.655 -0.58 0.832 0.4484 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N19 compound treatment 5.8499 0.854 0.81 5.1861 0.408 0.36 0.8288 0.9351 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N20 compound treatment 5.4561 0.46 0.44 5.2286 0.45 0.4 0.5919 0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N21 mock treatment 5.6973 0.701 0.66 5.7879 1.01 0.9 1.1063 0.9887 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N22 mock treatment 5.2772 0.281 0.27 4.9664 0.188 0.17 0.3068 0.9754 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N23 mock treatment 5.6129 0.617 0.58 4.6085 -0.17 -0.15 0.3057 0.507 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 N24 mock treatment 4.3529 -0.643 -0.61 4.8137 0.0355 0.03 -0.4082 -0.6694 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O01 compound treatment 5.1346 0.138 0.13 3.5135 -1.26 -1.13 -0.7052 -0.6208 1965325 CMLD1_000293 CCCC=C(CCC)[C@@H](NC(=O)OCC(C)C)c1ccc(cc1)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O02 compound treatment 4.1463 -0.85 -0.8 3.2493 -1.53 -1.36 -1.5334 -0.9683 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O03 compound treatment 5.3601 0.364 0.34 3.1832 -1.59 -1.42 -0.7627 -0.5209 1965327 CMLD1_000295 CCCC=C(CCC)[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O04 compound treatment 5.4905 0.494 0.47 3.516 -1.26 -1.13 -0.4655 -0.3817 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O05 compound treatment 2.2639 -2.73 -2.59 1.5611 -3.22 -2.87 -3.8585 -0.9986 1965328 CMLD1_000297 CCCC=C(CCC)[C@@H](NS(=O)(=O)c1cccs1)c2ccc(cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O06 compound treatment 5.6965 0.7 0.66 3.3943 -1.38 -1.23 -0.4043 -0.2885 1965329 CMLD1_000298 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7cccc8ccccc78 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O07 compound treatment 2.6217 -2.37 -2.25 1.8775 -2.9 -2.59 -3.4194 -0.9975 1965330 CMLD1_000299 CCCCC=C[C@@H](NC(=O)c1cccs1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O08 compound treatment 4.8026 -0.194 -0.18 3.2315 -1.55 -1.38 -1.1054 -0.794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O09 compound treatment 3.1998 -1.8 -1.7 2.4253 -2.35 -2.1 -2.6868 -0.9945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O10 compound treatment 5.7773 0.781 0.74 3.5941 -1.18 -1.06 -0.2242 -0.1739 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O11 compound treatment 5.0126 0.0163 0.02 3.5118 -1.27 -1.13 -0.788 -0.6974 1965334 CMLD1_000303 CCCC=C(CCC)[C@@H](NC(=O)c1ccccc1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O12 compound treatment 4.5596 -0.437 -0.41 3.9987 -0.779 -0.7 -0.784 -0.9691 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O13 compound treatment 5.0588 0.0625 0.06 4.7956 0.0175 0.02 0.0529 0.8638 1965336 CMLD1_000305 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc2ccccc2)c3ccc(cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O14 compound treatment 7.7864 2.79 2.64 7.2103 2.43 2.17 3.402 0.9952 1965337 CMLD1_000306 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccsc7Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O15 compound treatment 4.3976 -0.599 -0.57 4.0535 -0.725 -0.65 -0.8579 -0.9978 1965338 CMLD1_000307 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O16 compound treatment 5.3163 0.32 0.3 4.1701 -0.608 -0.54 -0.1693 -0.2725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O17 compound treatment 4.5123 -0.484 -0.46 4.2896 -0.489 -0.44 -0.6322 -0.9997 1965340 CMLD1_000309 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccco2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O18 compound treatment 4.0088 -0.987 -0.93 3.687 -1.09 -0.97 -1.3494 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O19 compound treatment 3.6173 -1.38 -1.31 3.0052 -1.77 -1.58 -2.0415 -0.9954 1965342 CMLD1_000311 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2cccs2)c3ccc(Cl)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O20 compound treatment 4.0654 -0.931 -0.88 3.7745 -1.0 -0.9 -1.2563 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O21 mock treatment 3.6771 -1.32 -1.25 3.0724 -1.71 -1.52 -1.9591 -0.9952 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O22 mock treatment 3.9826 -1.01 -0.96 3.5636 -1.21 -1.08 -1.4447 -0.9982 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O23 mock treatment 4.2244 -0.772 -0.73 4.6568 -0.121 -0.11 -0.5932 -0.8031 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 O24 mock treatment 4.3856 -0.611 -0.58 4.2955 -0.483 -0.43 -0.7133 -0.9895 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P01 compound treatment 3.9321 -1.06 -1.01 3.5397 -1.24 -1.1 -1.4936 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P02 compound treatment 4.6063 -0.39 -0.37 4.2955 -0.483 -0.43 -0.5655 -0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P03 compound treatment 6.3523 1.36 1.28 4.4306 -0.348 -0.31 0.6884 0.5213 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P04 compound treatment 1.6098 -3.39 -3.21 1.2125 -3.57 -3.18 -4.5162 -1.0 1965347 CMLD1_000316 COC(=O)c1ccc(cc1)C23CC3(C2)C(NP(=O)(c4ccccc4)c5ccccc5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P05 compound treatment 3.2819 -1.71 -1.62 2.0552 -2.72 -2.43 -2.8653 -0.9808 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P06 compound treatment 5.5845 0.588 0.56 3.7504 -1.03 -0.92 -0.2547 -0.2374 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P07 compound treatment 4.381 -0.615 -0.58 3.8212 -0.957 -0.85 -1.0156 -0.9826 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P08 compound treatment 5.5997 0.603 0.57 4.1963 -0.582 -0.52 0.0369 0.0477 1965351 CMLD1_000320 COC(=O)C1(Cc2ccccc2)NCC3=C(C)C(=O)C(C)C3=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P09 compound treatment 5.3794 0.383 0.36 3.9082 -0.87 -0.78 -0.2924 -0.3412 1965352 CMLD1_000321 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P10 compound treatment 4.7036 -0.293 -0.28 3.6997 -1.08 -0.96 -0.8763 -0.8751 1965353 CMLD1_000322 CCCc1cc2C3C(CN(C(=O)c4ccccc4)C3(C)C(=O)OC)C(C)c2n1Cc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P11 compound treatment 4.6511 -0.345 -0.33 3.3937 -1.38 -1.24 -1.1045 -0.8644 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P12 compound treatment 5.4767 0.48 0.45 3.7257 -1.05 -0.94 -0.3424 -0.3281 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P13 compound treatment 4.1288 -0.867 -0.82 4.0563 -0.722 -0.64 -1.036 -0.9928 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P14 compound treatment 4.7425 -0.254 -0.24 4.5562 -0.222 -0.2 -0.3098 -0.9954 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P15 compound treatment 5.5098 0.514 0.49 4.1711 -0.607 -0.54 -0.0393 -0.0539 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P16 compound treatment 3.9386 -1.06 -1.0 3.0132 -1.76 -1.57 -1.8215 -0.9761 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P17 compound treatment 8.2963 3.3 3.12 9.0313 4.25 3.79 4.8921 0.9953 1965360 CMLD1_000329 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3C(=C)C(=O)C=C3CN1C(=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P18 compound treatment 4.2114 -0.785 -0.74 3.8565 -0.922 -0.82 -1.1068 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P19 compound treatment 4.2737 -0.723 -0.68 3.4895 -1.29 -1.15 -1.2966 -0.9692 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P20 compound treatment 3.9971 -0.999 -0.95 3.7766 -1.0 -0.89 -1.3007 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P21 mock treatment 4.2375 -0.759 -0.72 3.9378 -0.84 -0.75 -1.038 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P22 mock treatment 3.9356 -1.06 -1.0 3.5613 -1.22 -1.09 -1.4777 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P23 mock treatment 4.2414 -0.755 -0.71 4.9157 0.138 0.12 -0.4185 -0.5773 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1462 P24 mock treatment 4.0757 -0.92 -0.87 3.9683 -0.81 -0.72 -1.127 -0.9957 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A01 compound treatment 3.7391 -0.802 -0.76 4.0622 -0.728 -0.65 -0.9957 -0.997 2065621 ICCB6_000001 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A02 compound treatment 5.5215 0.981 0.93 6.2151 1.43 1.27 1.5555 0.988 2065622 ICCB6_000002 OCCCCCCCCCc1ccc(C=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A03 compound treatment 5.4298 0.889 0.84 5.5384 0.749 0.67 1.0673 0.9935 2065623 ICCB6_000003 CC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A04 compound treatment 5.3916 0.851 0.81 5.4516 0.662 0.59 0.9869 0.9884 2065624 ICCB6_000004 CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)[C@@H]1OCCCc4ccc(C=O)o4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A05 compound treatment 4.1664 -0.374 -0.35 5.0545 0.265 0.24 -0.0837 -0.1964 2065625 ICCB6_000005 Clc1ccccc1C(CC(=O)c2ccccc2)C(=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A06 compound treatment 7.5618 3.02 2.86 8.3245 3.53 3.15 4.252 0.9988 2065626 ICCB6_000006 OCCCCCCCCCCc1ccc(C=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A07 compound treatment 5.7032 1.16 1.1 4.6539 -0.136 -0.12 0.6923 0.6254 2065627 ICCB6_000007 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A08 compound treatment 6.1034 1.56 1.48 6.1361 1.35 1.2 1.8953 0.9947 2065628 ICCB6_000008 OC[C@H](COCCCc1ccc(C=O)o1)OCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A09 compound treatment 4.9598 0.419 0.4 4.5794 -0.21 -0.19 0.1477 0.3367 2065629 ICCB6_000009 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A10 compound treatment 4.6131 0.0722 0.07 6.1899 1.4 1.25 0.9317 0.7447 2065630 ICCB6_000010 OCCOCCCc1ccc(C=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A11 compound treatment 4.4152 -0.126 -0.12 5.0621 0.272 0.24 0.0877 0.3242 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A12 compound treatment 5.8639 1.32 1.25 6.6528 1.86 1.66 2.0609 0.9903 2065632 ICCB6_000012 OCc1ccc(CCc2ccc(C=O)o2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A13 compound treatment 5.2726 0.732 0.69 5.7067 0.917 0.82 1.0683 0.9966 2065633 ICCB6_000013 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A14 compound treatment 4.7967 0.256 0.24 5.6539 0.864 0.77 0.7164 0.8865 2065634 ICCB6_000014 OCCOCCOCCCc1ccc(C=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A15 compound treatment 5.6637 1.12 1.06 5.5758 0.786 0.7 1.2474 0.9796 ICCB6_000015 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A16 compound treatment 5.0345 0.494 0.47 5.97 1.18 1.05 1.075 0.9331 2065635 ICCB6_000016 OCC1CC2CCN1CC2CCc3ccc(C=O)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A17 compound treatment 6.1158 1.57 1.49 5.8362 1.05 0.93 1.7144 0.9746 1952805 ICCB6_000017 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A18 compound treatment 4.7538 0.213 0.2 5.3724 0.583 0.52 0.5101 0.9149 2065636 ICCB6_000018 OCCCCNC(=O)OCCCc1ccc(C=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A19 compound treatment 4.6859 0.145 0.14 5.9831 1.19 1.06 0.85 0.7918 1952839 ICCB6_000019 Oc1ccccc1C#CC#Cc2ccccc2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A20 compound treatment 4.9897 0.449 0.42 4.9817 0.192 0.17 0.4216 0.9202 2065637 ICCB6_000020 OCCCCc1ccc(C=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A21 compound treatment 7.0931 2.55 2.42 7.25 2.46 2.2 3.2605 0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A22 compound treatment 4.8462 0.305 0.29 5.767 0.977 0.87 0.8209 0.8937 2065638 ICCB6_000022 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A23 mock treatment 5.046 0.505 0.48 4.7607 -0.029 -0.03 0.3198 0.6678 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 A24 mock treatment 4.6723 0.131 0.12 5.4076 0.618 0.55 0.4777 0.8454 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B01 compound treatment 4.4439 -0.097 -0.09 5.1866 0.397 0.35 0.1854 0.507 2065621 ICCB6_000023 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B02 compound treatment 5.8571 1.32 1.25 5.5978 0.808 0.72 1.3908 0.9662 2065639 ICCB6_000024 OB1OC(COCc2ccccc2)CC=C1C(=C)CCCc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B03 compound treatment 5.3238 0.783 0.74 5.3554 0.566 0.5 0.8809 0.9825 2065640 ICCB6_000025 CC1(C)OC(=O)C=C(CC(O)C2CCCCC2)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B04 compound treatment 5.564 1.02 0.97 6.1356 1.35 1.2 1.5339 0.9943 2065641 ICCB6_000026 CC(C)C(=C)C1=CCC(COCc2ccccc2)OB1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B05 compound treatment 1.7791 -2.76 -2.61 1.825 -2.96 -2.65 -3.719 -1.0 2065642 ICCB6_000027 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B06 compound treatment 5.2725 0.732 0.69 4.883 0.0932 0.08 0.5486 0.7864 2065643 ICCB6_000028 CCCC(=C)C1=CCC(COCc2ccccc2)OB1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B07 compound treatment 5.0379 0.497 0.47 5.3207 0.531 0.47 0.6677 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B08 compound treatment 5.4315 0.891 0.84 4.9296 0.14 0.12 0.6844 0.803 2065645 ICCB6_000030 O[C@@H]([C@H](Oc1ccccc1)C=C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B09 compound treatment 4.4493 -0.0916 -0.09 4.8893 0.0995 0.09 0.0015 0.0117 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B10 compound treatment 4.354 -0.187 -0.18 4.7919 0.00215 0.0 -0.1237 -0.6994 2065647 ICCB6_000032 O[C@H](COCc1ccccc1)[C@H](Oc2ccccc2)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B11 compound treatment 2.2332 -2.31 -2.18 2.8847 -1.91 -1.7 -2.7465 -0.9923 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B12 compound treatment 4.5453 0.00442 0.0 5.0978 0.308 0.27 0.1973 0.7178 2065649 ICCB6_000034 CC(C)C(=C)C(=O)CCC(COCc1ccccc1)OC(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B13 compound treatment 4.8821 0.341 0.32 5.2178 0.428 0.38 0.4984 0.9965 2065650 ICCB6_000035 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B14 compound treatment 5.719 1.18 1.12 5.7115 0.922 0.82 1.3701 0.9888 2065651 ICCB6_000036 CCCC(=C=CC[C@@H](OC(=O)Nc1ccc(Br)cc1)c2ccccc2)CCOC(=O)Nc3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B15 compound treatment 4.5302 -0.0107 -0.01 6.4677 1.68 1.5 1.0514 0.7023 1952458 ICCB6_000037 Fc1ccc(cc1Br)[C@@H]2C3=C(C[C@@H]4C2=CCn5n4c(=O)n(c6ccccc6)c5=O)C(=O)OC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B16 compound treatment 5.2165 0.676 0.64 5.7213 0.932 0.83 1.0399 0.9916 2065652 ICCB6_000038 CC(C)C(=C=CC[C@H](COCc1ccccc1)OC(=O)c2ccc(Br)cc2)CCOC(=O)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B17 compound treatment 4.8033 0.262 0.25 5.3728 0.583 0.52 0.5435 0.9428 1952808 ICCB6_000039 CCCCCc1cc2ccccc2o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B18 compound treatment 3.979 -0.562 -0.53 5.2087 0.419 0.37 -0.1117 -0.1719 2065653 ICCB6_000040 CC1(C)OC[C@@H](C=C)[C@H](CCc2ccccc2)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B19 compound treatment 7.9755 3.43 3.25 7.8308 3.04 2.71 4.2175 0.996 1952842 ICCB6_000041 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B20 compound treatment 4.9757 0.435 0.41 5.4485 0.659 0.59 0.7067 0.9848 2065654 ICCB6_000042 CCC[C@@]1(CCO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)O[C@@H](Cc4ccccc4)CC=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B21 compound treatment 6.1408 1.6 1.51 8.0604 3.27 2.92 3.1344 0.9533 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B22 compound treatment 4.2171 -0.324 -0.31 5.3639 0.574 0.51 0.1455 0.2438 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B23 mock treatment 4.4631 -0.0778 -0.07 4.9481 0.158 0.14 0.0478 0.3003 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 B24 mock treatment 4.6745 0.134 0.13 4.881 0.0912 0.08 0.147 0.9772 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C01 compound treatment 4.6257 0.0848 0.08 4.6352 -0.155 -0.14 -0.0407 -0.2553 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C02 compound treatment 3.8232 -0.718 -0.68 4.0313 -0.758 -0.68 -0.9589 -1.0 2065656 ICCB6_000046 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C03 compound treatment 6.0926 1.55 1.47 5.51 0.72 0.64 1.493 0.9312 2065657 ICCB6_000047 COC(=O)c1cn2c(c1C(=O)OC)c(=O)n(C)c3ccccc32 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C04 compound treatment 4.699 0.158 0.15 5.0125 0.223 0.2 0.2463 0.9902 2065658 ICCB6_000048 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@H](COC2=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C05 compound treatment 1.6793 -2.86 -2.71 1.5735 -3.22 -2.87 -3.9445 -0.9996 2065659 ICCB6_000049 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3Cl)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C06 compound treatment 4.3453 -0.196 -0.19 4.7689 -0.0208 -0.02 -0.144 -0.7742 2065660 ICCB6_000050 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C07 compound treatment 4.3669 -0.174 -0.16 4.7626 -0.0272 -0.02 -0.1336 -0.8025 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C08 compound treatment 4.6013 0.0604 0.06 4.6291 -0.161 -0.14 -0.0609 -0.3946 2065662 ICCB6_000052 CC(C)[C@@H]1N(C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2)C(=O)OC1(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C09 compound treatment 3.1372 -1.4 -1.33 3.0131 -1.78 -1.59 -2.0604 -0.9962 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C10 compound treatment 4.6699 0.129 0.12 4.9616 0.172 0.15 0.1947 0.9937 2065664 ICCB6_000054 COC(=O)[C@H](Cc1ccccc1)NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C11 compound treatment 3.1028 -1.44 -1.36 3.255 -1.53 -1.37 -1.9308 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C12 compound treatment 4.6084 0.0675 0.06 4.3198 -0.47 -0.42 -0.2513 -0.5925 2065666 ICCB6_000056 CCc1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C13 compound treatment 5.6146 1.07 1.02 5.4338 0.644 0.57 1.125 0.9636 1065064 ICCB6_000057 [O-][N+](=O)c1ccc(CBr)c(I)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C14 compound treatment 1.94 -2.6 -2.46 1.9207 -2.87 -2.56 -3.5509 -0.9998 2065667 ICCB6_000058 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C15 compound treatment 4.3356 -0.205 -0.19 4.4695 -0.32 -0.29 -0.3394 -0.9824 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C16 compound treatment 4.244 -0.297 -0.28 4.7601 -0.0296 -0.03 -0.2174 -0.7703 2065668 ICCB6_000060 COc1cccc(C)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C17 compound treatment 4.0496 -0.491 -0.47 4.754 -0.0358 -0.03 -0.3514 -0.7538 1952809 ICCB6_000061 CC(=O)Oc1ccccc1C#Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C18 compound treatment 4.0205 -0.52 -0.49 3.5659 -1.22 -1.09 -1.1204 -0.9353 2065669 ICCB6_000062 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(C#N)cc2)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C19 compound treatment 6.8184 2.28 2.16 7.4349 2.65 2.36 3.1932 0.999 1952773 ICCB6_000063 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C20 compound treatment 4.8007 0.26 0.25 4.2888 -0.501 -0.45 -0.1421 -0.2786 2065670 ICCB6_000064 CCOC(=O)CNC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C21 compound treatment 7.1784 2.64 2.5 8.8043 4.01 3.58 4.2982 0.9844 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C22 compound treatment 4.5918 0.051 0.05 4.0791 -0.711 -0.63 -0.4143 -0.6514 2065671 ICCB6_000066 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2F)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C23 mock treatment 4.7781 0.237 0.22 4.4452 -0.345 -0.31 -0.0586 -0.1538 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 C24 mock treatment 3.7968 -0.744 -0.7 4.0988 -0.691 -0.62 -0.934 -0.9978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D01 compound treatment 3.7671 -0.774 -0.73 4.2412 -0.549 -0.49 -0.864 -0.9808 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D02 compound treatment 5.7476 1.21 1.14 5.6422 0.852 0.76 1.3455 0.9805 2065673 ICCB6_000068 CC(C)[Si](OC[C@@H]1CC=C(C)B(O)O1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D03 compound treatment 4.4866 -0.0542 -0.05 3.7345 -1.06 -0.94 -0.702 -0.7445 2065674 ICCB6_000069 CCOC(=O)C1[C@H](CCc2ccccc2)O[C@H](CCc3ccccc3)CC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D04 compound treatment 5.3135 0.773 0.73 4.8876 0.0978 0.09 0.5789 0.7859 2065675 ICCB6_000070 CC(C)[Si](OC[C@H]1OB(O)CC=C1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D05 compound treatment 1.9218 -2.62 -2.48 2.0272 -2.76 -2.46 -3.4959 -1.0 2065676 ICCB6_000071 C[Si](C)(C(N[Si](=O)(=O)c1ccccc1)c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D06 compound treatment 4.7075 0.167 0.16 4.2586 -0.531 -0.47 -0.2236 -0.4476 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D07 compound treatment 4.8615 0.321 0.3 4.4361 -0.354 -0.32 -0.0085 -0.0194 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D08 compound treatment 4.9245 0.384 0.36 4.6939 -0.0958 -0.09 0.1963 0.5263 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D09 compound treatment 4.2802 -0.261 -0.25 3.2476 -1.54 -1.38 -1.1474 -0.8208 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D10 compound treatment 4.004 -0.537 -0.51 4.2189 -0.571 -0.51 -0.7195 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D11 compound treatment 3.4723 -1.07 -1.01 3.8169 -0.973 -0.87 -1.329 -0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D12 compound treatment 4.1062 -0.435 -0.41 4.4178 -0.372 -0.33 -0.5257 -0.9943 2065683 ICCB6_000078 CC(C)[Si](OCC(O)/C(=C\CO)/C)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D13 compound treatment 4.5329 -0.00796 -0.01 4.8852 0.0955 0.09 0.0549 0.642 1952278 ICCB6_000079 COC(=O)c1nc(oc1C)C(NC(=O)CCc2cn(CC=C)c3ccccc23)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D14 compound treatment 4.96 0.419 0.4 4.7935 0.00369 0.0 0.2828 0.713 2065684 ICCB6_000080 CC(C)[Si](OCC(O)/C=C\CO)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D15 compound treatment 4.1205 -0.42 -0.4 4.0142 -0.776 -0.69 -0.7706 -0.9655 2065685 ICCB6_000081 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D16 compound treatment 4.5532 0.0123 0.01 5.0875 0.298 0.27 0.1961 0.7375 2065686 ICCB6_000082 CC(C)[Si](OC[C@@H](O)[C@@]1(C)OC(C)(C)OC1CO)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D17 compound treatment 5.6939 1.15 1.09 5.6294 0.84 0.75 1.3015 0.9831 1952811 ICCB6_000083 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D18 compound treatment 3.9358 -0.605 -0.57 4.6244 -0.165 -0.15 -0.5093 -0.8611 2065687 ICCB6_000084 CC(C)[Si](OC[C@@H](O)[C@H]1OC(C)(C)OC1CO)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D19 compound treatment 7.7639 3.22 3.05 6.958 2.17 1.93 3.5252 0.9758 1952780 ICCB6_000085 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D20 compound treatment 5.2221 0.681 0.64 4.4797 -0.31 -0.28 0.2603 0.371 2065688 ICCB6_000086 CC1(C)OC(CO)[C@H](O1)[C@H](O)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D21 compound treatment 5.7585 1.22 1.15 6.231 1.44 1.29 1.7242 0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D22 compound treatment 4.2864 -0.254 -0.24 4.378 -0.412 -0.37 -0.4301 -0.9791 2065689 ICCB6_000088 C/C(=C/CO)/[C@H](O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D23 mock treatment 4.4671 -0.0738 -0.07 4.2201 -0.57 -0.51 -0.4088 -0.7968 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 D24 mock treatment 4.5573 0.0164 0.02 3.5073 -1.28 -1.14 -0.7981 -0.6974 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E01 compound treatment 3.9857 -0.555 -0.53 4.0424 -0.747 -0.67 -0.8431 -0.993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E02 compound treatment 5.1991 0.658 0.62 4.536 -0.254 -0.23 0.2804 0.423 2065691 ICCB6_000090 COc1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E03 compound treatment 3.1589 -1.38 -1.31 3.2539 -1.54 -1.37 -1.8939 -0.9997 2065692 ICCB6_000091 CCOC(=O)C1[C@@H](O[C@@H](CC1=O)c2ccccc2)C3CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E04 compound treatment 5.0157 0.475 0.45 4.9973 0.208 0.19 0.4488 0.9231 2065693 ICCB6_000092 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](O)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E05 compound treatment 2.4389 -2.1 -1.99 2.1775 -2.61 -2.33 -3.055 -0.9969 2065694 ICCB6_000093 COc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)[Si](C)(C)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E06 compound treatment 3.9193 -0.622 -0.59 4.8179 0.0281 0.03 -0.3983 -0.6764 2065695 ICCB6_000094 CC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E07 compound treatment 4.8986 0.358 0.34 5.089 0.299 0.27 0.4283 0.9931 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E08 compound treatment 6.0095 1.47 1.39 6.1537 1.36 1.22 1.8435 0.9978 2065697 ICCB6_000096 CCOC(=O)c1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E09 compound treatment 4.0421 -0.499 -0.47 4.0111 -0.779 -0.69 -0.8251 -0.9823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E10 compound treatment 5.1556 0.615 0.58 4.4182 -0.372 -0.33 0.177 0.2643 2065699 ICCB6_000098 CCCCOC(=O)c1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E11 compound treatment 4.2873 -0.254 -0.24 4.7783 -0.0115 -0.01 -0.177 -0.7366 1952474 ICCB6_000099 OCCCCCNC(CCO)Cc1ccc2ccccc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E12 compound treatment 4.7994 0.259 0.24 4.6832 -0.107 -0.1 0.1058 0.403 2065700 ICCB6_000100 COC(=O)[C@@H](NC(=O)OC/C=C/c1ccc(CCCCCCO)o1)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E13 compound treatment 5.0823 0.541 0.51 5.1969 0.407 0.36 0.6193 0.9858 1952280 ICCB6_000101 COC(=O)c1nc2oc1CC/C=C/Cn3cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)c4ccccc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E14 compound treatment 5.3264 0.786 0.74 4.4371 -0.353 -0.31 0.3033 0.3757 2065701 ICCB6_000102 COc1cccc(Cl)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E15 compound treatment 5.2945 0.754 0.71 5.2895 0.5 0.45 0.8197 0.9744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E16 compound treatment 4.3025 -0.238 -0.23 4.5621 -0.228 -0.2 -0.3032 -0.9986 2065702 ICCB6_000104 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E17 compound treatment 3.8066 -0.734 -0.7 5.3267 0.537 0.48 -0.1527 -0.1809 1952813 ICCB6_000105 OCCCC#Cc1cc(O)cc(Cl)c1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E18 compound treatment 4.3361 -0.205 -0.19 4.4873 -0.302 -0.27 -0.3279 -0.9868 2065703 ICCB6_000106 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](OC(=O)C)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E19 compound treatment 4.545 0.00413 0.0 4.97 0.18 0.16 0.1165 0.7241 3107406 ICCB6_000107 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E20 compound treatment 4.6019 0.0611 0.06 5.0838 0.294 0.26 0.2263 0.8427 2065704 ICCB6_000108 C[C@@H]([C@H](OC(=O)C)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E21 compound treatment 4.8539 0.313 0.3 5.4222 0.632 0.56 0.6086 0.9548 ICCB6_000109 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E22 compound treatment 5.0991 0.558 0.53 4.7943 0.00453 0.0 0.3765 0.7125 2065705 ICCB6_000110 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2cccc(C)c2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E23 mock treatment 4.9304 0.39 0.37 4.3976 -0.392 -0.35 0.0133 0.0262 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 E24 mock treatment 4.1568 -0.384 -0.36 4.4576 -0.332 -0.3 -0.4666 -0.9949 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F01 compound treatment 4.4296 -0.111 -0.11 4.4674 -0.322 -0.29 -0.2778 -0.9071 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F02 compound treatment 3.4484 -1.09 -1.03 3.3348 -1.45 -1.3 -1.6492 -0.9937 2065707 ICCB6_000112 CC(C)[Si](OC[C@@H](O)C(C=C)C(O)c1ccccc1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F03 compound treatment 5.4924 0.952 0.9 5.0514 0.262 0.23 0.802 0.8619 1009686 ICCB6_000113 O=C(CC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F04 compound treatment 5.0947 0.554 0.52 5.2953 0.506 0.45 0.6897 0.9972 2065708 ICCB6_000114 OC/C=C\C(O)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F05 compound treatment 4.7014 0.161 0.15 5.9184 1.13 1.01 0.8195 0.8047 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F06 compound treatment 4.5233 -0.0175 -0.02 5.3552 0.565 0.5 0.345 0.6835 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F07 compound treatment 4.408 -0.133 -0.13 4.3343 -0.455 -0.41 -0.3763 -0.8846 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F08 compound treatment 4.1712 -0.37 -0.35 5.0254 0.236 0.21 -0.0988 -0.2419 2065712 ICCB6_000118 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F09 compound treatment 2.8434 -1.7 -1.61 2.6385 -2.15 -1.92 -2.4934 -0.9961 2065713 ICCB6_000119 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F10 compound treatment 4.939 0.398 0.38 4.7743 -0.0154 -0.01 0.2568 0.6808 2065714 ICCB6_000120 C[C@@H](O)C1=CC[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F11 compound treatment 4.2304 -0.31 -0.29 4.6762 -0.114 -0.1 -0.2794 -0.8989 1952476 ICCB6_000121 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2c(Br)sc3ccc(Cl)cc23)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F12 compound treatment 5.2591 0.718 0.68 4.5215 -0.268 -0.24 0.3115 0.4321 2065715 ICCB6_000122 OC[C@@H]1[C@H]2[C@@H](CC=C1CO)C(=O)N(Cc3ccccc3)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F13 compound treatment 4.5165 -0.0244 -0.02 5.1907 0.401 0.36 0.2366 0.6601 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F14 compound treatment 4.3464 -0.194 -0.18 4.188 -0.602 -0.54 -0.5098 -0.8982 2065716 ICCB6_000124 CC1=C(CO)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F15 compound treatment 4.8608 0.32 0.3 4.3456 -0.444 -0.4 -0.0661 -0.1326 1952488 ICCB6_000125 Fc1ccc(cc1Br)[C@H]2C3=CCC4=C(C3CC5=C2C(=O)C(=CC5=O)I)C(=O)C(=CC4=O)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F16 compound treatment 4.3132 -0.228 -0.22 4.3739 -0.416 -0.37 -0.4147 -0.9666 2065717 ICCB6_000126 C/C(=C/CO)/C(O)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F17 compound treatment 2.0867 -2.45 -2.32 2.0549 -2.73 -2.44 -3.3681 -0.9997 1952814 ICCB6_000127 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F18 compound treatment 4.4624 -0.0785 -0.07 4.5447 -0.245 -0.22 -0.2071 -0.897 2065718 ICCB6_000128 CC(C)[Si](OCC1OB(O)CC=C1C)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F19 compound treatment 8.5151 3.97 3.76 6.9863 2.2 1.96 4.0459 0.9538 1952785 ICCB6_000129 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F20 compound treatment 4.4824 -0.0585 -0.06 5.1242 0.334 0.3 0.1718 0.5662 2065719 ICCB6_000130 OB1CC=C(C(O1)c2ccccc2)C(=C)COCc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F21 compound treatment 3.3548 -1.19 -1.12 3.0636 -1.73 -1.54 -1.8829 -0.9879 3107360 ICCB6_000131 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F22 compound treatment 5.3066 0.766 0.72 4.9495 0.16 0.14 0.6133 0.8303 2065720 ICCB6_000132 OC/C=C(\C(O)c1ccccc1)/C(=C)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F23 mock treatment 4.386 -0.155 -0.15 4.8271 0.0374 0.03 -0.0801 -0.5328 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 F24 mock treatment 3.6711 -0.87 -0.82 4.2779 -0.512 -0.46 -0.9051 -0.9614 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G01 compound treatment 4.2844 -0.256 -0.24 5.0837 0.294 0.26 0.0138 0.0386 2065721 ICCB6_000133 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4cccs4)C(=O)N(Cc5ccccc5)c6ccccc62 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G02 compound treatment 5.0765 0.536 0.51 5.5357 0.746 0.67 0.8291 0.991 3057351 ICCB6_000134 CC(C)C[C@H](CI)C(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G03 compound treatment 1.4029 -3.14 -2.97 1.4684 -3.32 -2.96 -4.1958 -1.0 2065722 ICCB6_000135 Clc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)C(=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G04 compound treatment 5.067 0.526 0.5 5.568 0.778 0.69 0.8431 0.9867 3057353 ICCB6_000136 CC(C)(C)OC[C@@H](O)[C@H]1O[C@H](NO)C2OC(C)(C)OC12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G05 compound treatment 5.2478 0.707 0.67 5.5751 0.785 0.7 0.9687 0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G06 compound treatment 4.9017 0.361 0.34 5.1127 0.323 0.29 0.4453 0.9964 2065724 ICCB6_000138 CC(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G07 compound treatment 4.3043 -0.237 -0.22 4.6073 -0.183 -0.16 -0.2734 -0.9878 2065725 ICCB6_000139 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G08 compound treatment 4.1769 -0.364 -0.34 4.6436 -0.146 -0.13 -0.3359 -0.9117 2065726 ICCB6_000140 CC(C)(C)[Si](C)(C)OCC1=CC(C#C)N(C=C1)C(=O)c2ccccc2Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G09 compound treatment 3.725 -0.816 -0.77 4.8689 0.0791 0.07 -0.4962 -0.6398 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G10 compound treatment 5.0778 0.537 0.51 5.0584 0.269 0.24 0.5289 0.9412 3057357 ICCB6_000142 OC(=O)c1[se]c2ccccc2c1Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G11 compound treatment 5.5879 1.05 0.99 6.0432 1.25 1.12 1.4916 0.9982 1952478 ICCB6_000143 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2ccc3ccccc3c2Br)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G12 compound treatment 5.8628 1.32 1.25 6.0079 1.22 1.09 1.6533 0.9975 3057359 ICCB6_000144 CC(C)(C)[Si](C)(C)OCC1=CC(C=C)N(C=C1)C(=O)c2[se]c3ccccc3c2Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G13 compound treatment 5.3729 0.832 0.79 5.4294 0.64 0.57 0.9604 0.9875 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G14 compound treatment 4.6209 0.08 0.08 5.0929 0.303 0.27 0.2448 0.8716 2065728 ICCB6_000146 CCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)C=CN1C(=O)c2ccccc2Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G15 compound treatment 5.3842 0.843 0.8 4.8456 0.0559 0.05 0.5997 0.7498 2065729 ICCB6_000147 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G16 compound treatment 4.9051 0.364 0.34 5.9956 1.21 1.08 1.0045 0.8892 2065730 ICCB6_000148 CC(C)(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G17 compound treatment 4.7634 0.223 0.21 4.7604 -0.0294 -0.03 0.1304 0.6143 1952760 ICCB6_000149 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G18 compound treatment 5.1185 0.578 0.55 5.7166 0.927 0.83 0.9713 0.9798 2065731 ICCB6_000150 CC(=O)N[C@@H](CI)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G19 compound treatment 4.7479 0.207 0.2 4.4622 -0.328 -0.29 -0.0681 -0.1935 1952788 ICCB6_000151 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G20 compound treatment 5.0419 0.501 0.47 5.5396 0.75 0.67 0.8084 0.9858 2065732 ICCB6_000152 COc1cc2CCN(Cc3ccccc3Br)C(C=C)c2cc1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G21 compound treatment 4.6036 0.0627 0.06 5.818 1.03 0.92 0.6907 0.7513 1952728 ICCB6_000153 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G22 compound treatment 4.9978 0.457 0.43 5.5375 0.748 0.67 0.7776 0.978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G23 mock treatment 5.0343 0.493 0.47 5.1915 0.402 0.36 0.5837 0.9914 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 G24 mock treatment 4.8211 0.28 0.27 5.3063 0.516 0.46 0.5134 0.9656 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H01 compound treatment 4.7578 0.217 0.21 5.4917 0.702 0.63 0.588 0.8922 2065734 ICCB6_000155 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4Cl)C(=O)N(Cc5ccccc5)c6ccccc62 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H02 compound treatment 4.9701 0.429 0.41 5.4679 0.678 0.61 0.7151 0.9812 2065735 ICCB6_000156 CC(=C)C1=CCB(O)OC1c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H03 compound treatment 3.0133 -1.53 -1.45 3.5411 -1.25 -1.11 -1.8102 -0.9917 2065736 ICCB6_000157 CC(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H04 compound treatment 4.4805 -0.0603 -0.06 5.3779 0.588 0.52 0.3307 0.6265 2065737 ICCB6_000158 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H05 compound treatment 5.1135 0.573 0.54 4.9274 0.138 0.12 0.4701 0.8458 2065738 ICCB6_000159 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H06 compound treatment 4.9248 0.384 0.36 5.6839 0.894 0.8 0.8211 0.9366 2065739 ICCB6_000160 CC(=C)/C(=C/CO)/C(O)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H07 compound treatment 5.0945 0.554 0.52 5.7533 0.964 0.86 0.9785 0.9718 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H08 compound treatment 5.6508 1.11 1.05 5.1047 0.315 0.28 0.9416 0.8658 2065741 ICCB6_000162 CC1=NC(C)(C)[C@@H]2CCC(=C)C1C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H09 compound treatment 2.8069 -1.73 -1.64 2.7844 -2.01 -1.79 -2.4258 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H10 compound treatment 4.7027 0.162 0.15 5.4434 0.654 0.58 0.5207 0.8636 2065743 ICCB6_000164 C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H11 compound treatment 4.6085 0.0676 0.06 4.9231 0.133 0.12 0.1294 0.9578 1952534 ICCB6_000165 C[C@H](N)C(Oc1ccccc1Br)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H12 compound treatment 5.0705 0.53 0.5 5.4923 0.702 0.63 0.7977 0.9939 2065744 ICCB6_000166 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H13 compound treatment 4.6866 0.146 0.14 4.8019 0.0122 0.01 0.1052 0.7604 1952286 ICCB6_000167 COC(=O)c1nc(oc1CCC=C)C(NC(=O)[C@H](Cc2cn(CC=C)cn2)NC(=O)OCc3ccccc3)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H14 compound treatment 4.6777 0.137 0.13 6.0434 1.25 1.12 0.8825 0.7838 2065745 ICCB6_000168 CC(C)C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H15 compound treatment 3.349 -1.19 -1.13 3.9495 -0.84 -0.75 -1.3279 -0.9803 1952677 ICCB6_000169 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H16 compound treatment 4.0621 -0.479 -0.45 6.0084 1.22 1.09 0.4484 0.3806 2065746 ICCB6_000170 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H17 compound treatment 4.6429 0.102 0.1 5.6054 0.816 0.73 0.5829 0.794 1952821 ICCB6_000171 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H18 compound treatment 4.5656 0.0247 0.02 5.0479 0.258 0.23 0.1794 0.775 2065747 ICCB6_000172 COc1cc(C[C@H]2NC(C)(C)C3CCC(=C)[C@H]2C3)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H19 compound treatment 5.8534 1.31 1.24 5.9873 1.2 1.07 1.634 0.9972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H20 compound treatment 4.3366 -0.204 -0.19 6.0732 1.28 1.15 0.673 0.5795 2065748 ICCB6_000174 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2C)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H21 compound treatment 5.0867 0.546 0.52 5.4849 0.695 0.62 0.8039 0.9959 1952730 ICCB6_000175 O=c1cc(Cc2ccccc2)c3ccccc3o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H22 compound treatment 4.2004 -0.34 -0.32 3.9458 -0.844 -0.75 -0.7603 -0.9283 2065749 ICCB6_000176 CC1(C)N=C(/C=C/2\C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H23 mock treatment 4.8358 0.295 0.28 5.2155 0.426 0.38 0.4659 0.9885 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 H24 mock treatment 5.0196 0.479 0.45 5.5243 0.735 0.66 0.7838 0.9838 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I01 compound treatment 4.3278 -0.213 -0.2 5.1152 0.325 0.29 0.0627 0.1773 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I02 compound treatment 5.0568 0.516 0.49 5.5514 0.762 0.68 0.8258 0.9869 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I03 compound treatment 4.4234 -0.117 -0.11 5.0312 0.241 0.22 0.0737 0.3041 2065752 ICCB6_000179 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Cl)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I04 compound treatment 4.172 -0.369 -0.35 5.0971 0.307 0.27 -0.053 -0.1193 2065753 ICCB6_000180 COc1cc(CN[C@@H](C)[C@H](Oc2ccccc2Br)c3ccccc3)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I05 compound treatment 3.7298 -0.811 -0.77 4.8312 0.0414 0.04 -0.5167 -0.6723 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I06 compound treatment 5.5957 1.05 1.0 4.8437 0.0539 0.05 0.7401 0.7403 2065755 ICCB6_000182 COc1cc(CN[C@H]([C@H](O)c2ccccc2)c3ccccc3)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I07 compound treatment 4.3074 -0.233 -0.22 4.5822 -0.208 -0.19 -0.2873 -0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I08 compound treatment 4.4522 -0.0886 -0.08 4.4853 -0.304 -0.27 -0.2514 -0.8843 2065757 ICCB6_000184 COc1cc(CN(Cc2ccccc2Br)[C@H]([C@H](O)c3ccccc3)c4ccccc4)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I09 compound treatment 2.5758 -1.97 -1.86 2.3754 -2.41 -2.15 -2.8386 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I10 compound treatment 4.375 -0.166 -0.16 5.3719 0.582 0.52 0.2563 0.4723 2065759 ICCB6_000186 COc1cc(CN(Cc2ccccc2Br)[C@H](C)C(Oc3ccccc3Br)c4ccccc4)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I11 compound treatment 1.3996 -3.14 -2.97 1.5457 -3.24 -2.89 -4.1492 -0.9999 1952544 ICCB6_000187 O=C1Nc2ccccc2[C@@]31[C@@H](C#N)C4N([C@H]3c5ccccc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I12 compound treatment 4.4444 -0.0964 -0.09 5.8115 1.02 0.91 0.58 0.6331 2065760 ICCB6_000188 COc1cc(CN(Cc2ccccc2Br)[C@H](C(Oc3ccccc3Br)c4ccccc4)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I13 compound treatment 4.3792 -0.162 -0.15 5.2576 0.468 0.42 0.1869 0.4205 1952288 ICCB6_000189 COC(=O)c1nc2oc1CC/C=C/Cn3cnc(C[C@H](NC(=O)OCc4ccccc4)C(=O)NC2C(C)C)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I14 compound treatment 4.505 -0.0358 -0.03 5.1348 0.345 0.31 0.1937 0.6254 2065761 ICCB6_000190 C[C@@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I15 compound treatment 5.6274 1.09 1.03 5.7636 0.974 0.87 1.3416 0.9965 1952679 ICCB6_000191 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I16 compound treatment 4.9577 0.417 0.39 5.1964 0.407 0.36 0.5355 0.9991 2065762 ICCB6_000192 C[C@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I17 compound treatment 6.1905 1.65 1.56 6.6202 1.83 1.63 2.259 0.9997 1952823 ICCB6_000193 C#Cc1ccccc1Oc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I18 compound treatment 5.6714 1.13 1.07 5.6305 0.841 0.75 1.2871 0.9849 2065763 ICCB6_000194 C[C@H](C(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2)N(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I19 compound treatment 8.8176 4.28 4.05 11.1904 6.4 5.71 6.9007 0.9858 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I20 compound treatment 5.0445 0.504 0.48 5.6931 0.903 0.81 0.907 0.9686 2065764 ICCB6_000196 C[C@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I21 compound treatment 4.2843 -0.257 -0.24 5.0297 0.24 0.21 -0.0204 -0.0629 1952746 ICCB6_000197 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I22 compound treatment 5.4742 0.933 0.88 5.6092 0.819 0.73 1.1417 0.9956 2065765 ICCB6_000198 C[C@@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I23 mock treatment 4.5673 0.0264 0.03 5.3748 0.585 0.52 0.3867 0.7401 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 I24 mock treatment 4.5723 0.0314 0.03 4.4718 -0.318 -0.28 -0.1795 -0.6295 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J01 compound treatment 5.6344 1.09 1.04 7.1782 2.39 2.13 2.2388 0.945 2065766 ICCB6_000199 COC(=O)C1=CN([C@H](c2ccccc2)[C@]31C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J02 compound treatment 4.6996 0.159 0.15 5.3299 0.54 0.48 0.447 0.8855 2065767 ICCB6_000200 CC1(C)N[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J03 compound treatment 4.5357 -0.00511 0.0 5.5933 0.804 0.72 0.5035 0.7023 2065768 ICCB6_000201 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Br)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J04 compound treatment 5.1915 0.651 0.62 6.2464 1.46 1.3 1.3545 0.9418 2065769 ICCB6_000202 CN1[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J05 compound treatment 3.8981 -0.643 -0.61 4.1547 -0.635 -0.57 -0.8309 -0.9994 2065770 ICCB6_000203 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J06 compound treatment 2.0862 -2.45 -2.32 2.1378 -2.65 -2.37 -3.3161 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J07 compound treatment 4.157 -0.384 -0.36 4.5738 -0.216 -0.19 -0.3932 -0.956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J08 compound treatment 1.408 -3.13 -2.97 2.0868 -2.7 -2.41 -3.8022 -0.9947 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J09 compound treatment 1.9845 -2.56 -2.42 2.0848 -2.7 -2.41 -3.4176 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J10 compound treatment 1.1479 -3.39 -3.21 1.3166 -3.47 -3.1 -4.4622 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J11 compound treatment 2.6942 -1.85 -1.75 3.1763 -1.61 -1.44 -2.254 -0.9953 2065776 ICCB6_000209 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J12 compound treatment 1.2636 -3.28 -3.1 1.5758 -3.21 -2.87 -4.2213 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J13 compound treatment 3.5239 -1.02 -0.96 3.8251 -0.965 -0.86 -1.2893 -0.9984 1952295 ICCB6_000211 COC(=O)c1nc(oc1CC(=O)CCl)C(NC(=O)NC(=O)OC(C)(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J14 compound treatment 1.166 -3.37 -3.19 1.2537 -3.54 -3.15 -4.4898 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J15 compound treatment 4.9082 0.367 0.35 6.5435 1.75 1.56 1.3523 0.8437 1952690 ICCB6_000213 COC(=O)CC(C(=O)OC)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J16 compound treatment 5.3694 0.829 0.78 4.8459 0.0561 0.05 0.59 0.7507 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J17 compound treatment 4.8908 0.35 0.33 6.3232 1.53 1.37 1.2016 0.8537 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J18 compound treatment 4.5277 -0.0132 -0.01 4.8 0.0102 0.01 -0.0024 -0.1529 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J19 compound treatment 8.632 4.09 3.87 7.8135 3.02 2.7 4.646 0.9844 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J20 compound treatment 2.8425 -1.7 -1.61 2.8978 -1.89 -1.69 -2.3304 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J21 compound treatment 5.0358 0.495 0.47 5.835 1.05 0.93 0.9907 0.9493 3005760 ICCB6_000219 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J22 compound treatment 4.6575 0.117 0.11 6.0448 1.26 1.12 0.8698 0.7731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J23 mock treatment 4.2795 -0.261 -0.25 4.8853 0.0955 0.09 -0.1147 -0.4382 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 J24 mock treatment 5.9472 1.41 1.33 5.3902 0.6 0.54 1.3202 0.92 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K01 compound treatment 5.3186 0.778 0.74 5.1003 0.311 0.28 0.7165 0.9108 2065783 ICCB6_000221 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C)c5ccccc52 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K02 compound treatment 4.3367 -0.204 -0.19 4.7094 -0.0803 -0.07 -0.1874 -0.9089 2065784 ICCB6_000222 CC(Oc1ccccc1Br)[C@H](N(C)C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K03 compound treatment 4.0957 -0.445 -0.42 4.5668 -0.223 -0.2 -0.4386 -0.9413 2065785 ICCB6_000223 COC(=O)C(C(c1ccc(OC)cc1)[Si](C)(C)c2ccccc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K04 compound treatment 5.4685 0.928 0.88 5.5614 0.772 0.69 1.1077 0.9927 2065786 ICCB6_000224 C[C@H](C(Oc1ccccc1[N+](=O)[O-])c2ccccc2)N(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K05 compound treatment 4.5637 0.0228 0.02 4.7983 0.00853 0.01 0.0206 0.9021 2065787 ICCB6_000225 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K06 compound treatment 4.7928 0.252 0.24 5.2158 0.426 0.38 0.4374 0.9748 2065788 ICCB6_000226 COc1cc(/C=C/C=O)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K07 compound treatment 5.2644 0.724 0.68 5.1439 0.354 0.32 0.7077 0.9383 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K08 compound treatment 4.9141 0.373 0.35 4.2496 -0.54 -0.48 -0.091 -0.1522 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K09 compound treatment 3.7814 -0.759 -0.72 4.6467 -0.143 -0.13 -0.5986 -0.8198 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K10 compound treatment 4.7003 0.159 0.15 5.1383 0.349 0.31 0.3266 0.9449 2065792 ICCB6_000230 CC(C)[Si](OCC1CCC=CC1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K11 compound treatment 7.2894 2.75 2.6 6.4681 1.68 1.5 2.8985 0.9656 1034979 ICCB6_000231 c1c(cn2ccccc12)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K12 compound treatment 4.6169 0.076 0.07 5.001 0.211 0.19 0.1841 0.9128 2065793 ICCB6_000232 CC1(C)COC(=O)C1OC(=O)C2CC3CCC2C=C3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K13 compound treatment 4.4316 -0.109 -0.1 5.5269 0.737 0.66 0.3919 0.5886 1952379 ICCB6_000233 CC(C)[Si](OCc1ccc(C=O)o1)(C(C)C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K14 compound treatment 3.8527 -0.688 -0.65 5.0654 0.276 0.25 -0.2867 -0.4118 2065794 ICCB6_000234 OCC1CC2CCC1C=C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K15 compound treatment 6.8296 2.29 2.17 7.0406 2.25 2.01 2.9519 0.9993 1952707 ICCB6_000235 CCCCSc1cc(=O)oc2cc(OC)ccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K16 compound treatment 4.6518 0.111 0.1 4.997 0.207 0.18 0.205 0.964 2065795 ICCB6_000236 Ic1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K17 compound treatment 4.065 -0.476 -0.45 4.6902 -0.0996 -0.09 -0.3813 -0.8306 1952828 ICCB6_000237 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K18 compound treatment 2.0338 -2.51 -2.37 2.3562 -2.43 -2.17 -3.2134 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K19 compound treatment 4.9411 0.4 0.38 5.3916 0.602 0.54 0.6476 0.9854 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K20 compound treatment 1.3795 -3.16 -2.99 1.5394 -3.25 -2.9 -4.1666 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K21 compound treatment 5.4202 0.879 0.83 6.4805 1.69 1.51 1.6552 0.9607 3005761 ICCB6_000241 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K22 compound treatment 5.4037 0.863 0.82 5.9535 1.16 1.04 1.3117 0.9929 2065798 ICCB6_000242 Ic1ccc2NC(=O)/C(=C/C#N)/c2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K23 mock treatment 4.6588 0.118 0.11 4.9955 0.206 0.18 0.2088 0.9716 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 K24 mock treatment 5.8323 1.29 1.22 5.102 0.312 0.28 1.0614 0.8466 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L01 compound treatment 3.7436 -0.797 -0.75 3.805 -0.985 -0.88 -1.1549 -0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L02 compound treatment 4.4335 -0.107 -0.1 5.2081 0.418 0.37 0.1921 0.4965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L03 compound treatment 4.4764 -0.0645 -0.06 4.9532 0.163 0.15 0.06 0.3793 2065801 ICCB6_000245 COC(=O)C(C(c1ccco1)[Si](C)(C)c2ccccc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L04 compound treatment 2.5978 -1.94 -1.84 2.8392 -1.95 -1.74 -2.5311 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L05 compound treatment 3.8075 -0.733 -0.69 4.3259 -0.464 -0.41 -0.7835 -0.9695 2065803 ICCB6_000247 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L06 compound treatment 4.8603 0.319 0.3 5.3078 0.518 0.46 0.5406 0.9789 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L07 compound treatment 3.4871 -1.05 -1.0 3.9324 -0.857 -0.76 -1.2463 -0.9914 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L08 compound treatment 3.3074 -1.23 -1.17 4.0496 -0.74 -0.66 -1.2926 -0.9636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L09 compound treatment 4.5132 -0.0277 -0.03 4.4532 -0.337 -0.3 -0.2309 -0.7659 2065807 ICCB6_000251 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L10 compound treatment 2.3684 -2.17 -2.06 2.3963 -2.39 -2.14 -2.9641 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L11 compound treatment 4.2981 -0.243 -0.23 4.4384 -0.351 -0.31 -0.3841 -0.9883 2065809 ICCB6_000253 COC(=O)Cc1cn[nH]c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L12 compound treatment 2.3941 -2.15 -2.03 2.0532 -2.74 -2.44 -3.1634 -0.9958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L13 compound treatment 5.3678 0.827 0.78 5.9955 1.21 1.08 1.3142 0.9878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L14 compound treatment 1.6041 -2.94 -2.78 1.8703 -2.92 -2.6 -3.8075 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L15 compound treatment 5.1667 0.626 0.59 6.4084 1.62 1.44 1.4401 0.9226 1952793 ICCB6_000257 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L16 compound treatment 3.1436 -1.4 -1.32 4.0632 -0.727 -0.65 -1.3936 -0.9461 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L17 compound treatment 5.5267 0.986 0.93 5.1735 0.384 0.34 0.9019 0.9074 1952829 ICCB6_000259 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L18 compound treatment 2.8338 -1.71 -1.62 4.2888 -0.501 -0.45 -1.4586 -0.87 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L19 compound treatment 5.056 0.515 0.49 5.5516 0.762 0.68 0.8254 0.9867 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L20 compound treatment 3.7798 -0.761 -0.72 4.2304 -0.559 -0.5 -0.8623 -0.9839 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L21 compound treatment 5.9667 1.43 1.35 5.0942 0.304 0.27 1.1464 0.8327 1952748 ICCB6_000263 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L22 compound treatment 4.0644 -0.476 -0.45 4.7165 -0.0733 -0.07 -0.3651 -0.8012 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L23 mock treatment 4.6348 0.0939 0.09 5.5045 0.715 0.64 0.5138 0.798 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 L24 mock treatment 4.363 -0.178 -0.17 5.3333 0.544 0.48 0.2239 0.4361 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M01 compound treatment 4.2624 -0.278 -0.26 4.0195 -0.77 -0.69 -0.6724 -0.9134 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M02 compound treatment 3.3341 -1.21 -1.14 3.4751 -1.31 -1.17 -1.6372 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M03 compound treatment 3.4943 -1.05 -0.99 4.1495 -0.64 -0.57 -1.1045 -0.9658 2065818 ICCB6_000267 COc1ccc(cc1)C(CC(=O)c2ccccc2)[Si](C)(C)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M04 compound treatment 3.2251 -1.32 -1.25 3.9592 -0.831 -0.74 -1.4046 -0.9692 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M05 compound treatment 4.0415 -0.499 -0.47 4.5631 -0.227 -0.2 -0.4772 -0.9283 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M06 compound treatment 3.9328 -0.608 -0.58 4.3637 -0.426 -0.38 -0.6758 -0.9797 2065821 ICCB6_000270 COC(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M07 compound treatment 3.6113 -0.93 -0.88 3.1347 -1.66 -1.48 -1.6663 -0.9694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M08 compound treatment 4.1238 -0.417 -0.39 4.2968 -0.493 -0.44 -0.5902 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M09 compound treatment 3.8917 -0.649 -0.61 3.5722 -1.22 -1.09 -1.2026 -0.9636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M10 compound treatment 4.8142 0.273 0.26 4.4601 -0.33 -0.29 -0.025 -0.0638 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M11 compound treatment 4.9544 0.414 0.39 4.7216 -0.0682 -0.06 0.2338 0.5901 2065826 ICCB6_000275 CC(C(=O)O)c1ccccc1C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M12 compound treatment 4.6274 0.0865 0.08 5.4228 0.633 0.56 0.4573 0.8013 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M13 compound treatment 5.1931 0.652 0.62 5.8535 1.06 0.95 1.1077 0.9783 1952416 ICCB6_000277 Clc1c(Cl)c(Cl)c(OCc2ccccc2)c(Cl)c1Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M14 compound treatment 4.0452 -0.496 -0.47 4.4882 -0.302 -0.27 -0.522 -0.9652 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M15 compound treatment 5.9126 1.37 1.3 5.2665 0.477 0.43 1.2189 0.8921 1952795 ICCB6_000279 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M16 compound treatment 5.3476 0.807 0.76 5.6341 0.844 0.75 1.0726 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M17 compound treatment 4.9412 0.4 0.38 4.9035 0.114 0.1 0.3397 0.8659 1952832 ICCB6_000281 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M18 compound treatment 5.4274 0.887 0.84 5.5853 0.795 0.71 1.0953 0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M19 compound treatment 5.4038 0.863 0.82 5.4541 0.664 0.59 0.9967 0.9876 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M20 compound treatment 4.3682 -0.173 -0.16 5.9945 1.2 1.07 0.6445 0.5928 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M21 compound treatment 4.3701 -0.171 -0.16 4.6159 -0.174 -0.16 -0.224 -0.9998 1107217 ICCB6_000285 Cc1cccnc1I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M22 compound treatment 5.0775 0.537 0.51 4.7434 -0.0464 -0.04 0.3299 0.6473 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M23 mock treatment 4.0075 -0.533 -0.5 5.3303 0.541 0.48 -0.016 -0.0229 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 M24 mock treatment 4.5073 -0.0335 -0.03 4.6248 -0.165 -0.15 -0.1266 -0.8403 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N01 compound treatment 4.1833 -0.358 -0.34 4.1299 -0.66 -0.59 -0.6556 -0.9654 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N02 compound treatment 4.1802 -0.361 -0.34 4.658 -0.132 -0.12 -0.3246 -0.8988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N03 compound treatment 4.4661 -0.0748 -0.07 4.1531 -0.637 -0.57 -0.4517 -0.7891 2065832 ICCB6_000289 C[Si](C)(F)C(CC(=O)c1ccccc1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N04 compound treatment 4.5539 0.013 0.01 4.6935 -0.0962 -0.09 -0.052 -0.5993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N05 compound treatment 4.2379 -0.303 -0.29 4.0385 -0.751 -0.67 -0.6767 -0.9282 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N06 compound treatment 4.2821 -0.259 -0.24 4.7384 -0.0514 -0.05 -0.2056 -0.8251 2065835 ICCB6_000292 CC1(C)N[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC1CCC4=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N07 compound treatment 3.7933 -0.748 -0.71 3.5037 -1.29 -1.15 -1.3117 -0.973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N08 compound treatment 5.543 1.0 0.95 4.5536 -0.236 -0.21 0.5218 0.5369 2065837 ICCB6_000294 CN1[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N09 compound treatment 3.8319 -0.709 -0.67 4.4109 -0.379 -0.34 -0.7136 -0.9496 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N10 compound treatment 2.8353 -1.71 -1.61 3.0934 -1.7 -1.51 -2.2119 -0.9995 2065839 ICCB6_000296 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CC3CCC2(C)C3(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N11 compound treatment 4.6331 0.0923 0.09 5.0623 0.273 0.24 0.2337 0.9045 2065840 ICCB6_000297 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N12 compound treatment 4.6214 0.0806 0.08 5.6567 0.867 0.77 0.6009 0.7731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N13 compound treatment 9.6833 5.14 4.87 8.7089 3.92 3.5 5.9146 0.9868 1952445 ICCB6_000299 Clc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(CNC(=O)OCc5ccccc5)cc4)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N14 compound treatment 5.4306 0.89 0.84 5.5554 0.766 0.68 1.0786 0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N15 compound treatment 5.6147 1.07 1.02 5.3444 0.555 0.49 1.0687 0.9453 1952801 ICCB6_000301 Oc1ccccc1C#Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N16 compound treatment 4.8801 0.339 0.32 5.0267 0.237 0.21 0.3766 0.9794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N17 compound treatment 3.5646 -0.976 -0.92 4.5378 -0.252 -0.22 -0.8125 -0.8542 1952836 ICCB6_000303 CC(=O)c1ccc2oc(cc2c1)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N18 compound treatment 4.5595 0.0186 0.02 4.8422 0.0525 0.05 0.0456 0.911 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N19 compound treatment 5.8639 1.32 1.25 6.2154 1.43 1.27 1.7849 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N20 compound treatment 5.9868 1.45 1.37 5.622 0.832 0.74 1.4928 0.9587 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N21 compound treatment 4.2194 -0.321 -0.3 3.8712 -0.919 -0.82 -0.7947 -0.909 3005761 ICCB6_000307 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N22 compound treatment 5.6124 1.07 1.01 5.9603 1.17 1.04 1.4557 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N23 mock treatment 4.9603 0.419 0.4 5.6972 0.907 0.81 0.8532 0.9462 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 N24 mock treatment 4.3525 -0.188 -0.18 4.949 0.159 0.14 -0.0256 -0.1124 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O01 compound treatment 2.7011 -1.84 -1.74 3.0482 -1.74 -1.55 -2.3302 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O02 compound treatment 4.2033 -0.338 -0.32 4.5994 -0.19 -0.17 -0.346 -0.9563 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O03 compound treatment 4.2464 -0.294 -0.28 4.114 -0.676 -0.6 -0.6234 -0.9386 2065848 ICCB6_000311 Cc1ccc(cc1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O04 compound treatment 3.6432 -0.898 -0.85 3.5468 -1.24 -1.11 -1.385 -0.9914 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O05 compound treatment 3.1668 -1.37 -1.3 3.7104 -1.08 -0.96 -1.6007 -0.9891 2065849 ICCB6_000313 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)CCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O06 compound treatment 4.3008 -0.24 -0.23 4.7389 -0.0509 -0.05 -0.1928 -0.8319 2065850 ICCB6_000314 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(Br)cc4)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O07 compound treatment 3.1424 -1.4 -1.32 3.2889 -1.5 -1.34 -1.883 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O08 compound treatment 4.0462 -0.495 -0.47 4.6192 -0.171 -0.15 -0.4388 -0.8911 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O09 compound treatment 3.2345 -1.31 -1.24 3.038 -1.75 -1.56 -1.9796 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O10 compound treatment 3.9821 -0.559 -0.53 4.5728 -0.217 -0.19 -0.5109 -0.9071 2065854 ICCB6_000318 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O11 compound treatment 3.8898 -0.651 -0.62 4.4486 -0.341 -0.3 -0.651 -0.9471 2065855 ICCB6_000319 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O12 compound treatment 4.0031 -0.538 -0.51 4.5926 -0.197 -0.18 -0.4844 -0.8993 2065856 ICCB6_000320 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O13 compound treatment 4.3223 -0.219 -0.21 4.398 -0.392 -0.35 -0.3935 -0.9686 1952450 ICCB6_000321 CCOC(=O)C(O)C(O)c1ccc(CO[Si](C(C)C)(C(C)C)c2ccccc2)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O14 compound treatment 5.2326 0.692 0.65 5.5302 0.74 0.66 0.9301 1.0 2065857 ICCB6_000322 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O15 compound treatment 4.1954 -0.345 -0.33 4.5594 -0.23 -0.21 -0.3766 -0.975 1952761 ICCB6_000323 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O16 compound treatment 4.1879 -0.353 -0.33 4.9467 0.157 0.14 -0.1373 -0.3789 2065858 ICCB6_000324 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O17 compound treatment 3.9232 -0.618 -0.58 3.9534 -0.836 -0.75 -0.9411 -0.9927 1952837 ICCB6_000325 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O18 compound treatment 3.1972 -1.34 -1.27 4.1687 -0.621 -0.55 -1.2912 -0.9307 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O19 compound treatment 4.4564 -0.0845 -0.08 4.8639 0.0741 0.07 -0.0098 -0.0943 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O20 compound treatment 4.014 -0.527 -0.5 4.6735 -0.116 -0.1 -0.426 -0.8363 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O21 compound treatment 3.7474 -0.793 -0.75 3.7305 -1.06 -0.95 -1.1994 -0.9935 1952755 ICCB6_000329 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O22 compound treatment 3.5407 -1.0 -0.95 3.1322 -1.66 -1.48 -1.7152 -0.9768 2065861 ICCB6_000330 C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC=C)C(C)(C)C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O23 mock treatment 3.4267 -1.11 -1.05 4.47 -0.32 -0.29 -0.9475 -0.8672 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 O24 mock treatment 3.6798 -0.861 -0.82 3.8638 -0.926 -0.83 -1.1605 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P01 compound treatment 1.9611 -2.58 -2.44 2.2269 -2.56 -2.29 -3.3436 -0.9995 2065862 ICCB6_000331 CC1(C)OCC2=C(CC(CCc3ccccc3)OC2CCc4ccccc4)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P02 compound treatment 4.5848 0.0439 0.04 4.5515 -0.238 -0.21 -0.1209 -0.5582 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P03 compound treatment 3.8247 -0.716 -0.68 5.1261 0.336 0.3 -0.2672 -0.3604 2065864 ICCB6_000333 C1CCC(CC1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P04 compound treatment 4.2591 -0.282 -0.27 4.129 -0.661 -0.59 -0.6055 -0.9357 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P05 compound treatment 3.5839 -0.957 -0.91 3.8994 -0.89 -0.79 -1.2023 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P06 compound treatment 4.0535 -0.487 -0.46 4.5532 -0.237 -0.21 -0.4755 -0.9372 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P07 compound treatment 2.853 -1.69 -1.6 3.0365 -1.75 -1.56 -2.2359 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P08 compound treatment 4.2237 -0.317 -0.3 4.2669 -0.523 -0.47 -0.5421 -0.9773 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P09 compound treatment 3.0604 -1.48 -1.4 3.3495 -1.44 -1.28 -1.8996 -0.9991 2065870 ICCB6_000339 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P10 compound treatment 4.0103 -0.531 -0.5 4.4849 -0.305 -0.27 -0.5475 -0.9585 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P11 compound treatment 4.6256 0.0847 0.08 4.8416 0.0519 0.05 0.0894 0.9658 2065872 ICCB6_000341 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P12 compound treatment 3.9253 -0.616 -0.58 4.4436 -0.346 -0.31 -0.6304 -0.9559 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P13 compound treatment 3.9907 -0.55 -0.52 4.5917 -0.198 -0.18 -0.4932 -0.8968 2065874 ICCB6_000343 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P14 compound treatment 3.7032 -0.838 -0.79 4.4608 -0.329 -0.29 -0.7682 -0.9086 2065875 ICCB6_000344 Brc1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P15 compound treatment 6.9874 2.45 2.32 7.3373 2.55 2.27 3.2448 1.0 1952804 ICCB6_000345 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P16 compound treatment 3.4381 -1.1 -1.04 4.4383 -0.351 -0.31 -0.9599 -0.8806 2065876 ICCB6_000346 CCOC(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P17 compound treatment 5.2631 0.722 0.68 5.8117 1.02 0.91 1.1281 0.9899 1952838 ICCB6_000347 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P18 compound treatment 2.7963 -1.74 -1.65 3.7289 -1.06 -0.95 -1.837 -0.9651 2065877 ICCB6_000348 O=C(/C=C\1/C(=O)Nc2ccccc12)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P19 compound treatment 4.7236 0.183 0.17 5.1405 0.351 0.31 0.3436 0.9609 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P20 compound treatment 4.2457 -0.295 -0.28 4.0987 -0.691 -0.62 -0.6336 -0.9359 2065878 ICCB6_000350 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P21 compound treatment 3.1705 -1.37 -1.3 3.54 -1.25 -1.12 -1.7057 -0.9972 1952770 ICCB6_000351 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P22 compound treatment 3.3169 -1.22 -1.16 4.3586 -0.431 -0.38 -1.0912 -0.8939 2065879 ICCB6_000352 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P23 mock treatment 3.6671 -0.874 -0.83 4.1019 -0.688 -0.61 -1.0188 -0.9892 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.1463 P24 mock treatment 2.863 -1.68 -1.59 3.7118 -1.08 -0.96 -1.8032 -0.9711 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A01 mock treatment 5.2132 0.624 0.59 5.002 0.0433 0.04 0.4452 0.7518 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A02 mock treatment 5.0619 0.473 0.45 6.2572 1.3 1.16 1.1359 0.9144 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A03 compound treatment 4.5858 -0.00315 0.0 5.8432 0.885 0.79 0.556 0.7044 3000673 BCB01_000001 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A04 compound treatment 4.9657 0.377 0.36 5.0813 0.123 0.11 0.3296 0.8835 3000674 BCB01_000002 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A05 compound treatment 2.7003 -1.89 -1.79 2.9765 -1.98 -1.77 -2.5146 -1.0 3000675 BCB01_000003 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A06 compound treatment 5.2241 0.635 0.6 6.2376 1.28 1.14 1.232 0.9552 3000676 BCB01_000004 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A07 compound treatment 5.4473 0.858 0.81 6.3361 1.38 1.23 1.4436 0.9798 3093034 BCB01_000005 COc1cc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A08 compound treatment 7.5688 2.98 2.82 9.0747 4.12 3.67 4.5913 0.9915 3000677 BCB01_000006 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A09 compound treatment 4.7731 0.184 0.17 6.3433 1.38 1.24 0.9968 0.7989 3093035 BCB01_000007 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A10 compound treatment 3.538 -1.05 -0.99 4.2354 -0.723 -0.65 -1.1597 -0.978 3000678 BCB01_000008 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A11 compound treatment 5.3632 0.774 0.73 4.7296 -0.229 -0.2 0.3738 0.4912 3093104 BCB01_000009 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A12 compound treatment 5.8147 1.23 1.16 4.6421 -0.317 -0.28 0.6208 0.5198 3093105 BCB01_000010 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A13 compound treatment 5.5944 1.01 0.95 5.3013 0.343 0.31 0.8892 0.8895 3000679 BCB01_000011 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A14 compound treatment 4.817 0.228 0.22 4.2828 -0.676 -0.6 -0.2737 -0.4274 3093106 BCB01_000012 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A15 compound treatment 4.6639 0.0749 0.07 5.5026 0.544 0.49 0.3934 0.8019 3093107 BCB01_000013 CCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A16 compound treatment 3.5356 -1.05 -1.0 3.8365 -1.12 -1.0 -1.413 -1.0 3000680 BCB01_000014 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A17 compound treatment 5.2441 0.655 0.62 4.8322 -0.126 -0.11 0.3588 0.5692 3093108 BCB01_000015 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C)C3=O)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A18 compound treatment 4.8945 0.306 0.29 4.4818 -0.477 -0.43 -0.0963 -0.1872 3093109 BCB01_000016 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A19 compound treatment 5.7899 1.2 1.14 4.9164 -0.0422 -0.04 0.7772 0.6833 3000681 BCB01_000017 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C)C3=O)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A20 compound treatment 3.8288 -0.76 -0.72 3.402 -1.56 -1.39 -1.4909 -0.9531 3093110 BCB01_000018 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A21 compound treatment 4.5121 -0.0769 -0.07 4.6799 -0.279 -0.25 -0.2273 -0.8773 3000682 BCB01_000019 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A22 compound treatment 4.488 -0.101 -0.1 4.0723 -0.886 -0.79 -0.6268 -0.7869 3093111 BCB01_000020 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A23 mock treatment 5.2521 0.663 0.63 4.5199 -0.439 -0.39 0.1671 0.2259 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 A24 mock treatment 5.1029 0.514 0.49 4.1689 -0.79 -0.7 -0.1542 -0.1801 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B01 mock treatment 4.5547 -0.0342 -0.03 4.7588 -0.2 -0.18 -0.149 -0.8221 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B02 mock treatment 5.6682 1.08 1.02 5.9682 1.01 0.9 1.3593 0.998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B03 compound treatment 7.5881 3.0 2.84 7.2201 2.26 2.02 3.4342 0.986 3093112 BCB01_000021 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B04 compound treatment 6.9459 2.36 2.23 8.3856 3.43 3.06 3.7396 0.988 3000683 BCB01_000022 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B05 compound treatment 5.1427 0.554 0.52 5.4771 0.518 0.46 0.6977 0.9981 3093113 BCB01_000023 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B06 compound treatment 6.0738 1.48 1.41 5.2058 0.247 0.22 1.1498 0.8082 3093114 BCB01_000024 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B07 compound treatment 5.2171 0.628 0.59 4.4161 -0.542 -0.48 0.0782 0.102 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B08 compound treatment 5.5159 0.927 0.88 5.7574 0.799 0.71 1.1244 0.9947 3093115 BCB01_000026 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B09 compound treatment 6.9409 2.35 2.23 6.7842 1.83 1.63 2.726 0.9882 3093116 BCB01_000027 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B10 compound treatment 6.3744 1.79 1.69 5.7841 0.826 0.74 1.7159 0.9307 3000685 BCB01_000028 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B11 compound treatment 5.7683 1.18 1.12 5.9912 1.03 0.92 1.4408 0.9954 3093117 BCB01_000029 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(C)cc(C)cc4C)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B12 compound treatment 5.7665 1.18 1.11 5.7718 0.813 0.73 1.3012 0.9784 3093118 BCB01_000030 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B13 compound treatment 4.0598 -0.529 -0.5 4.3642 -0.594 -0.53 -0.7292 -0.9996 3000686 BCB01_000031 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4C)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B14 compound treatment 5.9384 1.35 1.28 6.0906 1.13 1.01 1.6174 0.9932 3093119 BCB01_000032 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccco4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B15 compound treatment 4.9263 0.337 0.32 5.1677 0.209 0.19 0.3577 0.9672 3093120 BCB01_000033 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(c4ccccc4)c5ccccc5)C(=O)N(C3=O)c6ccccc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B16 compound treatment 4.8836 0.295 0.28 4.7747 -0.184 -0.16 0.0812 0.251 3000687 BCB01_000034 CCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B17 compound treatment 5.748 1.16 1.1 4.8624 -0.0962 -0.09 0.7151 0.6498 3000688 BCB01_000035 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B18 compound treatment 5.6364 1.05 0.99 5.9383 0.98 0.87 1.3191 0.998 3093121 BCB01_000036 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B19 compound treatment 3.9047 -0.684 -0.65 4.1581 -0.801 -0.71 -0.9631 -0.9988 3093122 BCB01_000037 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B20 compound treatment 4.8539 0.265 0.25 4.5697 -0.389 -0.35 -0.068 -0.1589 3093123 BCB01_000038 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B21 compound treatment 4.8733 0.284 0.27 4.653 -0.306 -0.27 -0.0025 -0.0065 3000689 BCB01_000039 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B22 compound treatment 4.9959 0.407 0.39 4.4781 -0.481 -0.43 -0.0308 -0.0534 3093124 BCB01_000040 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B23 mock treatment 5.2755 0.687 0.65 4.2466 -0.712 -0.64 0.0104 0.0114 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 B24 mock treatment 4.1024 -0.487 -0.46 4.6716 -0.287 -0.26 -0.5068 -0.9616 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C01 mock treatment 4.6766 0.0877 0.08 4.5251 -0.433 -0.39 -0.2148 -0.543 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C02 mock treatment 4.333 -0.256 -0.24 5.3689 0.41 0.37 0.0875 0.1994 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C03 compound treatment 5.4807 0.892 0.84 5.2495 0.291 0.26 0.7804 0.8837 3000690 BCB01_000041 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C)C3=O)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C04 compound treatment 4.038 -0.551 -0.52 4.6797 -0.279 -0.25 -0.5447 -0.9427 3093125 BCB01_000042 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C05 compound treatment 5.2158 0.627 0.59 4.9135 -0.0451 -0.04 0.3911 0.6576 3093282 BCB01_000043 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C)C3=O)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C06 compound treatment 4.038 -0.551 -0.52 4.6577 -0.301 -0.27 -0.5586 -0.9523 3000691 BCB01_000044 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C07 compound treatment 5.6698 1.08 1.02 5.5898 0.631 0.56 1.1217 0.9604 3093194 BCB01_000045 COc1cc(NN2C3C(C=CC2C(O)C4CCC(CC4)C(=C)C)C(=O)N(C)C3=O)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C08 compound treatment 3.1588 -1.43 -1.35 2.787 -2.17 -1.94 -2.3273 -0.9846 3093195 BCB01_000046 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C09 compound treatment 4.5278 -0.0612 -0.06 4.4066 -0.552 -0.49 -0.3892 -0.7849 3000692 BCB01_000047 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C)C3=O)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C10 compound treatment 2.4417 -2.15 -2.03 2.7364 -2.22 -1.98 -2.8392 -0.9999 3093196 BCB01_000048 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)/C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C11 compound treatment 5.0622 0.473 0.45 5.2598 0.301 0.27 0.5067 0.9701 3093197 BCB01_000049 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C12 compound treatment 4.8928 0.304 0.29 4.7754 -0.183 -0.16 0.0878 0.2654 3000693 BCB01_000050 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C13 compound treatment 5.2261 0.637 0.6 5.1176 0.159 0.14 0.5267 0.8502 3093198 BCB01_000051 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C14 compound treatment 3.5758 -1.01 -0.96 4.2495 -0.709 -0.63 -1.1255 -0.9796 3000694 BCB01_000052 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C15 compound treatment 4.8473 0.258 0.24 5.106 0.147 0.13 0.2659 0.9577 3093199 BCB01_000053 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C16 compound treatment 6.2415 1.65 1.56 5.0151 0.0565 0.05 1.1418 0.7295 3093200 BCB01_000054 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C17 compound treatment 4.2829 -0.306 -0.29 4.5873 -0.371 -0.33 -0.4391 -0.9978 3000695 BCB01_000055 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C18 compound treatment 4.5263 -0.0626 -0.06 5.3388 0.38 0.34 0.1979 0.5748 3093201 BCB01_000056 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C19 compound treatment 6.5532 1.96 1.86 5.5776 0.619 0.55 1.7052 0.8792 3093202 BCB01_000057 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C20 compound treatment 5.5669 0.978 0.93 6.3069 1.35 1.2 1.5052 0.9916 3000696 BCB01_000058 COc1ccc(cc1)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C21 compound treatment 4.1425 -0.447 -0.42 4.1351 -0.824 -0.73 -0.8184 -0.9655 3093203 BCB01_000059 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C22 compound treatment 3.8833 -0.706 -0.67 4.131 -0.828 -0.74 -0.9945 -0.9988 3093204 BCB01_000060 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C23 mock treatment 4.2688 -0.32 -0.3 4.2539 -0.705 -0.63 -0.6589 -0.944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 C24 mock treatment 4.5755 -0.0134 -0.01 4.7555 -0.203 -0.18 -0.1371 -0.7548 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D01 mock treatment 5.1043 0.515 0.49 5.4018 0.443 0.4 0.6245 0.9946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D02 mock treatment 4.1742 -0.415 -0.39 4.6632 -0.295 -0.26 -0.464 -0.9812 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D03 compound treatment 4.084 -0.505 -0.48 3.8503 -1.11 -0.99 -1.0372 -0.9444 3000697 BCB01_000061 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccc(O)c4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D04 compound treatment 4.7652 0.176 0.17 6.0541 1.1 0.98 0.8091 0.816 3093205 BCB01_000062 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D05 compound treatment 5.6208 1.03 0.98 5.2424 0.284 0.25 0.8697 0.8619 3093206 BCB01_000063 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)B(O)O)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D06 compound treatment 4.7985 0.21 0.2 5.3102 0.352 0.31 0.3621 0.9756 3000698 BCB01_000064 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccn4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D07 compound treatment 4.133 -0.456 -0.43 4.1216 -0.837 -0.75 -0.8333 -0.966 3093207 BCB01_000065 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cn(C(=O)C)c5ccccc45)C(=O)N(C3=O)c6ccccc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D08 compound treatment 5.0658 0.477 0.45 5.388 0.429 0.38 0.5901 0.9967 3000792 BCB01_000066 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D09 compound treatment 3.9045 -0.684 -0.65 4.6829 -0.276 -0.25 -0.6321 -0.9121 3000794 BCB01_000067 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(C)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D10 compound treatment 4.4581 -0.131 -0.12 4.8342 -0.124 -0.11 -0.1661 -0.9985 3000796 BCB01_000068 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D11 compound treatment 4.7752 0.186 0.18 5.6214 0.663 0.59 0.5428 0.8797 3000797 BCB01_000069 CC(C)c1ccc(NN2C3C(C=CC2C(O)CC(C)c4ccc(C)o4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D12 compound treatment 3.6005 -0.988 -0.94 4.3815 -0.577 -0.51 -1.0257 -0.9604 3093208 BCB01_000070 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4c(F)cccc4Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D13 compound treatment 3.0244 -1.56 -1.48 3.6556 -1.3 -1.16 -1.8693 -0.9928 3093209 BCB01_000071 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccs4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D14 compound treatment 6.9454 2.36 2.23 6.2356 1.28 1.14 2.3829 0.9514 3000798 BCB01_000072 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D15 compound treatment 5.0956 0.507 0.48 4.5636 -0.395 -0.35 0.0899 0.151 3093210 BCB01_000073 CC(C)c1ccc(NN2C3C(C=CC2C(O)Cc4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D16 compound treatment 5.342 0.753 0.71 5.7104 0.752 0.67 0.9783 0.9995 3000800 BCB01_000074 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D17 compound treatment 2.2141 -2.37 -2.25 2.7718 -2.19 -1.95 -2.9692 -0.9975 3093211 BCB01_000075 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D18 compound treatment 6.9842 2.4 2.27 6.8678 1.91 1.7 2.8077 0.9901 3000876 BCB01_000076 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c(C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D19 compound treatment 7.1699 2.58 2.44 5.7409 0.782 0.7 2.2211 0.8741 3000877 BCB01_000077 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc5OCOc5c4)C(=O)N(C3=O)c6ccccc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D20 compound treatment 4.8836 0.295 0.28 4.7448 -0.214 -0.19 0.0623 0.1844 3000878 BCB01_000078 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D21 compound treatment 3.255 -1.33 -1.26 4.7661 -0.193 -0.17 -1.0144 -0.796 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D22 compound treatment 4.618 0.029 0.03 5.0216 0.063 0.06 0.0592 0.9457 3093212 BCB01_000080 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D23 mock treatment 4.3212 -0.268 -0.25 3.9884 -0.97 -0.87 -0.7913 -0.8773 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 D24 mock treatment 4.4861 -0.103 -0.1 4.153 -0.806 -0.72 -0.5771 -0.7957 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E01 mock treatment 4.6437 0.0547 0.05 5.3095 0.351 0.31 0.258 0.8131 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E02 mock treatment 4.3793 -0.21 -0.2 5.5027 0.544 0.49 0.2029 0.3869 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E03 compound treatment 5.6985 1.11 1.05 7.4081 2.45 2.19 2.288 0.9436 3000882 BCB01_000081 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E04 compound treatment 4.5286 -0.0604 -0.06 5.9308 0.972 0.87 0.573 0.6591 3093213 BCB01_000082 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E05 compound treatment 4.5588 -0.0301 -0.03 5.4398 0.481 0.43 0.2834 0.6587 3093214 BCB01_000083 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E06 compound treatment 5.9116 1.32 1.25 5.4132 0.455 0.41 1.1721 0.8906 3000884 BCB01_000084 CN1C(=O)C2C=CC(C(O)C3CCC(CC3)C(=C)C)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E07 compound treatment 4.7784 0.189 0.18 4.777 -0.182 -0.16 0.0122 0.0505 3093215 BCB01_000085 CN1C(=O)C2C=CC(C(O)c3ccco3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E08 compound treatment 5.5553 0.966 0.91 5.0953 0.137 0.12 0.7331 0.7944 3093216 BCB01_000086 CCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E09 compound treatment 5.351 0.762 0.72 6.7307 1.77 1.58 1.628 0.9368 3000885 BCB01_000087 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E10 compound treatment 4.3741 -0.215 -0.2 4.1796 -0.779 -0.7 -0.6353 -0.8772 3093283 BCB01_000088 CCCCCCCCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E11 compound treatment 5.6271 1.04 0.98 5.073 0.114 0.1 0.767 0.7764 3093284 BCB01_000089 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E12 compound treatment 4.8263 0.237 0.22 5.5499 0.591 0.53 0.5319 0.9276 3000886 BCB01_000090 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E13 compound treatment 4.2708 -0.318 -0.3 4.3392 -0.619 -0.55 -0.6037 -0.9592 3093285 BCB01_000091 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E14 compound treatment 3.9925 -0.596 -0.56 5.1289 0.17 0.15 -0.2918 -0.4991 3093286 BCB01_000092 COc1ccc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c5ccccc15 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E15 compound treatment 3.6839 -0.905 -0.86 3.526 -1.43 -1.28 -1.5096 -0.9811 3000889 BCB01_000093 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E16 compound treatment 5.4191 0.83 0.79 5.4673 0.509 0.45 0.8765 0.966 3093287 BCB01_000094 COc1cc(Br)cc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E17 compound treatment 3.6687 -0.92 -0.87 4.1864 -0.772 -0.69 -1.1032 -0.9933 3093288 BCB01_000095 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E18 compound treatment 4.8495 0.261 0.25 5.3974 0.439 0.39 0.4512 0.9752 3000890 BCB01_000096 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3N5CCCCC5)C(=O)N(C)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E19 compound treatment 5.4262 0.837 0.79 5.0133 0.0547 0.05 0.5949 0.7492 3093289 BCB01_000097 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E20 compound treatment 4.5652 -0.0237 -0.02 5.1953 0.237 0.21 0.1334 0.6283 3093290 BCB01_000098 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E21 compound treatment 4.9144 0.325 0.31 5.4852 0.527 0.47 0.55 0.9791 3000891 BCB01_000099 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E22 compound treatment 4.9091 0.32 0.3 4.9601 0.00151 0.0 0.2152 0.7102 3093291 BCB01_000100 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E23 mock treatment 4.4142 -0.175 -0.17 4.927 -0.0316 -0.03 -0.1369 -0.8159 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 E24 mock treatment 4.2327 -0.356 -0.34 4.8892 -0.0694 -0.06 -0.2823 -0.8231 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F01 mock treatment 4.6253 0.0363 0.03 4.8236 -0.135 -0.12 -0.0609 -0.486 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F02 mock treatment 4.2834 -0.306 -0.29 4.6267 -0.332 -0.3 -0.4139 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F03 compound treatment 4.8177 0.229 0.22 6.0174 1.06 0.94 0.8211 0.8472 3093292 BCB01_000101 CC(C)c1ccc(NN2C3C(C=CC2C(O)/C=C(\C)/CCC=C(C)C)C(=O)N(C3=O)c4ccccc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F04 compound treatment 5.0829 0.494 0.47 6.0893 1.13 1.01 1.0439 0.9389 3000892 BCB01_000102 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F05 compound treatment 5.6545 1.07 1.01 6.7173 1.76 1.57 1.8228 0.9772 3093293 BCB01_000103 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F06 compound treatment 3.8542 -0.735 -0.7 4.6029 -0.356 -0.32 -0.7162 -0.9368 3000894 BCB01_000104 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F07 compound treatment 1.8571 -2.73 -2.59 2.7347 -2.22 -1.98 -3.2315 -0.9914 3093294 BCB01_000105 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F08 compound treatment 4.6693 0.0803 0.08 4.9288 -0.0298 -0.03 0.035 0.4339 3093295 BCB01_000106 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F09 compound treatment 4.526 -0.0629 -0.06 4.7614 -0.197 -0.18 -0.1665 -0.8965 3000896 BCB01_000107 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F10 compound treatment 3.3786 -1.21 -1.15 3.5325 -1.43 -1.27 -1.7099 -0.9986 3093296 BCB01_000108 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F11 compound treatment 5.163 0.574 0.54 5.8223 0.864 0.77 0.9291 0.9854 3093297 BCB01_000109 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)C(=O)C)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F12 compound treatment 4.234 -0.355 -0.34 3.9042 -1.05 -0.94 -0.9028 -0.9037 3000898 BCB01_000110 CC(C)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F13 compound treatment 4.6455 0.0566 0.05 4.5528 -0.406 -0.36 -0.2181 -0.596 3000979 BCB01_000111 CCCCCCCCCCC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F14 compound treatment 4.7921 0.203 0.19 5.0649 0.106 0.09 0.203 0.9469 3000980 BCB01_000112 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc(O)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F15 compound treatment 4.6365 0.0476 0.05 5.2034 0.245 0.22 0.1863 0.8354 3000981 BCB01_000113 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F16 compound treatment 4.5941 0.00513 0.0 5.5902 0.632 0.56 0.4019 0.7132 3000982 BCB01_000114 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F17 compound treatment 3.363 -1.23 -1.16 4.1127 -0.846 -0.75 -1.3543 -0.9783 3000984 BCB01_000115 COc1ccc(C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O)c4ccccc14 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F18 compound treatment 5.3847 0.796 0.75 5.2502 0.292 0.26 0.7166 0.8992 3093298 BCB01_000116 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c(C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F19 compound treatment 4.312 -0.277 -0.26 4.2821 -0.676 -0.6 -0.6121 -0.9303 3093299 BCB01_000117 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F20 compound treatment 4.8863 0.297 0.28 5.3161 0.357 0.32 0.4246 0.9981 3000987 BCB01_000118 CC(=O)N1CC(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F21 compound treatment 4.5472 -0.0418 -0.04 5.1894 0.231 0.21 0.1177 0.5611 3093300 BCB01_000119 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F22 compound treatment 4.4343 -0.155 -0.15 5.4784 0.52 0.46 0.2244 0.4614 3093301 BCB01_000120 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F23 mock treatment 4.8591 0.27 0.26 5.5577 0.599 0.53 0.5587 0.943 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 F24 mock treatment 4.025 -0.564 -0.53 5.1983 0.24 0.21 -0.2263 -0.3934 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G01 mock treatment 4.5901 0.00119 0.0 6.7517 1.79 1.6 1.132 0.7076 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G02 mock treatment 4.9416 0.353 0.33 4.64 -0.319 -0.28 0.035 0.0799 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G03 compound treatment 4.4339 -0.155 -0.15 6.2561 1.3 1.16 0.7147 0.6125 3000990 BCB01_000121 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G04 compound treatment 3.5999 -0.989 -0.94 3.7393 -1.22 -1.09 -1.4313 -0.9972 3093302 BCB01_000122 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G05 compound treatment 4.8373 0.248 0.24 5.3818 0.423 0.38 0.4332 0.974 3093303 BCB01_000123 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G06 compound treatment 4.6984 0.109 0.1 5.2403 0.282 0.25 0.2509 0.9232 3000991 BCB01_000124 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G07 compound treatment 4.4922 -0.0968 -0.09 5.1536 0.195 0.17 0.0583 0.2963 3093304 BCB01_000125 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G08 compound treatment 5.009 0.42 0.4 5.6278 0.669 0.6 0.7033 0.9805 3000992 BCB01_000126 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G09 compound treatment 4.7805 0.192 0.18 4.7807 -0.178 -0.16 0.016 0.0664 3093373 BCB01_000127 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G10 compound treatment 7.9392 3.35 3.17 8.0788 3.12 2.78 4.2109 0.9979 3093374 BCB01_000128 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G11 compound treatment 5.2908 0.702 0.66 5.4385 0.48 0.43 0.7725 0.9774 3000993 BCB01_000129 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G12 compound treatment 5.7608 1.17 1.11 5.4405 0.482 0.43 1.0884 0.9149 3093375 BCB01_000130 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(C2C1=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G13 compound treatment 6.0825 1.49 1.41 6.7411 1.78 1.59 2.1242 0.9983 3093376 BCB01_000131 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G14 compound treatment 5.8961 1.31 1.24 6.5642 1.61 1.43 1.8879 0.9973 3000994 BCB01_000132 C/C=C/C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G15 compound treatment 3.7296 -0.859 -0.81 4.7547 -0.204 -0.18 -0.7039 -0.8444 3093377 BCB01_000133 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G16 compound treatment 5.2349 0.646 0.61 5.6284 0.67 0.6 0.8549 0.9999 3000995 BCB01_000134 CCC(CC)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G17 compound treatment 4.8129 0.224 0.21 5.9785 1.02 0.91 0.7933 0.8491 3093378 BCB01_000135 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccco5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G18 compound treatment 4.9361 0.347 0.33 5.4692 0.511 0.46 0.5545 0.9872 3000996 BCB01_000136 CC(C)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G19 compound treatment 6.0478 1.46 1.38 6.5375 1.58 1.41 1.9726 1.0 3093379 BCB01_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G20 compound treatment 6.4643 1.88 1.78 6.1455 1.19 1.06 2.004 0.9695 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G21 compound treatment 6.5908 2.0 1.89 7.1667 2.21 1.97 2.7329 0.9998 3000997 BCB01_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G22 compound treatment 5.5185 0.93 0.88 5.9553 0.997 0.89 1.251 1.0 3093381 BCB01_000140 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G23 mock treatment 4.3532 -0.236 -0.22 4.8424 -0.116 -0.1 -0.2311 -0.9393 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 G24 mock treatment 4.36 -0.229 -0.22 4.9707 0.0121 0.01 -0.1456 -0.6711 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H01 mock treatment 5.419 0.83 0.79 5.3343 0.376 0.34 0.7926 0.9279 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H02 mock treatment 5.7466 1.16 1.1 5.4923 0.534 0.48 1.1116 0.9303 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H03 compound treatment 5.2381 0.649 0.61 5.9668 1.01 0.9 1.0705 0.9827 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H04 compound treatment 5.3314 0.742 0.7 6.5964 1.64 1.46 1.5302 0.9437 3093382 BCB01_000142 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H05 compound treatment 5.108 0.519 0.49 5.4169 0.458 0.41 0.6365 0.9958 3093383 BCB01_000143 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H06 compound treatment 5.7413 1.15 1.09 6.5751 1.62 1.44 1.7911 0.9905 3000999 BCB01_000144 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(C#N)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H07 compound treatment 5.0177 0.429 0.41 5.1255 0.167 0.15 0.3923 0.9074 3093384 BCB01_000145 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H08 compound treatment 5.1193 0.53 0.5 6.4196 1.46 1.3 1.2767 0.914 3093385 BCB01_000146 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H09 compound treatment 5.0602 0.471 0.45 5.64 0.681 0.61 0.7453 0.9884 3001000 BCB01_000147 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H10 compound treatment 3.8304 -0.759 -0.72 4.963 0.00439 0.0 -0.5049 -0.7032 3001068 BCB01_000148 CC1(C)[C@H]2CC1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H11 compound treatment 4.9224 0.333 0.32 6.079 1.12 1.0 0.93 0.8872 3001069 BCB01_000149 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H12 compound treatment 5.1721 0.583 0.55 6.2218 1.26 1.13 1.1872 0.9461 3001070 BCB01_000150 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H13 compound treatment 4.9303 0.341 0.32 5.0438 0.0852 0.08 0.2822 0.8502 3001072 BCB01_000151 C/C=C/C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H14 compound treatment 5.7251 1.14 1.08 6.7421 1.78 1.59 1.8856 0.9818 3093386 BCB01_000152 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)/C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H15 compound treatment 6.0077 1.42 1.34 6.9927 2.03 1.81 2.2329 0.989 3001073 BCB01_000153 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(NC(=O)OC(C)(C)C)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H16 compound treatment 3.8873 -0.702 -0.66 3.5599 -1.4 -1.25 -1.3521 -0.9564 3093387 BCB01_000154 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H17 compound treatment 5.1964 0.607 0.58 5.7343 0.776 0.69 0.896 0.9958 3093388 BCB01_000155 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H18 compound treatment 5.1412 0.552 0.52 5.3721 0.413 0.37 0.6305 0.9854 3001076 BCB01_000156 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(I)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H19 compound treatment 5.5272 0.938 0.89 6.9513 1.99 1.78 1.8852 0.9486 3093389 BCB01_000157 CC(C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H20 compound treatment 4.5051 -0.0839 -0.08 5.8154 0.857 0.76 0.4844 0.6303 3093390 BCB01_000158 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H21 compound treatment 4.8519 0.263 0.25 5.2901 0.331 0.3 0.3851 0.9963 3001078 BCB01_000159 CC(CC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccc(C)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H22 compound treatment 5.4867 0.898 0.85 5.5918 0.633 0.56 1.0004 0.9803 3093391 BCB01_000160 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H23 mock treatment 4.5587 -0.0303 -0.03 5.2969 0.338 0.3 0.1932 0.6371 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 H24 mock treatment 4.3449 -0.244 -0.23 5.888 0.929 0.83 0.423 0.4914 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I01 mock treatment 4.2838 -0.305 -0.29 6.0 1.04 0.93 0.4527 0.4653 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I02 mock treatment 5.7204 1.13 1.07 5.7827 0.824 0.74 1.2772 0.9832 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I03 compound treatment 4.7615 0.173 0.16 5.9434 0.985 0.88 0.7368 0.8244 3001079 BCB01_000161 CN1C(=O)C2C=CC(C(O)c3cccc(O)c3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I04 compound treatment 4.7798 0.191 0.18 5.3234 0.365 0.33 0.3579 0.9614 3093392 BCB01_000162 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I05 compound treatment 4.2067 -0.382 -0.36 5.8295 0.871 0.78 0.2936 0.3425 3093393 BCB01_000163 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I06 compound treatment 4.8606 0.272 0.26 5.3107 0.352 0.31 0.4039 0.9951 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I07 compound treatment 4.848 0.259 0.25 5.2789 0.32 0.29 0.3755 0.9971 3093394 BCB01_000165 CN1C(=O)C2C=CC(C(O)c3cn(C(=O)C)c4ccccc34)N(Nc5ccccc5)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I08 compound treatment 4.7655 0.176 0.17 5.1869 0.228 0.2 0.2622 0.9952 3093395 BCB01_000166 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I09 compound treatment 4.1662 -0.423 -0.4 4.8154 -0.143 -0.13 -0.3733 -0.8886 3001082 BCB01_000167 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I10 compound treatment 4.8706 0.282 0.27 5.2462 0.288 0.26 0.3699 0.9998 3093464 BCB01_000168 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I11 compound treatment 5.034 0.445 0.42 5.7479 0.789 0.7 0.7958 0.9698 3001083 BCB01_000169 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I12 compound treatment 5.0255 0.436 0.41 5.0523 0.0937 0.08 0.3513 0.8333 3093465 BCB01_000170 CN1C(=O)C2C=CC(C(O)c3cccn3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I13 compound treatment 4.8084 0.219 0.21 5.7582 0.8 0.71 0.6514 0.8766 3093466 BCB01_000171 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccc(C)o4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I14 compound treatment 4.9953 0.406 0.38 4.9212 -0.0374 -0.03 0.2484 0.6433 3001084 BCB01_000172 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I15 compound treatment 3.8957 -0.693 -0.66 5.2771 0.318 0.28 -0.2631 -0.3679 3093467 BCB01_000173 CN1C(=O)C2C=CC(C(O)c3cccs3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I16 compound treatment 4.4085 -0.18 -0.17 5.1774 0.219 0.2 0.0172 0.0664 3093468 BCB01_000174 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I17 compound treatment 4.9954 0.406 0.38 5.8593 0.901 0.8 0.8403 0.9431 3001085 BCB01_000175 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I18 compound treatment 4.8883 0.299 0.28 5.6532 0.695 0.62 0.6386 0.9371 3093469 BCB01_000176 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I19 compound treatment 4.5947 0.0057 0.01 5.2296 0.271 0.24 0.1748 0.7227 3001086 BCB01_000177 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccccc5)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I20 compound treatment 5.0622 0.473 0.45 4.5016 -0.457 -0.41 0.0285 0.047 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I21 compound treatment 5.5376 0.949 0.9 5.0057 0.0471 0.04 0.6647 0.7394 3001087 BCB01_000179 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I22 compound treatment 5.6802 1.09 1.03 5.6412 0.683 0.61 1.1611 0.9682 3093471 BCB01_000180 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I23 mock treatment 4.515 -0.074 -0.07 4.6259 -0.333 -0.3 -0.2594 -0.8506 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 I24 mock treatment 4.65 0.061 0.06 5.6995 0.741 0.66 0.5083 0.766 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J01 mock treatment 4.8837 0.295 0.28 5.8827 0.924 0.82 0.7803 0.8965 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J02 mock treatment 5.0642 0.475 0.45 5.8498 0.891 0.8 0.8803 0.9636 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J03 compound treatment 4.7164 0.127 0.12 5.5751 0.617 0.55 0.4743 0.8422 3093472 BCB01_000181 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J04 compound treatment 5.7304 1.14 1.08 7.1634 2.2 1.97 2.155 0.9602 3001088 BCB01_000182 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J05 compound treatment 2.3458 -2.24 -2.12 3.0166 -1.94 -1.73 -2.7266 -0.9949 3093473 BCB01_000183 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J06 compound treatment 4.7046 0.116 0.11 7.5782 2.62 2.34 1.7301 0.7394 3093474 BCB01_000184 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J07 compound treatment 5.2668 0.678 0.64 5.0892 0.131 0.12 0.5361 0.822 3001089 BCB01_000185 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J08 compound treatment 5.4651 0.876 0.83 6.631 1.67 1.49 1.6415 0.9616 3001153 BCB01_000186 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J09 compound treatment 4.629 0.04 0.04 5.3684 0.41 0.37 0.2853 0.7762 3001154 BCB01_000187 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J10 compound treatment 6.1866 1.6 1.51 5.8732 0.915 0.82 1.6463 0.9581 3001156 BCB01_000188 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J11 compound treatment 4.2689 -0.32 -0.3 5.6294 0.671 0.6 0.209 0.3115 3001157 BCB01_000189 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J12 compound treatment 5.6163 1.03 0.97 6.1081 1.15 1.03 1.4128 0.9996 3093475 BCB01_000190 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccco4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J13 compound treatment 4.7284 0.139 0.13 4.7883 -0.17 -0.15 -0.0141 -0.07 3093476 BCB01_000191 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J14 compound treatment 5.312 0.723 0.68 5.5546 0.596 0.53 0.86 0.9922 3001159 BCB01_000192 CCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J15 compound treatment 4.0669 -0.522 -0.49 4.5851 -0.374 -0.33 -0.5851 -0.9816 3093477 BCB01_000193 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J16 compound treatment 5.6711 1.08 1.02 5.4914 0.533 0.48 1.0605 0.939 3001160 BCB01_000194 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J17 compound treatment 3.2232 -1.37 -1.29 3.6462 -1.31 -1.17 -1.7422 -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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J18 compound treatment 4.7181 0.129 0.12 5.8237 0.865 0.77 0.6322 0.809 3093479 BCB01_000196 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J19 compound treatment 4.8465 0.257 0.24 5.9035 0.945 0.84 0.7685 0.8757 3001161 BCB01_000197 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J20 compound treatment 5.3198 0.731 0.69 5.5626 0.604 0.54 0.8702 0.9924 3093480 BCB01_000198 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J21 compound treatment 5.3734 0.784 0.74 5.1756 0.217 0.19 0.662 0.8626 3093481 BCB01_000199 CCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J22 compound treatment 5.7294 1.14 1.08 5.667 0.708 0.63 1.2102 0.9675 3001163 BCB01_000200 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J23 mock treatment 4.4615 -0.127 -0.12 4.9452 -0.0134 -0.01 -0.0937 -0.7734 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 J24 mock treatment 4.314 -0.275 -0.26 4.8888 -0.0698 -0.06 -0.2281 -0.8523 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K01 mock treatment 4.8851 0.296 0.28 4.4325 -0.526 -0.47 -0.1337 -0.2445 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K02 mock treatment 4.3503 -0.239 -0.23 5.1709 0.212 0.19 -0.0258 -0.0875 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K03 compound treatment 4.8713 0.282 0.27 4.8905 -0.0681 -0.06 0.146 0.5328 3093482 BCB01_000201 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccccc4)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K04 compound treatment 5.332 0.743 0.7 5.4627 0.504 0.45 0.8154 0.9767 3001164 BCB01_000202 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K05 compound treatment 3.4835 -1.11 -1.05 4.4805 -0.478 -0.43 -1.0416 -0.9217 3093483 BCB01_000203 CN1C(=O)C2C=CC(C(O)/C=C(\C)/CCC=C(C)C)N(Nc3ccccc3)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K06 compound treatment 4.8912 0.302 0.29 5.5666 0.608 0.54 0.5859 0.9553 3093484 BCB01_000204 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K07 compound treatment 4.1547 -0.434 -0.41 4.9927 0.0341 0.03 -0.2691 -0.653 3000112 BCB01_000205 CN1C(=O)C2C=CC(C(O)C(C)(C)C)N(Nc3ccccc3)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K08 compound treatment 5.2368 0.648 0.61 5.1749 0.216 0.19 0.5701 0.8868 3000114 BCB01_000206 COc1ccc(cc1)C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K09 compound treatment 4.8507 0.262 0.25 5.0309 0.0722 0.06 0.2208 0.8623 3000115 BCB01_000207 CCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K10 compound treatment 4.4116 -0.177 -0.17 4.8972 -0.0614 -0.05 -0.1575 -0.8916 3000116 BCB01_000208 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K11 compound treatment 3.0668 -1.52 -1.44 3.5224 -1.44 -1.28 -1.9249 -0.9983 3000118 BCB01_000209 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K12 compound treatment 5.4345 0.846 0.8 5.1186 0.16 0.14 0.667 0.8203 3093485 BCB01_000210 CCCCC(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K13 compound treatment 4.3599 -0.229 -0.22 4.0935 -0.865 -0.77 -0.699 -0.872 3093645 BCB01_000211 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K14 compound treatment 4.5537 -0.0352 -0.03 4.4128 -0.546 -0.49 -0.3679 -0.7538 3000120 BCB01_000212 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K15 compound treatment 3.668 -0.921 -0.87 4.2324 -0.726 -0.65 -1.0746 -0.9893 3093555 BCB01_000213 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K16 compound treatment 4.8386 0.25 0.24 4.4713 -0.487 -0.43 -0.1404 -0.2836 3093556 BCB01_000214 COc1ccc(C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K17 compound treatment 6.184 1.6 1.51 4.9553 -0.00333 0.0 1.0655 0.7057 3000122 BCB01_000215 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K18 compound treatment 4.4035 -0.185 -0.18 5.4159 0.457 0.41 0.1643 0.37 3093557 BCB01_000216 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K19 compound treatment 5.175 0.586 0.55 5.6341 0.676 0.6 0.8184 0.9991 3000123 BCB01_000217 OC(C#Cc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K20 compound treatment 5.1618 0.573 0.54 5.4373 0.479 0.43 0.6854 0.993 3093558 BCB01_000218 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(C2C1=O)N(c5ccccc5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K21 compound treatment 4.4853 -0.104 -0.1 4.3691 -0.59 -0.53 -0.4413 -0.8248 3093559 BCB01_000219 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K22 compound treatment 5.1022 0.513 0.49 4.4016 -0.557 -0.5 -0.0079 -0.0113 3000124 BCB01_000220 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K23 mock treatment 4.8344 0.245 0.23 4.6399 -0.319 -0.28 -0.0368 -0.1002 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 K24 mock treatment 4.9376 0.349 0.33 5.0604 0.102 0.09 0.2976 0.8693 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L01 mock treatment 4.8644 0.275 0.26 5.8698 0.911 0.81 0.7592 0.8892 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L02 mock treatment 5.0727 0.484 0.46 5.045 0.0864 0.08 0.3783 0.8147 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L03 compound treatment 5.3146 0.726 0.69 5.86 0.901 0.8 1.0544 0.9969 3093560 BCB01_000221 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L04 compound treatment 4.0515 -0.537 -0.51 6.142 1.18 1.06 0.3868 0.33 3093561 BCB01_000222 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L05 compound treatment 4.4391 -0.15 -0.14 5.1427 0.184 0.16 0.0158 0.0729 3000127 BCB01_000223 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L06 compound treatment 4.4314 -0.158 -0.15 5.083 0.124 0.11 -0.027 -0.1453 3093562 BCB01_000224 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L07 compound treatment 5.1543 0.565 0.54 5.5588 0.6 0.54 0.7571 1.0 3093563 BCB01_000225 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L08 compound treatment 4.9021 0.313 0.3 5.5591 0.601 0.54 0.5885 0.961 3000128 BCB01_000226 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L09 compound treatment 4.1743 -0.415 -0.39 4.3733 -0.585 -0.52 -0.6468 -0.9901 3093564 BCB01_000227 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L10 compound treatment 4.8871 0.298 0.28 5.5435 0.585 0.52 0.5686 0.9584 3000129 BCB01_000228 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4c(F)cccc4Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L11 compound treatment 4.4326 -0.156 -0.15 6.2115 1.25 1.12 0.6858 0.6082 3093565 BCB01_000229 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L12 compound treatment 4.9756 0.387 0.37 5.6623 0.704 0.63 0.7027 0.967 3093566 BCB01_000230 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L13 compound treatment 4.9534 0.364 0.34 4.8306 -0.128 -0.11 0.1632 0.449 3000131 BCB01_000231 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L14 compound treatment 6.1967 1.61 1.52 5.8365 0.878 0.78 1.63 0.9523 3093567 BCB01_000232 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L15 compound treatment 5.2577 0.669 0.63 5.001 0.0424 0.04 0.4743 0.748 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L16 compound treatment 4.9675 0.379 0.36 6.1965 1.24 1.1 1.0344 0.8908 3000133 BCB01_000234 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c(C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L17 compound treatment 3.5912 -0.998 -0.94 4.2154 -0.743 -0.66 -1.1367 -0.985 3093569 BCB01_000235 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L18 compound treatment 5.7625 1.17 1.11 5.4225 0.464 0.41 1.0782 0.9095 3000205 BCB01_000236 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L19 compound treatment 3.5215 -1.07 -1.01 4.3832 -0.575 -0.51 -1.0775 -0.9507 3000206 BCB01_000237 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L20 compound treatment 4.5963 0.0073 0.01 5.1508 0.192 0.17 0.1261 0.735 3000207 BCB01_000238 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L21 compound treatment 3.5218 -1.07 -1.01 4.1098 -0.849 -0.76 -1.2498 -0.9899 3000208 BCB01_000239 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L22 compound treatment 5.3206 0.732 0.69 5.3288 0.37 0.33 0.7233 0.9426 3093570 BCB01_000240 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L23 mock treatment 5.1449 0.556 0.53 5.5143 0.556 0.5 0.7227 0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 L24 mock treatment 4.2709 -0.318 -0.3 4.7372 -0.221 -0.2 -0.3526 -0.9791 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M01 mock treatment 4.4561 -0.133 -0.13 5.0936 0.135 0.12 -0.0038 -0.0216 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M02 mock treatment 4.2002 -0.389 -0.37 5.1433 0.185 0.16 -0.1437 -0.3564 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M03 compound treatment 5.2827 0.694 0.66 5.2378 0.279 0.25 0.6405 0.9119 3000209 BCB01_000241 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M04 compound treatment 4.8974 0.308 0.29 5.6157 0.657 0.59 0.621 0.9482 3093571 BCB01_000242 C/C=C/C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M05 compound treatment 4.4298 -0.159 -0.15 5.1536 0.195 0.17 0.0165 0.0719 3093572 BCB01_000243 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M06 compound treatment 4.3876 -0.201 -0.19 4.9113 -0.0473 -0.04 -0.1646 -0.8432 3000211 BCB01_000244 CC(C)C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M07 compound treatment 4.6742 0.0853 0.08 5.1053 0.147 0.13 0.1496 0.973 3093573 BCB01_000245 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M08 compound treatment 3.7604 -0.829 -0.78 4.8011 -0.157 -0.14 -0.6539 -0.8207 3093574 BCB01_000246 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M09 compound treatment 3.0604 -1.53 -1.45 3.9705 -0.988 -0.88 -1.6465 -0.9718 3000213 BCB01_000247 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M10 compound treatment 7.3685 2.78 2.63 7.0023 2.04 1.82 3.1498 0.984 3093575 BCB01_000248 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M11 compound treatment 4.9847 0.396 0.37 4.3877 -0.571 -0.51 -0.0953 -0.1507 3000215 BCB01_000249 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M12 compound treatment 4.2508 -0.338 -0.32 4.9914 0.0328 0.03 -0.2057 -0.6399 3093576 BCB01_000250 CC(C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M13 compound treatment 4.9487 0.36 0.34 4.8989 -0.0597 -0.05 0.2031 0.5894 3093646 BCB01_000251 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M14 compound treatment 4.1799 -0.409 -0.39 5.1086 0.15 0.13 -0.1792 -0.4374 3000219 BCB01_000252 CN1C(=O)C2C=CC(C(O)c3cccs3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M15 compound treatment 4.9907 0.402 0.38 4.6398 -0.319 -0.28 0.0678 0.1427 3093647 BCB01_000253 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M16 compound treatment 4.757 0.168 0.16 5.346 0.387 0.35 0.3569 0.938 3000221 BCB01_000254 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M17 compound treatment 5.1485 0.56 0.53 6.4032 1.44 1.29 1.2859 0.9228 3093648 BCB01_000255 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M18 compound treatment 5.2392 0.65 0.62 4.5256 -0.433 -0.39 0.162 0.223 3093649 BCB01_000256 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M19 compound treatment 4.9621 0.373 0.35 5.9779 1.02 0.91 0.8929 0.9151 3000223 BCB01_000257 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M20 compound treatment 4.5082 -0.0807 -0.08 5.1961 0.237 0.21 0.0958 0.4252 3093650 BCB01_000258 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M21 compound treatment 5.4587 0.87 0.82 5.6125 0.654 0.58 0.9947 0.9858 3093651 BCB01_000259 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M22 compound treatment 6.3136 1.72 1.63 5.4533 0.495 0.44 1.4665 0.8672 3000225 BCB01_000260 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M23 mock treatment 4.5384 -0.0506 -0.05 4.9762 0.0176 0.02 -0.0228 -0.4521 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 M24 mock treatment 4.0673 -0.522 -0.49 5.7522 0.794 0.71 0.1515 0.1755 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N01 mock treatment 5.1943 0.605 0.57 5.249 0.29 0.26 0.5884 0.9356 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N02 mock treatment 4.7659 0.177 0.17 5.0435 0.0849 0.08 0.172 0.9356 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N03 compound treatment 3.6998 -0.889 -0.84 4.9182 -0.0404 -0.04 -0.6207 -0.7367 3093652 BCB01_000261 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N04 compound treatment 5.1709 0.582 0.55 5.3896 0.431 0.38 0.6614 0.9846 3093653 BCB01_000262 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N05 compound treatment 4.2316 -0.357 -0.34 5.3773 0.419 0.37 0.025 0.0496 3000227 BCB01_000263 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N06 compound treatment 5.3281 0.739 0.7 5.0794 0.121 0.11 0.5709 0.8065 3093654 BCB01_000264 C/C=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N07 compound treatment 2.244 -2.34 -2.22 2.3745 -2.58 -2.31 -3.1999 -0.9998 3093655 BCB01_000265 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N08 compound treatment 4.855 0.266 0.25 5.1837 0.225 0.2 0.3201 0.9937 3000229 BCB01_000266 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N09 compound treatment 4.0268 -0.562 -0.53 3.9394 -1.02 -0.91 -1.0193 -0.9674 3093656 BCB01_000267 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N10 compound treatment 4.6548 0.0658 0.06 6.3853 1.43 1.27 0.9441 0.7408 3000231 BCB01_000268 CC(C)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N11 compound treatment 5.0759 0.487 0.46 5.3862 0.428 0.38 0.5956 0.9956 3093657 BCB01_000269 CC(C)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N12 compound treatment 5.4668 0.878 0.83 5.3665 0.408 0.36 0.845 0.9314 3000297 BCB01_000270 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N13 compound treatment 6.558 1.97 1.86 8.0367 3.08 2.75 3.2599 0.9822 3000298 BCB01_000271 OB(O)c1ccc(cc1)C(O)C2C=CC3CN(C(=O)C3N2Nc4ccc(C#N)cc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N14 compound treatment 4.6746 0.0856 0.08 6.6862 1.73 1.54 1.1472 0.7433 3000299 BCB01_000272 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N15 compound treatment 5.6171 1.03 0.97 4.6184 -0.34 -0.3 0.4736 0.4645 3093658 BCB01_000273 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N16 compound treatment 5.7389 1.15 1.09 6.1855 1.23 1.09 1.5437 1.0 3093659 BCB01_000274 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N17 compound treatment 4.2989 -0.29 -0.27 6.0125 1.05 0.94 0.4708 0.4806 3000301 BCB01_000275 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N18 compound treatment 5.1807 0.592 0.56 6.1454 1.19 1.06 1.1448 0.9557 3093660 BCB01_000276 CC(C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N19 compound treatment 5.1563 0.567 0.54 5.0644 0.106 0.09 0.4465 0.8188 3093661 BCB01_000277 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N20 compound treatment 4.4255 -0.163 -0.15 5.6501 0.691 0.62 0.3268 0.5139 3000302 BCB01_000278 CC(CC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C)o4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N21 compound treatment 4.1655 -0.423 -0.4 5.001 0.0424 0.04 -0.2567 -0.6375 3093662 BCB01_000279 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N22 compound treatment 4.5407 -0.0482 -0.05 5.4917 0.533 0.48 0.3041 0.6363 3093663 BCB01_000280 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N23 mock treatment 4.1275 -0.462 -0.44 5.5664 0.608 0.54 0.0745 0.107 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 N24 mock treatment 4.2523 -0.337 -0.32 4.6765 -0.282 -0.25 -0.4033 -0.9932 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O01 mock treatment 4.0168 -0.572 -0.54 4.3266 -0.632 -0.56 -0.7817 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O02 mock treatment 3.6313 -0.958 -0.91 4.3891 -0.57 -0.51 -1.0003 -0.9626 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O03 compound treatment 1.74 -2.85 -2.7 1.8959 -3.06 -2.73 -3.8391 -1.0 3000303 BCB01_000281 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O04 compound treatment 6.5146 1.93 1.82 6.5631 1.6 1.43 2.3012 0.9929 3093664 BCB01_000282 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O05 compound treatment 2.282 -2.31 -2.18 2.8315 -2.13 -1.9 -2.8861 -0.9976 3093665 BCB01_000283 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O06 compound treatment 6.2269 1.64 1.55 6.2364 1.28 1.14 1.9025 0.9886 3000304 BCB01_000284 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O07 compound treatment 5.3515 0.763 0.72 5.2384 0.28 0.25 0.6869 0.8994 3093666 BCB01_000285 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O08 compound treatment 5.4019 0.813 0.77 5.0306 0.072 0.06 0.5896 0.7635 3093667 BCB01_000286 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)C(=O)C)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O09 compound treatment 4.7716 0.183 0.17 5.4347 0.476 0.42 0.4226 0.9215 3000307 BCB01_000287 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O10 compound treatment 3.8645 -0.724 -0.69 4.0054 -0.953 -0.85 -1.0863 -0.9943 3093736 BCB01_000288 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O11 compound treatment 3.3959 -1.19 -1.13 3.4019 -1.56 -1.39 -1.7807 -0.9947 3000308 BCB01_000289 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O12 compound treatment 4.3135 -0.275 -0.26 3.322 -1.64 -1.46 -1.2169 -0.8204 3093737 BCB01_000290 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O13 compound treatment 4.2852 -0.304 -0.29 5.2365 0.278 0.25 -0.028 -0.0737 3093738 BCB01_000291 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O14 compound treatment 3.776 -0.813 -0.77 4.4348 -0.524 -0.47 -0.8747 -0.9714 3000310 BCB01_000292 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O15 compound treatment 4.0727 -0.516 -0.49 3.928 -1.03 -0.92 -0.9957 -0.9563 3093739 BCB01_000293 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O16 compound treatment 4.7659 0.177 0.17 4.169 -0.79 -0.7 -0.3797 -0.5244 3000311 BCB01_000294 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O17 compound treatment 3.9507 -0.638 -0.6 3.4058 -1.55 -1.39 -1.4069 -0.9308 3093740 BCB01_000295 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O18 compound treatment 3.7357 -0.853 -0.81 3.78 -1.18 -1.05 -1.3147 -0.9915 3093741 BCB01_000296 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O19 compound treatment 4.5312 -0.0578 -0.05 5.9206 0.962 0.86 0.5682 0.6607 3000313 BCB01_000297 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O20 compound treatment 3.0115 -1.58 -1.49 3.1607 -1.8 -1.6 -2.1902 -0.9994 3093742 BCB01_000298 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O21 compound treatment 4.2343 -0.355 -0.34 3.2663 -1.69 -1.51 -1.3051 -0.8437 3000315 BCB01_000299 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O22 compound treatment 3.5121 -1.08 -1.02 3.8208 -1.14 -1.02 -1.4386 -1.0 3093743 BCB01_000300 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)C(C)C)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O23 mock treatment 3.1785 -1.41 -1.34 4.2365 -0.722 -0.64 -1.3996 -0.9442 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 O24 mock treatment 3.8803 -0.709 -0.67 3.8175 -1.14 -1.02 -1.1943 -0.9795 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P01 mock treatment 4.919 0.33 0.31 4.1761 -0.783 -0.7 -0.2728 -0.3566 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P02 mock treatment 4.3319 -0.257 -0.24 4.0458 -0.913 -0.81 -0.7479 -0.8799 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P03 compound treatment 3.65 -0.939 -0.89 4.4516 -0.507 -0.45 -0.9483 -0.9509 3000135 BCB01_000301 CC(C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P04 compound treatment 3.9191 -0.67 -0.63 4.848 -0.111 -0.1 -0.5181 -0.8074 3000137 BCB01_000302 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P05 compound treatment 3.6519 -0.937 -0.89 4.9556 -0.00298 0.0 -0.6291 -0.7092 3000138 BCB01_000303 CC(CC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P06 compound treatment 4.5319 -0.057 -0.05 4.9271 -0.0316 -0.03 -0.0581 -0.9539 3000139 BCB01_000304 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C#N)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P07 compound treatment 3.7745 -0.814 -0.77 4.3782 -0.58 -0.52 -0.9113 -0.9813 3093744 BCB01_000305 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P08 compound treatment 3.8944 -0.695 -0.66 4.66 -0.299 -0.27 -0.6533 -0.9209 3000141 BCB01_000306 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P09 compound treatment 2.165 -2.42 -2.29 2.9878 -1.97 -1.76 -2.8659 -0.9914 3093745 BCB01_000307 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P10 compound treatment 4.0601 -0.529 -0.5 4.9123 -0.0463 -0.04 -0.3832 -0.7629 3093746 BCB01_000308 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(Br)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P11 compound treatment 3.5783 -1.01 -0.96 4.0958 -0.863 -0.77 -1.2208 -0.9942 3000143 BCB01_000309 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P12 compound treatment 4.7489 0.16 0.15 4.2533 -0.705 -0.63 -0.3379 -0.5221 3093747 BCB01_000310 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P13 compound treatment 3.4748 -1.11 -1.05 3.9834 -0.975 -0.87 -1.361 -0.9954 3093748 BCB01_000311 CC(=CCC/C=C(\C)/C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P14 compound treatment 4.4941 -0.0949 -0.09 4.4494 -0.509 -0.45 -0.3848 -0.8308 3000145 BCB01_000312 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)/C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P15 compound treatment 3.1971 -1.39 -1.32 4.1586 -0.8 -0.71 -1.4363 -0.9585 3093749 BCB01_000313 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P16 compound treatment 4.1229 -0.466 -0.44 4.3311 -0.628 -0.56 -0.7079 -0.993 3093750 BCB01_000314 OCC(O)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P17 compound treatment 3.7709 -0.818 -0.77 4.9926 0.0339 0.03 -0.5261 -0.6789 3000147 BCB01_000315 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(I)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P18 compound treatment 3.4726 -1.12 -1.06 3.8741 -1.08 -0.97 -1.4314 -0.999 3093751 BCB01_000316 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P19 compound treatment 4.4467 -0.142 -0.13 5.2282 0.27 0.24 0.0748 0.2715 3093752 BCB01_000317 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P20 compound treatment 4.1182 -0.471 -0.45 3.5874 -1.37 -1.22 -1.1802 -0.9064 3000149 BCB01_000318 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P21 compound treatment 4.6862 0.0972 0.09 4.2882 -0.67 -0.6 -0.3579 -0.5914 3093752 BCB01_000319 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P22 compound treatment 3.2713 -1.32 -1.25 3.6604 -1.3 -1.16 -1.701 -0.9993 3093753 BCB01_000320 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P23 mock treatment 3.3443 -1.24 -1.18 3.8803 -1.08 -0.96 -1.5134 -0.9949 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2000 P24 mock treatment 2.987 -1.6 -1.52 3.8731 -1.09 -0.97 -1.757 -0.9765 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A01 compound treatment 6.0329 1.59 1.51 6.6581 1.77 1.58 2.1811 0.9998 3000745 BCB02_000001 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A02 compound treatment 4.2488 -0.19 -0.18 3.9584 -0.933 -0.83 -0.7163 -0.8407 3000746 BCB02_000002 CC(C)OC(=O)C1=CCC(O1)c2cccc(Cl)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A03 compound treatment 5.0298 0.591 0.56 6.0308 1.14 1.02 1.1139 0.9603 3000747 BCB02_000003 OC(C1CCCCC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A04 compound treatment 4.2117 -0.228 -0.22 4.7489 -0.143 -0.13 -0.2423 -0.9686 3000748 BCB02_000004 CCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A05 compound treatment 4.4684 0.0292 0.03 5.2173 0.326 0.29 0.225 0.7709 3000749 BCB02_000005 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A06 compound treatment 3.5396 -0.9 -0.85 4.4012 -0.49 -0.44 -0.9116 -0.9521 3000750 BCB02_000006 COC(=O)C1=CCC(O1)c2cccc(Cl)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A07 compound treatment 4.6511 0.212 0.2 4.9842 0.0926 0.08 0.2002 0.9231 3093754 BCB02_000007 CCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A08 compound treatment 4.8307 0.391 0.37 5.9197 1.03 0.92 0.9106 0.9205 2065163 BCB02_000008 CCOC(=O)/C=C/c1ccccc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A09 compound treatment 5.3614 0.922 0.87 6.9453 2.05 1.83 1.9129 0.9425 3093755 BCB02_000009 CCCCCCCCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A10 compound treatment 5.1187 0.679 0.64 5.4521 0.56 0.5 0.8084 0.9922 3000752 BCB02_000010 CCOC(=O)/C=C/c1cc(F)ccc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A11 compound treatment 5.1587 0.72 0.68 5.0691 0.177 0.16 0.5936 0.8489 3093756 BCB02_000011 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A12 compound treatment 6.3714 1.93 1.83 6.1167 1.23 1.09 2.0662 0.9697 3000753 BCB02_000012 CCOC(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A13 compound treatment 5.0238 0.585 0.55 4.9402 0.0486 0.04 0.4219 0.7601 3093757 BCB02_000013 COc1ccc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A14 compound treatment 10.3219 5.88 5.57 9.7346 4.84 4.32 6.9929 0.9921 3000754 BCB02_000014 CCOC(=O)/C=C/c1cccc(OC)c1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A15 compound treatment 5.2442 0.805 0.76 4.9396 0.0479 0.04 0.569 0.7456 3093824 BCB02_000015 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A16 compound treatment 5.4906 1.05 1.0 6.1618 1.27 1.13 1.505 0.9979 3000755 BCB02_000016 CCOC(=O)/C=C/c1cccc(C)c1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A17 mock treatment 4.5344 0.0951 0.09 6.2393 1.35 1.2 0.9139 0.7579 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A18 mock treatment 4.2188 -0.22 -0.21 5.7514 0.86 0.77 0.3949 0.4967 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A19 mock treatment 4.3678 -0.0715 -0.07 5.4817 0.59 0.53 0.3244 0.6112 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A20 mock treatment 4.3668 -0.0724 -0.07 4.8895 -0.0021 0.0 -0.0498 -0.7262 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A21 mock treatment 4.6112 0.172 0.16 4.8745 -0.0171 -0.02 0.1043 0.638 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A22 mock treatment 4.8509 0.412 0.39 4.6321 -0.26 -0.23 0.1118 0.2466 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A23 mock treatment 4.4204 -0.0188 -0.02 4.6108 -0.281 -0.25 -0.1898 -0.7555 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 A24 mock treatment 4.9945 0.555 0.53 4.3728 -0.519 -0.46 0.0443 0.0633 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B01 compound treatment 4.8866 0.447 0.42 4.9936 0.102 0.09 0.3637 0.8398 3093825 BCB02_000017 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B02 compound treatment 7.0187 2.58 2.44 6.234 1.34 1.2 2.5734 0.9462 3000756 BCB02_000018 CCOC(=O)C1=CCC(N(CCN2CC(=CCC2c3cc4ccccc4[nH]3)C(=O)OCC)C1)c5cc6ccccc6[nH]5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B03 compound treatment 5.1946 0.755 0.72 5.8303 0.939 0.84 1.0978 0.9969 3093826 BCB02_000019 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B04 compound treatment 2.2544 -2.18 -2.07 2.8977 -1.99 -1.78 -2.7203 -0.9972 3000757 BCB02_000020 CC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B05 compound treatment 4.6907 0.251 0.24 5.4892 0.598 0.53 0.5452 0.9339 3093827 BCB02_000021 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(s5)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B06 compound treatment 1.8643 -2.57 -2.44 1.8318 -3.06 -2.73 -3.6539 -0.9984 3093828 BCB02_000022 Cc1ccc(cc1)[C@@H]2C[C@@H](Sc3ccccc3)[C@@H](CN2S(=O)(=O)c4ccc(C)cc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B07 compound treatment 4.6346 0.195 0.18 4.628 -0.264 -0.24 -0.0355 -0.1188 3000758 BCB02_000023 CC(C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B08 compound treatment 3.2342 -1.2 -1.14 2.9116 -1.98 -1.77 -2.0558 -0.9776 3093829 BCB02_000024 Cc1ccc(cc1)C2CC=C(CN2S(=O)(=O)c3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B09 compound treatment 4.6674 0.228 0.22 5.2609 0.369 0.33 0.3857 0.979 3000759 BCB02_000025 CC(CC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(C)o5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B10 compound treatment 3.7173 -0.722 -0.68 4.0223 -0.869 -0.78 -1.0317 -0.998 3093830 BCB02_000026 Cc1ccc(cc1)S(=O)(=O)N2CC(=CCC2c3ccccc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B11 compound treatment 4.7633 0.324 0.31 5.8048 0.913 0.81 0.793 0.9109 3093831 BCB02_000027 OC(Cc1ccccc1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B12 compound treatment 1.8365 -2.6 -2.46 1.9942 -2.9 -2.59 -3.5701 -0.9997 3000760 BCB02_000028 Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B13 compound treatment 3.245 -1.19 -1.13 3.8083 -1.08 -0.97 -1.4828 -0.997 3093832 BCB02_000029 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B14 compound treatment 2.1998 -2.24 -2.12 2.6895 -2.2 -1.96 -2.8882 -0.9993 3093833 BCB02_000030 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B15 compound treatment 5.0733 0.634 0.6 4.2013 -0.69 -0.62 -0.0111 -0.0129 3000761 BCB02_000031 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B16 compound treatment 1.6505 -2.79 -2.64 1.9349 -2.96 -2.64 -3.732 -1.0 3093834 BCB02_000032 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(C#N)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B17 mock treatment 4.9341 0.495 0.47 4.7873 -0.104 -0.09 0.2654 0.5557 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B18 mock treatment 4.3251 -0.114 -0.11 5.0694 0.178 0.16 0.0358 0.1864 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B19 mock treatment 4.38 -0.0592 -0.06 4.7408 -0.151 -0.13 -0.1348 -0.9247 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B20 mock treatment 3.718 -0.721 -0.68 5.083 0.191 0.17 -0.362 -0.5144 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B21 mock treatment 5.0407 0.601 0.57 4.9566 0.065 0.06 0.4436 0.7751 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B22 mock treatment 4.0562 -0.383 -0.36 5.3812 0.49 0.44 0.0525 0.0925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B23 mock treatment 4.9434 0.504 0.48 5.6125 0.721 0.64 0.7922 0.9892 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 B24 mock treatment 4.3012 -0.138 -0.13 4.7704 -0.121 -0.11 -0.1689 -0.9956 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C01 compound treatment 4.7934 0.354 0.34 5.5073 0.616 0.55 0.6255 0.9719 3093835 BCB02_000033 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C02 compound treatment 4.9599 0.521 0.49 5.6211 0.729 0.65 0.8087 0.9906 3000762 BCB02_000034 CCOC(=O)/C=C/c1ccccc1OC(=O)C#CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C03 compound treatment 5.1899 0.751 0.71 4.4961 -0.396 -0.35 0.2529 0.3188 3000763 BCB02_000035 Cc1ccccc1C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C04 compound treatment 4.7262 0.287 0.27 5.3487 0.457 0.41 0.4804 0.9805 3093836 BCB02_000036 CCOC(=O)[C@H]1CC=C2[C@@H]1c3ccccc3OC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C05 compound treatment 5.2744 0.835 0.79 4.6745 -0.217 -0.19 0.422 0.5185 3093837 BCB02_000037 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C06 compound treatment 3.6495 -0.79 -0.75 4.4335 -0.458 -0.41 -0.8176 -0.9597 3000764 BCB02_000038 CCOC(=O)[C@H]1CC=C2[C@@H]1c3cc(Br)ccc3OC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C07 compound treatment 5.0079 0.569 0.54 4.7092 -0.182 -0.16 0.2655 0.4722 3093838 BCB02_000039 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C08 compound treatment 4.2304 -0.209 -0.2 5.3158 0.424 0.38 0.1278 0.2994 3000765 BCB02_000040 CCOC(=O)/C=C/c1cc(Br)ccc1OC(=O)C#CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C09 compound treatment 4.5256 0.0864 0.08 4.3903 -0.501 -0.45 -0.2585 -0.5684 3093839 BCB02_000041 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C10 compound treatment 5.5272 1.09 1.03 5.8745 0.983 0.88 1.3483 0.9968 3000766 BCB02_000042 O=c1oc2ccccc2cc1C#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C11 compound treatment 4.0569 -0.382 -0.36 5.8837 0.992 0.89 0.37 0.3869 3093840 BCB02_000043 OC(C1CCC=CC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C12 compound treatment 3.4295 -1.01 -0.96 3.5476 -1.34 -1.2 -1.5238 -0.9937 3000767 BCB02_000044 Cn1c2C3NC(C(=O)c2c4ccccc14)C(C)(C=C3)C(=O)OCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C13 compound treatment 4.6892 0.25 0.24 4.9216 0.0299 0.03 0.1862 0.782 3093841 BCB02_000045 CC(=O)n1cc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C14 compound treatment 1.3179 -3.12 -2.95 1.36 -3.53 -3.15 -4.3173 -0.9995 3000768 BCB02_000046 [O-][N+](=O)c1ccccc1S(=O)(=O)N2C3CC=C(C2C(=O)c4c3[nH]c5ccccc45)C(=O)OCc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C15 compound treatment 3.9568 -0.482 -0.46 4.9248 0.0331 0.03 -0.302 -0.6599 3093842 BCB02_000047 CCCCC(CC)C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C16 compound treatment 3.5946 -0.845 -0.8 4.5588 -0.333 -0.3 -0.7753 -0.9091 3093843 BCB02_000048 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C17 mock treatment 4.1818 -0.257 -0.24 4.1165 -0.775 -0.69 -0.6613 -0.9019 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C18 mock treatment 3.8957 -0.544 -0.51 4.5117 -0.38 -0.34 -0.6035 -0.9795 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C19 mock treatment 3.7869 -0.652 -0.62 4.6597 -0.232 -0.21 -0.583 -0.8952 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C20 mock treatment 3.723 -0.716 -0.68 4.1225 -0.769 -0.69 -0.9646 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C21 mock treatment 4.1859 -0.253 -0.24 4.2162 -0.675 -0.6 -0.5957 -0.9184 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C22 mock treatment 3.5096 -0.93 -0.88 4.3427 -0.549 -0.49 -0.9686 -0.9617 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C23 mock treatment 3.737 -0.702 -0.66 4.3653 -0.526 -0.47 -0.8021 -0.9855 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 C24 mock treatment 4.2224 -0.217 -0.21 4.2127 -0.679 -0.61 -0.5735 -0.8966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D01 compound treatment 4.3505 -0.0888 -0.08 5.7079 0.816 0.73 0.4556 0.6214 3000769 BCB02_000049 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D02 compound treatment 2.1724 -2.27 -2.15 2.9419 -1.95 -1.74 -2.7474 -0.9946 3093844 BCB02_000050 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D03 compound treatment 3.6373 -0.802 -0.76 3.8797 -1.01 -0.9 -1.1752 -0.9963 3093845 BCB02_000051 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D04 compound treatment 2.3341 -2.11 -1.99 2.4167 -2.47 -2.21 -2.9705 -0.9987 3000770 BCB02_000052 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2c3ccccc3)Sc4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D05 compound treatment 3.7024 -0.737 -0.7 4.6825 -0.209 -0.19 -0.6252 -0.8658 3093846 BCB02_000053 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c(C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D06 compound treatment 4.2591 -0.18 -0.17 4.447 -0.445 -0.4 -0.4011 -0.9289 3000771 BCB02_000054 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D07 compound treatment 3.7071 -0.732 -0.69 3.6994 -1.19 -1.06 -1.2422 -0.9785 3092586 BCB02_000055 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D08 compound treatment 2.6552 -1.78 -1.69 2.6244 -2.27 -2.02 -2.6245 -0.996 3092495 BCB02_000056 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D09 compound treatment 3.6664 -0.773 -0.73 4.0296 -0.862 -0.77 -1.0611 -0.9997 3000772 BCB02_000057 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D10 compound treatment 2.5916 -1.85 -1.75 2.471 -2.42 -2.16 -2.7638 -0.9945 3092496 BCB02_000058 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D11 compound treatment 4.3069 -0.132 -0.13 4.3377 -0.554 -0.49 -0.4381 -0.8592 3092497 BCB02_000059 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D12 compound treatment 2.2022 -2.24 -2.12 2.5353 -2.36 -2.1 -2.9839 -1.0 3000773 BCB02_000060 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D13 compound treatment 3.2892 -1.15 -1.09 3.5504 -1.34 -1.2 -1.6159 -0.9989 3092498 BCB02_000061 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D14 compound treatment 2.242 -2.2 -2.08 2.0513 -2.84 -2.53 -3.2627 -0.9952 3000774 BCB02_000062 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D15 compound treatment 3.5441 -0.895 -0.85 4.2481 -0.644 -0.57 -1.0052 -0.982 3092499 BCB02_000063 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)/C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D16 compound treatment 2.5311 -1.91 -1.81 2.9023 -1.99 -1.77 -2.5322 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D17 mock treatment 4.5981 0.159 0.15 4.9286 0.037 0.03 0.1297 0.8423 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D18 mock treatment 3.7714 -0.668 -0.63 3.9625 -0.929 -0.83 -1.0332 -0.991 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D19 mock treatment 3.728 -0.711 -0.67 3.7229 -1.17 -1.04 -1.2134 -0.9776 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D20 mock treatment 4.1584 -0.281 -0.27 4.2767 -0.615 -0.55 -0.5759 -0.9447 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D21 mock treatment 3.9949 -0.444 -0.42 4.3812 -0.51 -0.46 -0.6195 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D22 mock treatment 3.4292 -1.01 -0.96 4.2485 -0.643 -0.57 -1.0818 -0.9702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D23 mock treatment 3.4551 -0.984 -0.93 3.8778 -1.01 -0.9 -1.2983 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 D24 mock treatment 3.2953 -1.14 -1.08 4.0685 -0.823 -0.73 -1.285 -0.9821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E01 compound treatment 4.7049 0.266 0.25 5.2274 0.336 0.3 0.3896 0.9962 3092500 BCB02_000065 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E02 compound treatment 4.9497 0.51 0.48 5.8347 0.943 0.84 0.9366 0.9653 3000776 BCB02_000066 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(CC)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E03 compound treatment 5.0127 0.573 0.54 4.8373 -0.0544 -0.05 0.3495 0.6414 3000847 BCB02_000067 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E04 compound treatment 3.6125 -0.827 -0.78 4.1495 -0.742 -0.66 -1.0216 -0.9965 3000848 BCB02_000068 CCOC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(CC)C2=O)Sc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E05 compound treatment 4.8193 0.38 0.36 4.8975 0.00587 0.01 0.2581 0.7173 3000849 BCB02_000069 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(Br)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E06 compound treatment 4.5224 0.0832 0.08 4.6027 -0.289 -0.26 -0.1266 -0.4697 3000850 BCB02_000070 OC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E07 compound treatment 4.9741 0.535 0.51 5.0796 0.188 0.17 0.4766 0.8935 3000851 BCB02_000071 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E08 compound treatment 5.0654 0.626 0.59 5.9138 1.02 0.91 1.064 0.9782 3092501 BCB02_000072 OC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3)Sc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E09 compound treatment 4.4978 0.0586 0.06 4.5692 -0.322 -0.29 -0.1642 -0.5605 3000852 BCB02_000073 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E10 compound treatment 2.5412 -1.9 -1.8 3.1066 -1.79 -1.59 -2.3966 -0.9982 3092502 BCB02_000074 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E11 compound treatment 3.9555 -0.484 -0.46 3.8198 -1.07 -0.96 -1.0 -0.9432 3092503 BCB02_000075 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E12 compound treatment 1.7284 -2.71 -2.57 1.8479 -3.04 -2.72 -3.7347 -0.9996 3000853 BCB02_000076 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E13 compound treatment 5.093 0.654 0.62 5.7435 0.852 0.76 0.975 0.9948 3092504 BCB02_000077 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E14 compound treatment 4.6678 0.229 0.22 4.0461 -0.846 -0.75 -0.3804 -0.4848 3000854 BCB02_000078 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E15 compound treatment 4.4277 -0.0115 -0.01 4.5192 -0.372 -0.33 -0.2427 -0.7299 3092505 BCB02_000079 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E16 compound treatment 2.8215 -1.62 -1.53 3.3318 -1.56 -1.39 -2.0669 -0.9989 3000855 BCB02_000080 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E17 mock treatment 4.4894 0.0502 0.05 5.0349 0.143 0.13 0.124 0.9091 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E18 mock treatment 4.06 -0.379 -0.36 4.7497 -0.142 -0.13 -0.3434 -0.902 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E19 mock treatment 3.8203 -0.619 -0.59 4.4181 -0.474 -0.42 -0.713 -0.9871 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E20 mock treatment 4.6715 0.232 0.22 4.2316 -0.66 -0.59 -0.2609 -0.4151 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E21 mock treatment 4.5442 0.105 0.1 4.4485 -0.443 -0.4 -0.2093 -0.5133 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E22 mock treatment 4.4314 -0.00789 -0.01 5.0676 0.176 0.16 0.1057 0.6727 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E23 mock treatment 3.8023 -0.637 -0.6 5.5157 0.624 0.56 -0.0326 -0.0397 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 E24 mock treatment 4.6346 0.195 0.18 4.5019 -0.39 -0.35 -0.1151 -0.2924 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F01 compound treatment 4.22 -0.219 -0.21 5.32 0.428 0.38 0.1235 0.284 3092506 BCB02_000081 OC(COCc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F02 compound treatment 1.8908 -2.55 -2.41 2.284 -2.61 -2.33 -3.3509 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F03 compound treatment 6.1743 1.74 1.64 5.8656 0.974 0.87 1.7758 0.9557 3000856 BCB02_000083 COc1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F04 compound treatment 4.087 -0.352 -0.33 4.0081 -0.884 -0.79 -0.7932 -0.9267 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F05 compound treatment 5.4975 1.06 1.0 4.4109 -0.481 -0.43 0.4051 0.3717 3092509 BCB02_000085 CCCCC(O)C1C=CC2C(N1Nc3ccc(OC)cc3)C(=O)N(C4CCCCC4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F06 compound treatment 3.5518 -0.887 -0.84 4.7153 -0.176 -0.16 -0.7053 -0.8252 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F07 compound treatment 6.0563 1.62 1.53 5.9983 1.11 0.99 1.7806 0.9775 3092510 BCB02_000087 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F08 compound treatment 3.7444 -0.695 -0.66 4.9219 0.0302 0.03 -0.446 -0.6775 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F09 compound treatment 4.2606 -0.179 -0.17 6.0071 1.12 1.0 0.5841 0.5786 3092511 BCB02_000089 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F10 compound treatment 2.4007 -2.04 -1.93 3.5015 -1.39 -1.24 -2.2415 -0.9772 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F11 compound treatment 4.8846 0.445 0.42 4.2584 -0.633 -0.56 -0.1014 -0.1438 3092512 BCB02_000091 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F12 compound treatment 2.8382 -1.6 -1.52 3.036 -1.86 -1.66 -2.2423 -0.999 3092513 BCB02_000092 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F13 compound treatment 7.1565 2.72 2.57 7.774 2.88 2.57 3.6372 1.0 3000860 BCB02_000093 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F14 compound treatment 1.0455 -3.39 -3.21 1.4872 -3.4 -3.04 -4.4194 -0.9996 3092514 BCB02_000094 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F15 compound treatment 5.8976 1.46 1.38 5.3372 0.446 0.4 1.2573 0.8752 3092515 BCB02_000095 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F16 compound treatment 2.6494 -1.79 -1.69 2.7573 -2.13 -1.9 -2.5446 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F17 mock treatment 4.2495 -0.19 -0.18 4.438 -0.454 -0.4 -0.4133 -0.9332 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F18 mock treatment 4.6432 0.204 0.19 5.8363 0.945 0.84 0.7325 0.8471 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F19 mock treatment 4.1925 -0.247 -0.23 5.3377 0.446 0.4 0.1162 0.2519 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F20 mock treatment 4.1508 -0.288 -0.27 5.3242 0.433 0.39 0.0798 0.1689 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F21 mock treatment 4.5812 0.142 0.13 4.3581 -0.534 -0.48 -0.2415 -0.4884 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F22 mock treatment 6.1519 1.71 1.62 5.0709 0.179 0.16 1.2595 0.7731 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F23 mock treatment 4.9835 0.544 0.52 5.0415 0.15 0.13 0.4589 0.8621 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 F24 mock treatment 3.6658 -0.773 -0.73 4.1561 -0.736 -0.66 -0.9818 -0.9985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G01 compound treatment 5.5963 1.16 1.1 5.2248 0.333 0.3 0.9847 0.8676 3092516 BCB02_000097 CC(C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G02 compound treatment 1.7307 -2.71 -2.56 2.26 -2.63 -2.35 -3.4732 -0.999 3000862 BCB02_000098 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2C)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G03 compound treatment 5.5561 1.12 1.06 5.9128 1.02 0.91 1.3918 0.9973 3092587 BCB02_000099 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G04 compound treatment 2.5366 -1.9 -1.8 2.9961 -1.9 -1.69 -2.4694 -0.9995 3000863 BCB02_000100 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)C[Si](C)(C)C)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G05 compound treatment 4.8702 0.431 0.41 4.225 -0.667 -0.59 -0.1321 -0.1831 3092588 BCB02_000101 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G06 compound treatment 1.9134 -2.53 -2.39 2.041 -2.85 -2.54 -3.4891 -0.9995 3092589 BCB02_000102 CCOC(=O)C1=CC[C@H](N([C@H]1/C=C/c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G07 compound treatment 5.1078 0.669 0.63 4.7159 -0.176 -0.16 0.3366 0.5163 3000864 BCB02_000103 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G08 compound treatment 4.2278 -0.211 -0.2 4.2701 -0.622 -0.55 -0.5337 -0.9051 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G09 compound treatment 5.1409 0.702 0.66 5.0421 0.15 0.13 0.5646 0.8332 3092591 BCB02_000105 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G10 compound treatment 2.7837 -1.66 -1.57 3.3479 -1.54 -1.38 -2.082 -0.9979 3000865 BCB02_000106 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2I)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G11 compound treatment 4.5669 0.128 0.12 5.8316 0.94 0.84 0.6785 0.8007 3092592 BCB02_000107 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccn5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G12 compound treatment 3.5391 -0.9 -0.85 3.329 -1.56 -1.39 -1.5883 -0.9721 3000866 BCB02_000108 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G13 compound treatment 4.1796 -0.26 -0.25 4.5749 -0.317 -0.28 -0.3736 -0.9976 3092593 BCB02_000109 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G14 compound treatment 1.9995 -2.44 -2.31 1.9899 -2.9 -2.59 -3.4637 -0.9984 3000867 BCB02_000110 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G15 compound treatment 4.7823 0.343 0.32 4.5918 -0.3 -0.27 0.0404 0.0961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G16 compound treatment 3.8457 -0.594 -0.56 4.1023 -0.789 -0.7 -0.8953 -0.9937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G17 mock treatment 4.5128 0.0736 0.07 5.0163 0.125 0.11 0.1279 0.9747 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G18 mock treatment 5.161 0.722 0.68 4.5661 -0.326 -0.29 0.2777 0.3741 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G19 mock treatment 5.0182 0.579 0.55 5.2436 0.352 0.31 0.6096 0.9651 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G20 mock treatment 4.109 -0.33 -0.31 5.7073 0.816 0.73 0.2936 0.3706 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G21 mock treatment 5.0423 0.603 0.57 5.4016 0.51 0.45 0.7254 0.9937 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G22 mock treatment 5.3021 0.863 0.82 5.3764 0.485 0.43 0.8833 0.9558 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G23 mock treatment 5.1392 0.7 0.66 5.1585 0.267 0.24 0.6369 0.9045 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 G24 mock treatment 4.3456 -0.0937 -0.09 5.5537 0.662 0.59 0.355 0.5943 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H01 compound treatment 4.5619 0.123 0.12 5.259 0.367 0.33 0.3139 0.9026 3000868 BCB02_000113 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)/C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H02 compound treatment 3.0998 -1.34 -1.27 3.3144 -1.58 -1.41 -1.8916 -0.9986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H03 compound treatment 5.0598 0.621 0.59 5.7503 0.859 0.77 0.957 0.9914 3092597 BCB02_000115 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H04 compound treatment 2.9919 -1.45 -1.37 3.523 -1.37 -1.22 -1.8322 -0.9984 3000869 BCB02_000116 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccccc2F)S(=O)(=O)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H05 compound treatment 5.0803 0.641 0.61 4.8848 -0.00681 -0.01 0.4248 0.7 3092598 BCB02_000117 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H06 compound treatment 2.9934 -1.45 -1.37 3.6603 -1.23 -1.1 -1.7446 -0.9941 3000870 BCB02_000118 CCOC(=O)C1=C[C@@H](CC)N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H07 compound treatment 6.9092 2.47 2.34 5.4812 0.59 0.53 2.0252 0.8451 3000871 BCB02_000119 O=c1cccc(o1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H08 compound treatment 4.3613 -0.0779 -0.07 4.7243 -0.167 -0.15 -0.1577 -0.9471 3092599 BCB02_000120 CCOC(=O)C1=CCN(C1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H09 compound treatment 7.556 3.12 2.95 9.8548 4.96 4.43 5.2174 0.9805 3000872 BCB02_000121 COc1cccc(c1)c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H10 compound treatment 3.386 -1.05 -1.0 3.5398 -1.35 -1.21 -1.5578 -0.9955 3092600 BCB02_000122 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)OCC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H11 compound treatment 8.6036 4.16 3.94 8.8728 3.98 3.55 5.2991 0.9986 1984103 BCB02_000123 Cc1ccc(cc1)c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H12 compound treatment 3.0704 -1.37 -1.3 3.7082 -1.18 -1.06 -1.6628 -0.9948 3092601 BCB02_000124 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H13 compound treatment 6.1578 1.72 1.63 6.2738 1.38 1.23 2.0223 0.9907 3000873 BCB02_000125 Clc1cccc(c1)c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H14 compound treatment 3.9182 -0.521 -0.49 5.1499 0.258 0.23 -0.1858 -0.3413 3000874 BCB02_000126 Cc1ccc(cc1)[C@@H]2N(CC=C2C(=O)O)S(=O)(=O)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H15 compound treatment 5.0052 0.566 0.54 6.1427 1.25 1.12 1.1681 0.9435 3000875 BCB02_000127 Clc1ccccc1c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H16 compound treatment 4.2548 -0.184 -0.17 4.6396 -0.252 -0.22 -0.2825 -0.9922 3092602 BCB02_000128 C[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H17 mock treatment 4.6667 0.227 0.22 5.1518 0.26 0.23 0.3164 0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H18 mock treatment 5.0834 0.644 0.61 5.5131 0.621 0.55 0.8233 0.9989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H19 mock treatment 4.5445 0.105 0.1 4.6784 -0.213 -0.19 -0.064 -0.2982 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H20 mock treatment 4.3783 -0.0609 -0.06 4.6683 -0.223 -0.2 -0.1817 -0.8759 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H21 mock treatment 4.1153 -0.324 -0.31 5.6554 0.764 0.68 0.265 0.3546 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H22 mock treatment 5.3408 0.902 0.85 5.3198 0.428 0.38 0.8736 0.9343 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H23 mock treatment 4.7638 0.325 0.31 5.6278 0.736 0.66 0.6817 0.9401 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 H24 mock treatment 4.7896 0.35 0.33 4.8491 -0.0425 -0.04 0.2077 0.6221 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I01 compound treatment 4.8786 0.439 0.42 5.519 0.627 0.56 0.6899 0.9893 3092603 BCB02_000129 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I02 compound treatment 4.1108 -0.328 -0.31 4.4365 -0.455 -0.41 -0.507 -0.9913 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I03 compound treatment 4.0073 -0.432 -0.41 5.5349 0.643 0.57 0.1168 0.1657 3000948 BCB02_000131 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I04 compound treatment 3.1916 -1.25 -1.18 3.4567 -1.43 -1.28 -1.7404 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I05 compound treatment 5.3043 0.865 0.82 5.33 0.438 0.39 0.8556 0.9428 3000950 BCB02_000133 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I06 compound treatment 1.0345 -3.4 -3.22 1.4759 -3.42 -3.05 -4.4339 -0.9996 3000951 BCB02_000134 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I07 compound treatment 4.3604 -0.0789 -0.07 5.7919 0.9 0.8 0.5151 0.6386 3092604 BCB02_000135 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I08 compound treatment 3.2398 -1.2 -1.14 4.4965 -0.395 -0.35 -1.0521 -0.885 3000952 BCB02_000136 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I09 compound treatment 3.0144 -1.42 -1.35 3.3818 -1.51 -1.35 -1.9062 -1.0 3092605 BCB02_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I10 compound treatment 2.4952 -1.94 -1.84 2.6683 -2.22 -1.98 -2.7039 -0.9993 3092606 BCB02_000138 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(F)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I11 compound treatment 5.8598 1.42 1.34 5.0788 0.187 0.17 1.0689 0.7888 3000953 BCB02_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I12 compound treatment 2.8639 -1.58 -1.49 2.7593 -2.13 -1.9 -2.3997 -0.9927 3092607 BCB02_000140 CCOC(=O)[C@@H]1N([C@@H](CC=C1C(=O)OCC)c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I13 compound treatment 4.3869 -0.0523 -0.05 5.1446 0.253 0.23 0.1246 0.5392 3092678 BCB02_000141 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I14 compound treatment 4.8007 0.361 0.34 4.6031 -0.289 -0.26 0.0599 0.1399 3000954 BCB02_000142 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I15 compound treatment 5.5209 1.08 1.02 4.7954 -0.0963 -0.09 0.6632 0.6455 3092679 BCB02_000143 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I16 compound treatment 2.6431 -1.8 -1.7 2.3545 -2.54 -2.26 -2.8029 -0.99 3000955 BCB02_000144 CCOC(=O)C1=CC[C@H](N([C@H]1C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I17 mock treatment 4.8034 0.364 0.34 5.1052 0.214 0.19 0.3785 0.9609 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I18 mock treatment 4.7346 0.295 0.28 5.1937 0.302 0.27 0.3883 0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I19 mock treatment 4.9596 0.52 0.49 5.065 0.173 0.15 0.4577 0.8864 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I20 mock treatment 5.1718 0.733 0.69 5.4929 0.601 0.54 0.8696 0.992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I21 mock treatment 5.6206 1.18 1.12 4.8943 0.00261 0.0 0.7924 0.7086 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I22 mock treatment 4.7511 0.312 0.3 4.7098 -0.182 -0.16 0.094 0.2791 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I23 mock treatment 4.6678 0.229 0.22 5.187 0.295 0.26 0.3393 0.9952 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 I24 mock treatment 4.4559 0.0166 0.02 5.4531 0.561 0.5 0.3654 0.729 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J01 compound treatment 4.367 -0.0723 -0.07 5.4007 0.509 0.45 0.2728 0.5939 3000956 BCB02_000145 CCCc1cccc(=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J02 compound treatment 4.7955 0.356 0.34 4.2867 -0.605 -0.54 -0.1432 -0.225 3092680 BCB02_000146 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J03 compound treatment 5.1315 0.692 0.66 5.5119 0.62 0.55 0.8546 0.9965 3000957 BCB02_000147 Fc1ccc(cc1)c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J04 compound treatment 3.514 -0.925 -0.88 4.152 -0.74 -0.66 -1.0859 -0.9903 3092681 BCB02_000148 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J05 compound treatment 4.7911 0.352 0.33 5.411 0.519 0.46 0.5632 0.9869 3000958 BCB02_000149 O=c1cccc(o1)c2ccc(C#N)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J06 compound treatment 2.85 -1.59 -1.5 4.0912 -0.8 -0.71 -1.5687 -0.942 3000959 BCB02_000150 CC(C)[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J07 compound treatment 7.1621 2.72 2.58 7.1877 2.3 2.05 3.2711 0.9935 3092682 BCB02_000151 FC(F)(F)c1ccc(cc1)c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J08 compound treatment 3.0422 -1.4 -1.32 3.1337 -1.76 -1.57 -2.0442 -0.9964 3092683 BCB02_000152 Cc1ccc(cc1)[C@@H]2N([C@@H](C=C2C(=O)O)C(C)(C)C)S(=O)(=O)c3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J09 compound treatment 4.7503 0.311 0.29 5.1392 0.248 0.22 0.3644 0.99 3000960 BCB02_000153 FC(F)(F)c1ccccc1c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J10 compound treatment 3.4889 -0.95 -0.9 3.9333 -0.958 -0.86 -1.2407 -0.9997 3092684 BCB02_000154 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J11 compound treatment 11.1925 6.75 6.39 9.4915 4.6 4.1 7.4222 0.977 3000961 BCB02_000155 O=c1cccc(o1)c2ccc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J12 compound treatment 4.9155 0.476 0.45 4.8325 -0.0591 -0.05 0.2815 0.6201 3000962 BCB02_000156 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J13 compound treatment 5.1316 0.692 0.66 5.0407 0.149 0.13 0.5574 0.8336 3092685 BCB02_000157 O=c1cccc(o1)c2ccco2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J14 compound treatment 5.3199 0.881 0.83 4.3801 -0.512 -0.46 0.2667 0.2806 3092686 BCB02_000158 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J15 compound treatment 5.5624 1.12 1.06 5.5558 0.664 0.59 1.1708 0.9619 3000963 BCB02_000159 O=c1cccc(CCc2ccccc2)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J16 compound treatment 2.9118 -1.53 -1.45 4.0826 -0.809 -0.72 -1.5328 -0.9485 3092687 BCB02_000160 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J17 mock treatment 4.8414 0.402 0.38 5.5609 0.669 0.6 0.6914 0.9764 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J18 mock treatment 5.1523 0.713 0.67 5.4112 0.52 0.46 0.8051 0.9832 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J19 mock treatment 5.0322 0.593 0.56 5.4941 0.602 0.54 0.777 0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J20 mock treatment 5.1739 0.735 0.7 5.1063 0.215 0.19 0.6271 0.8695 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J21 mock treatment 5.0765 0.637 0.6 5.4248 0.533 0.48 0.7629 0.9931 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J22 mock treatment 4.5733 0.134 0.13 6.4856 1.59 1.42 1.0953 0.7671 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J23 mock treatment 5.1388 0.7 0.66 5.1361 0.244 0.22 0.6225 0.8928 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 J24 mock treatment 3.3112 -1.13 -1.07 4.5198 -0.372 -0.33 -0.9896 -0.8851 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K01 compound treatment 5.1711 0.732 0.69 4.7056 -0.186 -0.17 0.3725 0.5229 3000964 BCB02_000161 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K02 compound treatment 3.4017 -1.04 -0.98 3.7527 -1.14 -1.02 -1.413 -0.9999 3092688 BCB02_000162 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccncc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K03 compound treatment 3.3778 -1.06 -1.0 3.919 -0.973 -0.87 -1.3241 -0.9973 3092689 BCB02_000163 CC(C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K04 compound treatment 2.3892 -2.05 -1.94 3.278 -1.61 -1.44 -2.3902 -0.9892 3000965 BCB02_000164 CCOC(=O)C1=CC[C@H](N([C@H]1C=C(C)C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K05 compound treatment 4.1763 -0.263 -0.25 5.6406 0.749 0.67 0.2965 0.4158 3092690 BCB02_000165 CC(CC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K06 compound treatment 5.7252 1.29 1.22 5.168 0.276 0.25 1.0351 0.8334 3000966 BCB02_000166 CCOC(=O)C1=CC[C@H](N([C@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K07 compound treatment 4.6002 0.161 0.15 6.3807 1.49 1.33 1.0472 0.7831 3092691 BCB02_000167 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K08 compound treatment 2.4285 -2.01 -1.9 2.9571 -1.93 -1.73 -2.5664 -0.9988 3092692 BCB02_000168 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K09 compound treatment 5.4475 1.01 0.95 5.7119 0.82 0.73 1.1924 0.9914 3000967 BCB02_000169 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K10 compound treatment 5.39 0.951 0.9 5.2338 0.342 0.31 0.8522 0.8968 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K11 compound treatment 5.3747 0.935 0.89 4.6889 -0.203 -0.18 0.4982 0.5513 3000968 BCB02_000171 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K12 compound treatment 4.2601 -0.179 -0.17 4.5041 -0.388 -0.35 -0.3645 -0.9462 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K13 compound treatment 4.2993 -0.14 -0.13 4.4331 -0.459 -0.41 -0.383 -0.8905 3092695 BCB02_000173 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K14 compound treatment 2.1367 -2.3 -2.18 2.4031 -2.49 -2.22 -3.1112 -1.0 3000969 BCB02_000174 CCOC(=O)C1=CC[C@H](N([C@H]1C=C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K15 compound treatment 3.2639 -1.18 -1.11 4.4269 -0.465 -0.41 -1.0799 -0.9095 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K16 compound treatment 4.1305 -0.309 -0.29 4.9626 0.071 0.06 -0.1619 -0.5413 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K17 mock treatment 3.7509 -0.688 -0.65 5.3867 0.495 0.44 -0.1484 -0.1885 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K18 mock treatment 5.072 0.633 0.6 5.7828 0.891 0.8 0.9857 0.9902 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K19 mock treatment 4.8086 0.369 0.35 5.3625 0.471 0.42 0.5443 0.9958 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K20 mock treatment 4.2693 -0.17 -0.16 5.3736 0.482 0.43 0.1903 0.4146 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K21 mock treatment 4.3666 -0.0727 -0.07 4.9451 0.0535 0.05 -0.0149 -0.1782 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K22 mock treatment 4.6884 0.249 0.24 5.2154 0.324 0.29 0.371 0.9949 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K23 mock treatment 4.7342 0.295 0.28 6.7062 1.81 1.62 1.3422 0.817 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 K24 mock treatment 3.9648 -0.474 -0.45 5.1268 0.235 0.21 -0.1692 -0.3414 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L01 compound treatment 4.4106 -0.0287 -0.03 4.9175 0.0258 0.02 -0.0029 -0.0811 3000971 BCB02_000177 [O-][N+](=O)c1ccc(cc1)c2cccc(=O)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L02 compound treatment 2.8666 -1.57 -1.49 3.0468 -1.84 -1.65 -2.2165 -0.9987 3092697 BCB02_000178 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L03 compound treatment 4.3864 -0.0528 -0.05 5.3322 0.441 0.39 0.2425 0.6122 3000972 BCB02_000179 O=c1cccc(/C=C/c2ccccc2)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L04 compound treatment 4.4455 0.00624 0.01 4.9838 0.0921 0.08 0.0623 0.7559 3092698 BCB02_000180 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccco3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L05 compound treatment 7.4 2.96 2.8 7.5032 2.61 2.33 3.6294 0.9958 3000973 BCB02_000181 O=c1cccc(o1)c2cccc3ccccc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L06 compound treatment 1.9753 -2.46 -2.33 2.0969 -2.79 -2.49 -3.4124 -0.9994 3092699 BCB02_000182 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L07 compound treatment 4.0159 -0.423 -0.4 4.4189 -0.473 -0.42 -0.5816 -0.9997 3000974 BCB02_000183 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L08 compound treatment 3.6824 -0.757 -0.72 3.8308 -1.06 -0.95 -1.1758 -0.9906 3092700 BCB02_000184 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(Br)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L09 compound treatment 3.0769 -1.36 -1.29 2.8911 -2.0 -1.78 -2.174 -0.9873 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L10 compound treatment 3.0606 -1.38 -1.31 2.6703 -2.22 -1.98 -2.3242 -0.9794 3000975 BCB02_000186 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)C(C)C)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L11 compound treatment 4.9336 0.494 0.47 5.6428 0.751 0.67 0.8048 0.9846 3092771 BCB02_000187 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccn2)c3ccccn3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L12 compound treatment 3.2398 -1.2 -1.14 3.2438 -1.65 -1.47 -1.8425 -0.9918 3000976 BCB02_000188 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](C=C([C@@H]2c3ccccc3)C(=O)O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L13 compound treatment 5.3984 0.959 0.91 5.3741 0.482 0.43 0.9464 0.9418 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L14 compound treatment 2.623 -1.82 -1.72 2.7269 -2.16 -1.93 -2.5814 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L15 compound treatment 4.2344 -0.205 -0.19 5.1897 0.298 0.27 0.0509 0.1547 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L16 compound treatment 1.4245 -3.01 -2.85 2.296 -2.6 -2.32 -3.6555 -0.9946 3092774 BCB02_000192 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L17 mock treatment 4.75 0.311 0.29 5.5588 0.667 0.6 0.6289 0.9472 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L18 mock treatment 4.5246 0.0853 0.08 5.4773 0.586 0.52 0.4266 0.8068 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L19 mock treatment 4.5363 0.0971 0.09 5.0546 0.163 0.15 0.1678 0.9755 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L20 mock treatment 4.596 0.157 0.15 6.5105 1.62 1.44 1.1262 0.7757 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L21 mock treatment 5.5145 1.08 1.02 4.8986 0.00698 0.01 0.7241 0.7114 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L22 mock treatment 4.5207 0.0814 0.08 5.2109 0.319 0.28 0.2559 0.8672 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L23 mock treatment 4.6162 0.177 0.17 5.7401 0.848 0.76 0.6537 0.8432 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 L24 mock treatment 3.6069 -0.832 -0.79 3.75 -1.14 -1.02 -1.2774 -0.9919 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M01 compound treatment 1.9519 -2.49 -2.35 1.7479 -3.14 -2.8 -3.6482 -0.9962 3000978 BCB02_000193 CC1(C)[C@H]2C[C@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M02 compound treatment 4.6152 0.176 0.17 4.9286 0.0369 0.03 0.1411 0.8309 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M03 compound treatment 4.3387 -0.101 -0.1 4.6657 -0.226 -0.2 -0.2098 -0.9413 3092775 BCB02_000195 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M04 compound treatment 2.8198 -1.62 -1.53 3.4073 -1.48 -1.32 -2.0204 -0.9973 3001048 BCB02_000196 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M05 compound treatment 4.3307 -0.109 -0.1 4.899 0.00731 0.01 -0.068 -0.6609 3092776 BCB02_000197 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)[N+](=O)[O-])C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M06 compound treatment 2.6479 -1.79 -1.7 2.8835 -2.01 -1.79 -2.4659 -0.9996 3001049 BCB02_000198 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M07 compound treatment 5.7145 1.28 1.21 5.9881 1.1 0.98 1.5453 0.9946 3092777 BCB02_000199 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M08 compound treatment 2.0405 -2.4 -2.27 2.4333 -2.46 -2.19 -3.1565 -0.9999 3092778 BCB02_000200 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(CC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M09 compound treatment 4.7106 0.271 0.26 5.576 0.684 0.61 0.6134 0.926 3001050 BCB02_000201 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M10 compound treatment 2.687 -1.75 -1.66 2.7132 -2.18 -1.94 -2.5472 -0.9969 3001168 BCB02_000202 CCOC(=O)C1=C(N([C@@H](CC1)c2ccccc2)S(=O)(=O)CC[Si](C)(C)C)C(=O)OCC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M11 compound treatment 5.3435 0.904 0.86 5.5539 0.662 0.59 1.0231 0.9836 3092779 BCB02_000203 COc1ccc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M12 compound treatment 2.8245 -1.61 -1.53 3.9263 -0.965 -0.86 -1.6899 -0.9632 3092780 BCB02_000204 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4cc(Cl)ccc4Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M13 compound treatment 3.8651 -0.574 -0.54 5.582 0.69 0.62 0.0512 0.0624 3001169 BCB02_000205 COc1ccc(NN2C3C(C=CC2C(O)C4=CC[C@H](CC4)C(=C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M14 compound treatment 3.3178 -1.12 -1.06 4.6918 -0.2 -0.18 -0.8767 -0.8144 3092781 BCB02_000206 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M15 compound treatment 4.8936 0.454 0.43 5.3471 0.455 0.41 0.5915 0.9996 3001170 BCB02_000207 COc1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M16 mock treatment 4.6588 0.22 0.21 5.0662 0.175 0.16 0.2571 0.9899 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M17 mock treatment 5.2934 0.854 0.81 5.119 0.227 0.2 0.7152 0.8579 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M18 mock treatment 5.9708 1.53 1.45 5.2028 0.311 0.28 1.2214 0.8275 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M19 mock treatment 4.6552 0.216 0.2 5.4693 0.578 0.52 0.509 0.918 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M20 mock treatment 4.5477 0.108 0.1 4.5708 -0.321 -0.29 -0.1298 -0.4268 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M21 mock treatment 5.4759 1.04 0.98 5.0748 0.183 0.16 0.8094 0.8137 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M22 mock treatment 3.8208 -0.618 -0.59 5.2805 0.389 0.35 -0.1686 -0.2478 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M23 mock treatment 5.0574 0.618 0.59 5.6064 0.715 0.64 0.8647 0.9991 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 M24 mock treatment 4.7907 0.351 0.33 4.9195 0.0278 0.02 0.2528 0.7578 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N01 compound treatment 4.9754 0.536 0.51 4.8563 -0.0354 -0.03 0.3366 0.6619 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N02 compound treatment 1.6162 -2.82 -2.67 1.3916 -3.5 -3.12 -4.0977 -0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N03 compound treatment 4.4514 0.0122 0.01 3.6457 -1.25 -1.11 -0.7779 -0.6997 3001171 BCB02_000210 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N04 compound treatment 2.1447 -2.29 -2.17 2.3274 -2.56 -2.29 -3.1536 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N05 compound treatment 3.666 -0.773 -0.73 4.3994 -0.492 -0.44 -0.8281 -0.9702 3001172 BCB02_000212 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N06 compound treatment 4.1361 -0.303 -0.29 4.23 -0.662 -0.59 -0.6204 -0.9451 3092785 BCB02_000213 CCOC1=C2C(N(CC2C3C(C1)C(=O)N(C3=O)c4ccccc4)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N07 compound treatment 4.8492 0.41 0.39 4.3171 -0.575 -0.51 -0.0881 -0.137 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N08 compound treatment 1.4975 -2.94 -2.78 1.7888 -3.1 -2.77 -3.9266 -1.0 3001173 BCB02_000215 CCOC1=C2C(N(CC2n3n(C1)c(=O)n(c4ccccc4)c3=O)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N09 compound treatment 4.44 7.62E-4 0.0 4.5316 -0.36 -0.32 -0.2266 -0.7055 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N10 compound treatment 4.0526 -0.387 -0.37 5.3074 0.416 0.37 0.0035 0.0067 3001174 BCB02_000217 Cc1ccc(cc1)C2C3C(CN2S(=O)(=O)c4ccc(C)cc4)C5C(CC3=O)C(=O)N(C5=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N11 compound treatment 4.4807 0.0415 0.04 4.8618 -0.0298 -0.03 0.009 0.1895 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N12 compound treatment 3.556 -0.883 -0.84 4.5422 -0.349 -0.31 -0.8117 -0.9096 3092789 BCB02_000219 CCN1C(=O)C2CC(=O)C3C(N(CC3C2C1=O)S(=O)(=O)c4ccc(C)cc4)c5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N13 compound treatment 3.0698 -1.37 -1.3 3.4438 -1.45 -1.29 -1.8301 -1.0 3001175 BCB02_000220 CON(C)C(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N14 compound treatment 4.2974 -0.142 -0.13 4.5366 -0.355 -0.32 -0.3189 -0.927 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N15 compound treatment 5.2243 0.785 0.74 5.1981 0.306 0.27 0.7188 0.9078 3001176 BCB02_000222 CC(C)OC(=O)CC(=O)CC(O)c1ccc(cc1)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N16 mock treatment 4.7812 0.342 0.32 5.0396 0.148 0.13 0.3222 0.9218 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N17 mock treatment 5.1282 0.689 0.65 5.3126 0.421 0.38 0.7267 0.9656 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N18 mock treatment 4.1055 -0.334 -0.32 5.5678 0.676 0.6 0.2032 0.2983 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N19 mock treatment 4.3006 -0.139 -0.13 6.8319 1.94 1.73 1.1313 0.6516 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N20 mock treatment 4.2621 -0.177 -0.17 5.5607 0.669 0.6 0.3035 0.4896 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N21 mock treatment 5.2892 0.85 0.8 6.3668 1.48 1.32 1.4996 0.9721 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N22 mock treatment 5.0327 0.594 0.56 6.58 1.69 1.51 1.4624 0.9096 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N23 mock treatment 5.7695 1.33 1.26 5.1276 0.236 0.21 1.0393 0.814 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 N24 mock treatment 3.757 -0.682 -0.65 4.3521 -0.54 -0.48 -0.7971 -0.9895 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O01 compound treatment 3.6179 -0.821 -0.78 3.3074 -1.58 -1.41 -1.5492 -0.9604 3092791 BCB02_000223 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O02 compound treatment 2.6997 -1.74 -1.65 2.8261 -2.07 -1.84 -2.4675 -0.9984 3001177 BCB02_000224 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccco3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O03 compound treatment 4.5506 0.111 0.11 4.8525 -0.0392 -0.03 0.0498 0.4485 3092792 BCB02_000225 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)c(OCc5ccccc5)c4)C(=O)N(C6CCCCC6)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O04 compound treatment 4.1516 -0.288 -0.27 3.8923 -0.999 -0.89 -0.823 -0.8828 3001178 BCB02_000226 CCOC(=O)C1=CC[C@H](N([C@@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O05 compound treatment 6.4597 2.02 1.91 7.8322 2.94 2.62 3.2076 0.9879 3092860 BCB02_000227 COc1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O06 compound treatment 1.6612 -2.78 -2.63 1.9123 -2.98 -2.66 -3.7391 -1.0 3001179 BCB02_000228 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)CC[Si](C)(C)C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O07 compound treatment 6.1028 1.66 1.57 5.965 1.07 0.96 1.7906 0.9716 3092861 BCB02_000229 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O08 compound treatment 2.3792 -2.06 -1.95 2.3367 -2.55 -2.28 -2.9908 -0.997 3001245 BCB02_000230 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccn3C(=O)OC(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O09 compound treatment 3.9362 -0.503 -0.48 4.3471 -0.545 -0.49 -0.6802 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O10 compound treatment 1.7121 -2.73 -2.58 1.682 -3.21 -2.86 -3.8503 -0.9987 3001246 BCB02_000232 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O11 compound treatment 4.9626 0.523 0.5 4.4475 -0.444 -0.4 0.0701 0.1105 3092863 BCB02_000233 Cc1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C5CCCCC5)C3=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O12 compound treatment 7.5688 3.13 2.96 8.185 3.29 2.94 4.1724 1.0 3001247 BCB02_000234 CCOC(=O)C1=CCC(NC1)c2cc3ccccc3[nH]2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O13 compound treatment 3.1664 -1.27 -1.2 2.8573 -2.03 -1.82 -2.1354 -0.9802 3092864 BCB02_000235 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O14 compound treatment 2.2492 -2.19 -2.07 2.4992 -2.39 -2.13 -2.9752 -0.9999 3001248 BCB02_000236 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccccc2[N+](=O)[O-])c3cc4ccccc4[nH]3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O15 compound treatment 3.8396 -0.6 -0.57 4.6463 -0.245 -0.22 -0.5561 -0.9141 3092865 BCB02_000237 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O16 mock treatment 3.8802 -0.559 -0.53 4.0345 -0.857 -0.76 -0.9149 -0.9838 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O17 mock treatment 3.7478 -0.691 -0.65 3.7027 -1.19 -1.06 -1.2129 -0.9731 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O18 mock treatment 4.7997 0.36 0.34 3.8937 -0.998 -0.89 -0.3883 -0.4072 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O19 mock treatment 3.8061 -0.633 -0.6 4.4265 -0.465 -0.42 -0.7172 -0.9839 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O20 mock treatment 4.3961 -0.0431 -0.04 4.2136 -0.678 -0.6 -0.4566 -0.7531 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O21 mock treatment 3.6809 -0.758 -0.72 3.8215 -1.07 -0.95 -1.1827 -0.9901 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O22 mock treatment 4.3903 -0.049 -0.05 4.2142 -0.677 -0.6 -0.4602 -0.7591 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O23 mock treatment 4.0699 -0.369 -0.35 4.324 -0.568 -0.51 -0.6053 -0.9836 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 O24 mock treatment 4.1367 -0.303 -0.29 3.5122 -1.38 -1.23 -1.0728 -0.849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P01 compound treatment 3.5394 -0.9 -0.85 4.2534 -0.638 -0.57 -1.005 -0.9808 3001249 BCB02_000238 CC(C)OC(=O)CC(=O)CC(O)c1cccc(c1)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P02 compound treatment 4.0021 -0.437 -0.41 3.7094 -1.18 -1.05 -1.0384 -0.9165 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P03 compound treatment 4.5125 0.0733 0.07 4.2965 -0.595 -0.53 -0.3264 -0.6095 3001250 BCB02_000240 CC(C)OC(=O)CC(=O)CC(O)c1cccc(C#N)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P04 compound treatment 1.8627 -2.58 -2.44 2.1302 -2.76 -2.46 -3.4667 -1.0 3092867 BCB02_000241 CCOC(=O)C1=CC[C@H](N([C@H]1CC)S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P05 compound treatment 3.738 -0.701 -0.66 4.5081 -0.384 -0.34 -0.7114 -0.9525 3001251 BCB02_000242 CC(C)OC(=O)CC(=O)CC(O)c1ccc(C#N)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P06 compound treatment 2.1532 -2.29 -2.16 2.557 -2.33 -2.08 -3.0031 -0.9998 3092868 BCB02_000243 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P07 compound treatment 3.8469 -0.592 -0.56 4.0283 -0.863 -0.77 -0.9412 -0.9878 3001252 BCB02_000244 COC(=O)C1=CCC(CC1)(C=C)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P08 compound treatment 2.4101 -2.03 -1.92 2.6699 -2.22 -1.98 -2.7599 -0.9999 3092869 BCB02_000245 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P09 compound treatment 1.3841 -3.06 -2.89 1.4713 -3.42 -3.05 -4.2028 -0.9996 3001253 BCB02_000246 COC(=O)/C=C(/CC(O)c1cccc(Cl)c1)\OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P10 compound treatment 1.7166 -2.72 -2.58 2.0935 -2.8 -2.5 -3.5877 -0.9999 3092870 BCB02_000247 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P11 compound treatment 1.0441 -3.4 -3.21 1.3006 -3.59 -3.2 -4.5381 -1.0 3001254 BCB02_000248 OC(C/C(=C/C(=O)OCCF)/OCCF)c1cccc(Cl)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P12 compound treatment 1.55 -2.89 -2.73 1.5656 -3.33 -2.97 -4.0323 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P13 compound treatment 1.7688 -2.67 -2.53 1.9403 -2.95 -2.63 -3.6494 -0.9998 3001255 BCB02_000250 CCO/C(=C\C(=O)OC)/CC(O)c1cccc(Cl)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P14 compound treatment 1.5933 -2.85 -2.69 1.7381 -3.15 -2.81 -3.8945 -0.9998 3092774 BCB02_000251 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P15 compound treatment 3.0507 -1.39 -1.31 3.7015 -1.19 -1.06 -1.6802 -0.9944 3092872 BCB02_000252 FCCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P16 mock treatment 3.8913 -0.548 -0.52 4.1406 -0.751 -0.67 -0.8406 -0.992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P17 mock treatment 4.2689 -0.17 -0.16 3.8596 -1.03 -0.92 -0.7651 -0.8185 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P18 mock treatment 3.5225 -0.917 -0.87 3.5467 -1.34 -1.2 -1.4621 -0.9873 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P19 mock treatment 3.6568 -0.782 -0.74 3.6596 -1.23 -1.1 -1.301 -0.9815 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P20 mock treatment 4.1976 -0.242 -0.23 4.1606 -0.731 -0.65 -0.6229 -0.9013 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P21 mock treatment 3.5722 -0.867 -0.82 3.7111 -1.18 -1.05 -1.3251 -0.9924 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P22 mock treatment 3.3237 -1.12 -1.06 4.1684 -0.723 -0.65 -1.203 -0.9721 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P23 mock treatment 3.3856 -1.05 -1.0 3.3328 -1.56 -1.39 -1.6887 -0.9867 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2088 P24 mock treatment 3.3638 -1.08 -1.02 3.4968 -1.39 -1.24 -1.5998 -0.995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A01 compound treatment 4.577 -0.124 -0.12 5.7489 0.764 0.68 0.3993 0.5771 3186889 PK04_093001 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A02 compound treatment 5.0085 0.308 0.29 4.4292 -0.555 -0.5 -0.1444 -0.2513 3067555 PK04_093002 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A03 compound treatment 6.7677 2.07 1.96 6.4132 1.43 1.27 2.2847 0.9784 3186890 PK04_093003 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A04 compound treatment 7.3866 2.69 2.54 7.0205 2.04 1.82 3.0821 0.9864 3186891 PK04_093004 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A05 compound treatment 4.2041 -0.497 -0.47 5.0014 0.0167 0.01 -0.3219 -0.6843 3067558 PK04_093005 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A06 compound treatment 4.1531 -0.548 -0.52 4.8216 -0.163 -0.15 -0.4694 -0.8718 3186892 PK04_093006 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A07 compound treatment 3.6226 -1.08 -1.02 2.9709 -2.01 -1.8 -1.9921 -0.9641 3067559 PK04_093007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A08 compound treatment 8.247 3.55 3.36 6.7436 1.76 1.57 3.4834 0.94 3186893 PK04_093008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A09 compound treatment 6.892 2.19 2.07 6.4232 1.44 1.28 2.3742 0.9734 3186894 PK04_093009 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A10 compound treatment 6.1089 1.41 1.33 6.3495 1.36 1.22 1.8036 0.999 3067560 PK04_093010 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A11 compound treatment 4.421 -0.28 -0.26 4.5149 -0.47 -0.42 -0.4836 -0.9755 3186895 PK04_093011 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A12 compound treatment 5.7155 1.01 0.96 5.8506 0.866 0.77 1.2255 0.9942 3186896 PK04_093012 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A13 mock treatment 6.64 1.94 1.84 5.8654 0.881 0.79 1.8537 0.9283 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A14 mock treatment 5.3144 0.614 0.58 4.9901 0.00544 0.0 0.4141 0.713 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A15 compound treatment 3.8792 -0.822 -0.78 3.7358 -1.25 -1.11 -1.3378 -0.9845 3067562 PK04_093013 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A16 compound treatment 3.6634 -1.04 -0.98 3.8166 -1.17 -1.04 -1.4312 -0.9996 3186897 PK04_093014 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A17 compound treatment 6.5293 1.83 1.73 7.7095 2.72 2.43 2.943 0.9861 3067564 PK04_093015 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A18 compound treatment 4.5603 -0.14 -0.13 4.2681 -0.717 -0.64 -0.5461 -0.8363 3186898 PK04_093016 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A19 compound treatment 4.7659 0.0651 0.06 4.3696 -0.615 -0.55 -0.3444 -0.6237 3186899 PK04_093017 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A20 compound treatment 4.5499 -0.151 -0.14 5.0811 0.0965 0.09 -0.0402 -0.2408 3067604 PK04_093018 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A21 compound treatment 4.9821 0.281 0.27 6.2329 1.25 1.11 0.9758 0.8522 3186900 PK04_093019 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A22 compound treatment 5.127 0.426 0.4 4.9944 0.00973 0.01 0.2914 0.7221 3067607 PK04_093020 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A23 compound treatment 5.6765 0.976 0.92 5.8493 0.865 0.77 1.1986 0.996 3186901 PK04_093021 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 A24 compound treatment 3.8104 -0.89 -0.84 3.4733 -1.51 -1.35 -1.5495 -0.9744 3186902 PK04_093022 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B01 compound treatment 6.8366 2.14 2.02 7.0822 2.1 1.87 2.7529 0.9993 3067612 PK04_093023 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B02 compound treatment 5.8986 1.2 1.13 6.9189 1.93 1.73 2.0221 0.9792 3186903 PK04_093024 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B03 compound treatment 3.4444 -1.26 -1.19 3.9863 -0.998 -0.89 -1.4707 -0.9899 3067614 PK04_093025 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B04 compound treatment 3.6907 -1.01 -0.96 4.2771 -0.708 -0.63 -1.1225 -0.9797 3186904 PK04_093026 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B05 compound treatment 5.7158 1.02 0.96 6.3562 1.37 1.22 1.5447 0.9928 3186905 PK04_093027 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B06 compound treatment 6.7413 2.04 1.93 6.6493 1.66 1.49 2.4161 0.9916 3068180 PK04_093028 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B07 compound treatment 8.9498 4.25 4.02 8.2443 3.26 2.91 4.9005 0.9873 3186906 PK04_093029 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B08 compound treatment 4.3112 -0.39 -0.37 4.2847 -0.7 -0.62 -0.7023 -0.9684 3186992 PK04_093030 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B09 compound treatment 7.482 2.78 2.63 7.1262 2.14 1.91 3.2127 0.9876 3068181 PK04_093031 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B10 compound treatment 3.2593 -1.44 -1.36 3.1795 -1.81 -1.61 -2.1037 -0.9966 3186993 PK04_093032 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B11 compound treatment 6.4192 1.72 1.63 6.1541 1.17 1.04 1.888 0.977 3068182 PK04_093033 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B12 compound treatment 4.2211 -0.48 -0.45 5.8508 0.866 0.77 0.2254 0.2515 3186994 PK04_093034 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B13 mock treatment 9.9331 5.23 4.95 9.6221 4.64 4.14 6.4279 0.996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B14 mock treatment 4.5403 -0.16 -0.15 4.9921 0.00745 0.01 -0.1027 -0.6755 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B15 compound treatment 9.2971 4.6 4.35 9.2627 4.28 3.82 5.7755 0.9979 3068183 PK04_093035 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B16 compound treatment 4.8405 0.14 0.13 3.9283 -1.06 -0.94 -0.5729 -0.602 3186995 PK04_093036 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B17 compound treatment 5.8843 1.18 1.12 6.0792 1.09 0.98 1.4828 0.9977 3186996 PK04_093037 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B18 compound treatment 5.2772 0.576 0.55 5.1887 0.204 0.18 0.5146 0.8945 3068184 PK04_093038 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B19 compound treatment 4.1228 -0.578 -0.55 5.8733 0.889 0.79 0.1738 0.1804 3186997 PK04_093039 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B20 compound treatment 5.8789 1.18 1.12 5.5721 0.587 0.52 1.1592 0.9407 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B21 compound treatment 6.2702 1.57 1.49 5.2601 0.276 0.25 1.2243 0.813 3068185 PK04_093041 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B22 compound treatment 4.9268 0.226 0.21 5.1133 0.129 0.11 0.2325 0.9574 3186999 PK04_093042 CN(C)C(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B23 compound treatment 4.7461 0.0453 0.04 5.2484 0.264 0.24 0.1968 0.8225 3068186 PK04_093043 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 B24 compound treatment 5.6648 0.964 0.91 5.7724 0.788 0.7 1.1423 0.9917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C01 compound treatment 3.8105 -0.89 -0.84 3.2981 -1.69 -1.5 -1.6599 -0.9625 3187001 PK04_093045 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C02 compound treatment 3.5162 -1.18 -1.12 3.4877 -1.5 -1.34 -1.7373 -0.9962 3068187 PK04_093046 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C03 compound treatment 6.9536 2.25 2.13 7.5871 2.6 2.32 3.1497 0.9991 3187002 PK04_093047 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C04 compound treatment 4.3066 -0.394 -0.37 4.7758 -0.209 -0.19 -0.3955 -0.9485 3068188 PK04_093048 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C05 compound treatment 6.229 1.53 1.45 5.1696 0.185 0.16 1.1395 0.7827 3187003 PK04_093049 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C06 compound treatment 4.4914 -0.209 -0.2 3.8085 -1.18 -1.05 -0.8821 -0.826 3187004 PK04_093050 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C07 compound treatment 8.4951 3.79 3.59 8.3393 3.35 2.99 4.6561 0.9959 3068189 PK04_093051 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C08 compound treatment 5.7294 1.03 0.97 5.4783 0.494 0.44 1.0 0.9357 3187005 PK04_093052 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C09 compound treatment 8.1275 3.43 3.24 8.5922 3.61 3.22 4.5696 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C10 compound treatment 3.9011 -0.8 -0.76 3.0598 -1.92 -1.72 -1.7496 -0.9322 3068190 PK04_093054 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C11 mock treatment 3.9841 -0.717 -0.68 4.5739 -0.411 -0.37 -0.7388 -0.9582 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C12 mock treatment 4.207 -0.494 -0.47 4.3549 -0.63 -0.56 -0.7278 -0.9958 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C13 compound treatment 7.8541 3.15 2.98 8.7869 3.8 3.39 4.5094 0.998 3187007 PK04_093055 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C14 compound treatment 2.4703 -2.23 -2.11 2.217 -2.77 -2.47 -3.239 -0.997 3068191 PK04_093056 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C15 mock treatment 4.4787 -0.222 -0.21 4.594 -0.391 -0.35 -0.3951 -0.9707 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C16 mock treatment 4.7728 0.072 0.07 4.593 -0.392 -0.35 -0.1989 -0.5587 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C17 compound treatment 3.6259 -1.07 -1.02 4.183 -0.802 -0.72 -1.2252 -0.9851 3187008 PK04_093057 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C18 compound treatment 5.445 0.744 0.7 5.249 0.264 0.24 0.6649 0.8951 3068193 PK04_093058 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C19 compound treatment 2.7246 -1.98 -1.87 3.4353 -1.55 -1.38 -2.3002 -0.9889 3187009 PK04_093059 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C20 compound treatment 4.3135 -0.387 -0.37 4.2361 -0.749 -0.67 -0.7314 -0.9601 3187010 PK04_093060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C21 compound treatment 3.8992 -0.802 -0.76 3.3505 -1.63 -1.46 -1.5675 -0.9537 3068197 PK04_093061 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C22 compound treatment 3.2446 -1.46 -1.38 3.5335 -1.45 -1.29 -1.8901 -0.9995 3187011 PK04_093062 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C23 compound treatment 4.4148 -0.286 -0.27 4.5911 -0.394 -0.35 -0.4397 -0.9918 3068199 PK04_093063 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 C24 compound treatment 3.325 -1.38 -1.3 3.1967 -1.79 -1.6 -2.0488 -0.9949 3187012 PK04_093064 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D01 compound treatment 8.5538 3.85 3.65 7.2358 2.25 2.01 3.9993 0.9605 3187091 PK04_093065 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D02 compound treatment 6.929 2.23 2.11 8.293 3.31 2.95 3.5786 0.9864 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D03 compound treatment 6.7673 2.07 1.96 6.247 1.26 1.13 2.1797 0.9656 3187092 PK04_093067 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D04 compound treatment 3.1069 -1.59 -1.51 3.1488 -1.84 -1.64 -2.225 -0.9992 3187093 PK04_093068 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D05 compound treatment 3.0081 -1.69 -1.6 3.0759 -1.91 -1.7 -2.3372 -0.9995 3068220 PK04_093069 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D06 compound treatment 3.9419 -0.759 -0.72 4.5936 -0.391 -0.35 -0.7547 -0.945 3187094 PK04_093070 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D07 compound treatment 5.1779 0.477 0.45 6.0162 1.03 0.92 0.9702 0.9463 3068223 PK04_093071 COC(=O)[C@H]1COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D08 compound treatment 3.7309 -0.97 -0.92 3.4828 -1.5 -1.34 -1.5967 -0.983 3187095 PK04_093072 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D09 compound treatment 3.0673 -1.63 -1.55 3.2806 -1.7 -1.52 -2.1685 -1.0 3068225 PK04_093073 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D10 compound treatment 6.1029 1.4 1.33 7.2949 2.31 2.06 2.396 0.9773 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D11 mock treatment 4.4051 -0.296 -0.28 4.3499 -0.635 -0.57 -0.5984 -0.9472 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D12 mock treatment 3.4753 -1.23 -1.16 4.0851 -0.899 -0.8 -1.3877 -0.9838 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D13 compound treatment 5.8744 1.17 1.11 8.6378 3.65 3.26 3.0903 0.8974 3187097 PK04_093075 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D14 compound treatment 4.4631 -0.238 -0.22 4.1122 -0.872 -0.78 -0.7095 -0.8756 3068228 PK04_093076 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D15 mock treatment 3.9209 -0.78 -0.74 4.7411 -0.244 -0.22 -0.6757 -0.878 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D16 mock treatment 4.2183 -0.482 -0.46 4.6999 -0.285 -0.25 -0.5026 -0.9617 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D17 compound treatment 4.2446 -0.456 -0.43 3.9032 -1.08 -0.96 -0.9876 -0.9343 3187098 PK04_093077 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D18 compound treatment 6.4459 1.75 1.65 5.1159 0.131 0.12 1.2509 0.7554 3187099 PK04_093078 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D19 compound treatment 8.25 3.55 3.36 7.29 2.31 2.06 3.8301 0.9723 3068229 PK04_093079 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D20 compound treatment 6.8741 2.17 2.06 5.8097 0.825 0.74 1.9753 0.904 3187100 PK04_093080 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D21 compound treatment 3.1683 -1.53 -1.45 2.4587 -2.53 -2.25 -2.6194 -0.9773 3068232 PK04_093081 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D22 compound treatment 3.8978 -0.803 -0.76 4.1023 -0.882 -0.79 -1.0941 -0.9998 3187101 PK04_093082 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D23 compound treatment 3.9817 -0.719 -0.68 3.2949 -1.69 -1.51 -1.5473 -0.9354 3187102 PK04_093083 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 D24 compound treatment 3.3013 -1.4 -1.32 3.8827 -1.1 -0.98 -1.6319 -0.9892 3068234 PK04_093084 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E01 mock treatment 6.0405 1.34 1.27 6.8133 1.83 1.63 2.0504 0.9922 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E02 mock treatment 4.5435 -0.157 -0.15 5.0391 0.0545 0.05 -0.0709 -0.4527 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E03 compound treatment 8.6506 3.95 3.74 7.3517 2.37 2.11 4.1371 0.9634 3187103 PK04_093085 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E04 compound treatment 3.0999 -1.6 -1.52 3.3539 -1.63 -1.45 -2.1003 -0.9998 3187104 PK04_093086 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E05 compound treatment 5.9148 1.21 1.15 5.0493 0.0647 0.06 0.8534 0.7417 3068237 PK04_093087 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E06 compound treatment 3.5905 -1.11 -1.05 4.3232 -0.661 -0.59 -1.1604 -0.9628 3187105 PK04_093088 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E07 compound treatment 2.7384 -1.96 -1.86 3.508 -1.48 -1.32 -2.2451 -0.9858 3068240 PK04_093089 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E08 compound treatment 1.8345 -2.87 -2.71 1.6716 -3.31 -2.96 -4.0087 -0.9991 3187106 PK04_093090 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E09 mock treatment 4.8878 0.187 0.18 4.2546 -0.73 -0.65 -0.3354 -0.4969 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E10 mock treatment 5.1018 0.401 0.38 4.5254 -0.459 -0.41 -0.0213 -0.0381 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E11 compound treatment 3.8774 -0.823 -0.78 4.4254 -0.559 -0.5 -0.9039 -0.9768 3068242 PK04_093091 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E12 compound treatment 3.426 -1.27 -1.21 3.6101 -1.37 -1.23 -1.7205 -1.0 3187107 PK04_093092 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E13 compound treatment 3.4169 -1.28 -1.22 2.6513 -2.33 -2.08 -2.3314 -0.9672 3068264 PK04_093093 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E14 compound treatment 3.3776 -1.32 -1.25 3.5654 -1.42 -1.27 -1.781 -1.0 3187108 PK04_093094 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E15 compound treatment 5.1599 0.459 0.43 6.3443 1.36 1.21 1.1651 0.9041 3187109 PK04_093095 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E16 compound treatment 4.7322 0.0314 0.03 5.2774 0.293 0.26 0.2057 0.7826 3068267 PK04_093096 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E17 mock treatment 4.4324 -0.268 -0.25 4.6765 -0.308 -0.27 -0.3741 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E18 mock treatment 4.5205 -0.18 -0.17 5.0889 0.104 0.09 -0.0548 -0.2822 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E19 compound treatment 5.738 1.04 0.98 5.1667 0.182 0.16 0.8091 0.813 3187110 PK04_093097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E20 compound treatment 4.7931 0.0923 0.09 5.0549 0.0703 0.06 0.1061 0.9868 3187111 PK04_093098 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E21 compound treatment 5.4845 0.784 0.74 4.5259 -0.459 -0.41 0.2352 0.2776 3068269 PK04_093099 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E22 compound treatment 3.6413 -1.06 -1.0 3.7418 -1.24 -1.11 -1.4932 -0.9987 3187184 PK04_093100 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E23 compound treatment 4.4186 -0.282 -0.27 4.6971 -0.288 -0.26 -0.3703 -0.9998 3068272 PK04_093101 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 E24 compound treatment 2.5792 -2.12 -2.01 2.8897 -2.09 -1.87 -2.7417 -0.9994 3187185 PK04_093102 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F01 mock treatment 4.7162 0.0154 0.01 5.136 0.151 0.14 0.1058 0.7788 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F02 mock treatment 6.0329 1.33 1.26 4.9317 -0.053 -0.05 0.8582 0.6801 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F03 compound treatment 6.9903 2.29 2.17 7.2533 2.27 2.02 2.9637 0.9994 3068274 PK04_093103 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F04 compound treatment 3.0195 -1.68 -1.59 3.2071 -1.78 -1.59 -2.2467 -1.0 3187186 PK04_093104 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F05 compound treatment 5.375 0.674 0.64 4.9583 -0.0263 -0.02 0.4347 0.6807 3068276 PK04_093105 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F06 compound treatment 4.8897 0.189 0.18 5.9291 0.944 0.84 0.7223 0.8385 3187187 PK04_093106 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F07 compound treatment 3.3171 -1.38 -1.31 3.3697 -1.61 -1.44 -1.945 -0.9989 3187188 PK04_093107 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F08 compound treatment 4.2785 -0.422 -0.4 5.9744 0.99 0.88 0.3418 0.3526 3068278 PK04_093108 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F09 mock treatment 3.7663 -0.935 -0.88 3.7152 -1.27 -1.13 -1.4264 -0.9925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F10 mock treatment 3.9225 -0.778 -0.74 5.1536 0.169 0.15 -0.4143 -0.551 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F11 compound treatment 2.2269 -2.47 -2.34 2.7616 -2.22 -1.98 -3.0584 -0.9966 3187189 PK04_093109 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F12 compound treatment 4.3327 -0.368 -0.35 4.4589 -0.526 -0.47 -0.578 -0.9893 3068280 PK04_093110 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F13 compound treatment 2.8814 -1.82 -1.72 3.0473 -1.94 -1.73 -2.4401 -1.0 3187190 PK04_093111 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F14 compound treatment 3.6224 -1.08 -1.02 4.0571 -0.928 -0.83 -1.3069 -0.9946 3187191 PK04_093112 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F15 compound treatment 3.272 -1.43 -1.35 3.3918 -1.59 -1.42 -1.9612 -0.9997 3068282 PK04_093113 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F16 compound treatment 2.9522 -1.75 -1.66 2.7877 -2.2 -1.96 -2.5564 -0.9965 3187192 PK04_093114 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F17 mock treatment 3.4402 -1.26 -1.19 4.7841 -0.201 -0.18 -0.9703 -0.8042 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F18 mock treatment 4.3211 -0.38 -0.36 5.437 0.452 0.4 0.0313 0.0579 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F19 compound treatment 3.5486 -1.15 -1.09 3.1424 -1.84 -1.64 -1.9334 -0.9802 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F20 compound treatment 6.0124 1.31 1.24 5.9246 0.94 0.84 1.4709 0.9818 3068312 PK04_093116 NC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F21 compound treatment 4.3479 -0.353 -0.33 3.872 -1.11 -0.99 -0.9381 -0.8957 3068314 PK04_093117 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F22 compound treatment 8.3485 3.65 3.45 9.4954 4.51 4.02 5.2874 0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F23 compound treatment 2.4493 -2.25 -2.13 2.8086 -2.18 -1.94 -2.8798 -0.9989 3187195 PK04_093119 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 F24 compound treatment 3.4915 -1.21 -1.14 3.4338 -1.55 -1.38 -1.7878 -0.9956 3068317 PK04_093120 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G01 compound treatment 9.9531 5.25 4.97 10.7659 5.78 5.16 7.163 0.9998 3187196 PK04_093121 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G02 compound treatment 2.8488 -1.85 -1.75 2.9763 -2.01 -1.79 -2.5066 -0.9999 3068319 PK04_093122 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G03 mock treatment 5.6034 0.903 0.85 6.1882 1.2 1.07 1.3634 0.9936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G04 mock treatment 4.8252 0.124 0.12 5.6659 0.681 0.61 0.5131 0.8287 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G05 compound treatment 5.4417 0.741 0.7 5.5216 0.537 0.48 0.8347 0.9827 3187197 PK04_093123 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G06 compound treatment 4.6626 -0.0382 -0.04 4.3448 -0.64 -0.57 -0.4292 -0.7503 3187198 PK04_093124 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G07 compound treatment 3.0149 -1.69 -1.6 3.0743 -1.91 -1.7 -2.3336 -0.9995 3068323 PK04_093125 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G08 compound treatment 4.6634 -0.0374 -0.04 4.4866 -0.498 -0.44 -0.3392 -0.761 3187199 PK04_093126 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G09 compound treatment 8.2946 3.59 3.4 7.9023 2.92 2.6 4.2462 0.9913 3068325 PK04_093127 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G10 compound treatment 3.7564 -0.944 -0.89 3.7619 -1.22 -1.09 -1.4035 -0.9951 3187200 PK04_093128 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G11 compound treatment 5.1452 0.444 0.42 4.164 -0.821 -0.73 -0.2202 -0.2608 3187201 PK04_093129 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G12 compound treatment 3.5834 -1.12 -1.06 4.2617 -0.723 -0.64 -1.204 -0.9719 3068327 PK04_093130 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G13 compound treatment 8.1241 3.42 3.24 7.0285 2.04 1.82 3.5808 0.963 3187202 PK04_093131 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G14 compound treatment 10.0567 5.36 5.07 8.6865 3.7 3.3 5.9204 0.9784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G15 compound treatment 6.3009 1.6 1.51 6.6237 1.64 1.46 2.1051 0.9998 3068330 PK04_093133 COC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G16 compound treatment 3.605 -1.1 -1.04 3.5072 -1.48 -1.32 -1.6655 -0.993 3068332 PK04_093134 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G17 compound treatment 3.4736 -1.23 -1.16 3.663 -1.32 -1.18 -1.6552 -1.0 3187278 PK04_093135 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G18 compound treatment 3.9909 -0.71 -0.67 3.6318 -1.35 -1.21 -1.3286 -0.9618 3187279 PK04_093136 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G19 mock treatment 4.9894 0.289 0.27 5.3199 0.335 0.3 0.4047 0.999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G20 mock treatment 4.701 2.53E-4 0.0 5.3619 0.377 0.34 0.2382 0.7076 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G21 compound treatment 5.6112 0.91 0.86 5.1179 0.133 0.12 0.6935 0.7971 3187280 PK04_093137 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G22 compound treatment 2.5114 -2.19 -2.07 2.9707 -2.01 -1.8 -2.736 -0.9975 3068361 PK04_093138 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G23 compound treatment 4.1049 -0.596 -0.56 3.899 -1.09 -0.97 -1.0838 -0.9669 3187281 PK04_093139 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 G24 compound treatment 3.1279 -1.57 -1.49 3.0489 -1.94 -1.73 -2.274 -0.9973 3187282 PK04_093140 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H01 compound treatment 2.6292 -2.07 -1.96 2.269 -2.72 -2.42 -3.0998 -0.9945 3068365 PK04_093141 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H02 compound treatment 3.1488 -1.55 -1.47 3.2097 -1.77 -1.58 -2.1585 -0.9993 3187283 PK04_093142 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H03 mock treatment 5.6023 0.902 0.85 5.822 0.837 0.75 1.1317 0.9978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H04 mock treatment 5.0312 0.33 0.31 4.6903 -0.294 -0.26 0.0355 0.0869 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H05 compound treatment 2.9664 -1.73 -1.64 3.0162 -1.97 -1.76 -2.4027 -0.9994 3068368 PK04_093143 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H06 compound treatment 7.8312 3.13 2.96 7.7886 2.8 2.5 3.8644 0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H07 compound treatment 3.3714 -1.33 -1.26 3.1895 -1.8 -1.6 -2.0224 -0.9929 3187285 PK04_093145 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H08 compound treatment 8.1866 3.49 3.3 7.6152 2.63 2.35 3.9928 0.9861 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H09 compound treatment 2.8243 -1.88 -1.78 2.4488 -2.54 -2.26 -2.8558 -0.9928 3187286 PK04_093147 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H10 compound treatment 3.4457 -1.26 -1.19 3.9875 -0.997 -0.89 -1.4692 -0.9898 3187287 PK04_093148 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H11 compound treatment 4.3266 -0.374 -0.35 3.9419 -1.04 -0.93 -0.9083 -0.9124 3068373 PK04_093149 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H12 compound treatment 4.9221 0.221 0.21 5.1226 0.138 0.12 0.2352 0.9679 3187288 PK04_093150 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H13 compound treatment 3.019 -1.68 -1.59 2.8536 -2.13 -1.9 -2.4701 -0.9961 3187289 PK04_093151 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H14 compound treatment 4.4913 -0.209 -0.2 3.8473 -1.14 -1.01 -0.8577 -0.8296 3068375 PK04_093152 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H15 compound treatment 3.8567 -0.844 -0.8 2.9341 -2.05 -1.83 -1.8586 -0.931 3187290 PK04_093153 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H16 compound treatment 5.3445 0.644 0.61 5.1108 0.126 0.11 0.5105 0.8238 3187291 PK04_093154 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H17 compound treatment 2.5525 -2.15 -2.03 2.0371 -2.95 -2.63 -3.2975 -0.9919 3068378 PK04_093155 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H18 compound treatment 3.8532 -0.848 -0.8 4.496 -0.489 -0.44 -0.8756 -0.9589 3187292 PK04_093156 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H19 mock treatment 5.1866 0.486 0.46 5.8184 0.834 0.74 0.8512 0.9733 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H20 mock treatment 5.5815 0.881 0.83 4.6621 -0.323 -0.29 0.386 0.4377 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H21 compound treatment 4.3037 -0.397 -0.38 4.8114 -0.173 -0.15 -0.3751 -0.9229 3187293 PK04_093157 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H22 compound treatment 3.9406 -0.76 -0.72 4.2189 -0.766 -0.68 -0.9919 -0.9997 3068380 PK04_093158 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H23 compound treatment 2.4434 -2.26 -2.14 2.094 -2.89 -2.58 -3.3347 -0.9956 3068402 PK04_093159 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 H24 compound treatment 2.2228 -2.48 -2.35 2.5232 -2.46 -2.2 -3.2115 -0.9995 3187294 PK04_093160 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I01 compound treatment 7.2509 2.55 2.41 6.8499 1.87 1.66 2.8837 0.9835 3068406 PK04_093161 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I02 compound treatment 6.5208 1.82 1.72 6.5727 1.59 1.42 2.2201 0.9953 3187295 PK04_093162 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I03 compound treatment 6.3242 1.62 1.54 6.137 1.15 1.03 1.8136 0.9809 3068409 PK04_093163 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I04 compound treatment 4.1107 -0.59 -0.56 4.0624 -0.922 -0.82 -0.9768 -0.9822 3187296 PK04_093164 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I05 mock treatment 4.9149 0.214 0.2 5.1125 0.128 0.11 0.224 0.9631 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I06 mock treatment 4.3914 -0.309 -0.29 5.1085 0.124 0.11 -0.129 -0.412 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I07 compound treatment 4.8439 0.143 0.14 5.0598 0.0751 0.07 0.1432 0.9474 3187297 PK04_093165 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I08 compound treatment 8.4886 3.79 3.59 7.451 2.47 2.2 4.0914 0.9725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I09 compound treatment 8.3364 3.64 3.44 7.7059 2.72 2.43 4.1504 0.9854 3187298 PK04_093167 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I10 compound treatment 4.9395 0.239 0.23 5.3956 0.411 0.37 0.4191 0.973 3187366 PK04_093168 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I11 compound treatment 10.3182 5.62 5.32 10.0317 5.05 4.5 6.9441 0.9966 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I12 compound treatment 9.1724 4.47 4.23 8.4059 3.42 3.05 5.1515 0.9871 3187367 PK04_093170 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I13 compound treatment 4.9404 0.24 0.23 5.1692 0.185 0.16 0.2768 0.9876 3068419 PK04_093171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I14 compound treatment 5.8171 1.12 1.06 6.2021 1.22 1.09 1.5153 0.9999 3187368 PK04_093172 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I15 compound treatment 6.5281 1.83 1.73 6.2874 1.3 1.16 2.045 0.9813 3068421 PK04_093173 COC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I16 compound treatment 2.6101 -2.09 -1.98 2.3677 -2.62 -2.33 -3.0504 -0.9966 3187369 PK04_093174 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I17 compound treatment 5.1328 0.432 0.41 5.1507 0.166 0.15 0.3939 0.9057 3068423 PK04_093175 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I18 compound treatment 4.5295 -0.171 -0.16 5.5998 0.615 0.55 0.2734 0.4778 3187370 PK04_093176 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I19 compound treatment 7.1483 2.45 2.32 6.7158 1.73 1.54 2.7304 0.9806 3187371 PK04_093177 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I20 compound treatment 4.2679 -0.433 -0.41 5.0082 0.0236 0.02 -0.2749 -0.6699 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I21 mock treatment 8.0219 3.32 3.14 8.0813 3.1 2.76 4.1766 0.9979 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I22 mock treatment 4.6929 -0.00786 -0.01 4.7908 -0.194 -0.17 -0.1276 -0.7369 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I23 compound treatment 8.2769 3.58 3.39 8.4875 3.5 3.13 4.6036 0.9992 3187372 PK04_093179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 I24 compound treatment 4.5442 -0.157 -0.15 5.2461 0.261 0.23 0.0602 0.2177 3068456 PK04_093180 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J01 compound treatment 3.227 -1.47 -1.4 2.9197 -2.06 -1.84 -2.2892 -0.9906 3187373 PK04_093181 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J02 compound treatment 4.2793 -0.421 -0.4 3.7858 -1.2 -1.07 -1.0385 -0.9096 3187374 PK04_093182 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J03 compound treatment 2.092 -2.61 -2.47 1.7802 -3.2 -2.86 -3.7678 -0.9973 3068460 PK04_093183 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J04 compound treatment 5.0349 0.334 0.32 4.8132 -0.171 -0.15 0.1155 0.3287 3187375 PK04_093184 COCCCNC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J05 mock treatment 4.5646 -0.136 -0.13 5.1046 0.12 0.11 -0.0155 -0.0924 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J06 mock treatment 4.7245 0.0237 0.02 5.2071 0.222 0.2 0.1562 0.7821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J07 compound treatment 4.8418 0.141 0.13 6.1152 1.13 1.01 0.8077 0.7938 3187376 PK04_093185 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J08 compound treatment 4.391 -0.31 -0.29 4.0052 -0.979 -0.87 -0.8253 -0.8953 3068463 PK04_093186 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J09 compound treatment 6.417 1.72 1.62 5.0368 0.0521 0.05 1.1817 0.7271 3187377 PK04_093187 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J10 compound treatment 2.3326 -2.37 -2.24 2.7895 -2.2 -1.96 -2.97 -0.9977 3068465 PK04_093188 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J11 compound treatment 4.4724 -0.228 -0.22 4.3096 -0.675 -0.6 -0.5787 -0.9044 3187378 PK04_093189 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J12 compound treatment 3.7677 -0.933 -0.88 4.0036 -0.981 -0.88 -1.2435 -1.0 3068467 PK04_093190 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J13 compound treatment 3.126 -1.57 -1.49 4.2672 -0.717 -0.64 -1.5067 -0.9287 3187379 PK04_093191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J14 compound treatment 3.4811 -1.22 -1.15 3.2198 -1.76 -1.57 -1.9298 -0.9884 3187380 PK04_093192 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J15 compound treatment 2.68 -2.02 -1.91 3.5352 -1.45 -1.29 -2.267 -0.9818 3068470 PK04_093193 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J16 compound treatment 8.6109 3.91 3.7 7.2817 2.3 2.05 4.0664 0.9611 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J17 compound treatment 2.239 -2.46 -2.33 2.2879 -2.7 -2.41 -3.349 -0.9999 3187382 PK04_093195 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J18 compound treatment 2.3915 -2.31 -2.19 2.2515 -2.73 -2.44 -3.27 -0.9985 3068473 PK04_093196 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J19 compound treatment 3.2966 -1.4 -1.33 3.2097 -1.77 -1.58 -2.0597 -0.9962 3187383 PK04_093197 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J20 compound treatment 3.6229 -1.08 -1.02 4.1374 -0.847 -0.76 -1.256 -0.9891 3068475 PK04_093198 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J21 mock treatment 4.9314 0.231 0.22 5.5705 0.586 0.52 0.524 0.925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J22 mock treatment 4.6463 -0.0545 -0.05 6.0196 1.04 0.92 0.6165 0.6666 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J23 compound treatment 2.9084 -1.79 -1.7 2.8795 -2.11 -1.88 -2.5278 -0.9987 3187384 PK04_093199 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 J24 compound treatment 3.2787 -1.42 -1.35 3.0972 -1.89 -1.68 -2.1426 -0.9938 3068477 PK04_093200 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K01 compound treatment 6.1837 1.48 1.4 6.4257 1.44 1.29 1.9018 0.999 3187385 PK04_093201 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K02 compound treatment 2.7996 -1.9 -1.8 3.2828 -1.7 -1.52 -2.3462 -0.9964 3187386 PK04_093202 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K03 compound treatment 8.7779 4.08 3.86 6.0355 1.05 0.94 3.392 0.8541 3187447 PK04_093203 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K04 compound treatment 3.275 -1.43 -1.35 3.3568 -1.63 -1.45 -1.9813 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K05 compound treatment 3.3386 -1.36 -1.29 3.0429 -1.94 -1.73 -2.1368 -0.9894 3187448 PK04_093205 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K06 compound treatment 2.9722 -1.73 -1.64 3.2452 -1.74 -1.55 -2.2544 -0.9996 3187449 PK04_093206 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K07 mock treatment 4.8422 0.141 0.13 5.2521 0.267 0.24 0.2634 0.9627 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K08 mock treatment 5.0178 0.317 0.3 4.6145 -0.37 -0.33 -0.0213 -0.0477 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K09 compound treatment 9.2826 4.58 4.34 8.8372 3.85 3.44 5.4974 0.9934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K10 compound treatment 2.1449 -2.56 -2.42 2.135 -2.85 -2.54 -3.5086 -0.9997 3187450 PK04_093208 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K11 compound treatment 2.5563 -2.14 -2.03 2.0934 -2.89 -2.58 -3.2594 -0.993 3068506 PK04_093209 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K12 compound treatment 6.6232 1.92 1.82 6.665 1.68 1.5 2.3469 0.9954 3187451 PK04_093210 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K13 compound treatment 8.4395 3.74 3.54 11.2274 6.24 5.57 6.441 0.976 3187452 PK04_093211 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K14 compound treatment 4.5169 -0.184 -0.17 5.1252 0.141 0.13 -0.0344 -0.1603 3068509 PK04_093212 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K15 mock treatment 4.9826 0.282 0.27 5.6798 0.695 0.62 0.6272 0.9289 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K16 mock treatment 5.4631 0.762 0.72 4.791 -0.194 -0.17 0.3881 0.5231 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K17 compound treatment 5.4031 0.702 0.66 5.062 0.0774 0.07 0.5189 0.7764 3187453 PK04_093213 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K18 compound treatment 7.278 2.58 2.44 7.4171 2.43 2.17 3.2597 0.9983 3187454 PK04_093214 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K19 compound treatment 7.453 2.75 2.61 7.4438 2.46 2.19 3.3936 0.9964 3068511 PK04_093215 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K20 compound treatment 4.446 -0.255 -0.24 4.2191 -0.765 -0.68 -0.6535 -0.9022 3187455 PK04_093216 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K21 compound treatment 4.2045 -0.496 -0.47 5.43 0.445 0.4 -0.0513 -0.0833 3068513 PK04_093217 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K22 compound treatment 5.3107 0.61 0.58 4.3722 -0.612 -0.55 0.0219 0.0275 3187456 PK04_093218 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K23 mock treatment 5.6309 0.93 0.88 4.8914 -0.0932 -0.08 0.5638 0.6375 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 K24 mock treatment 4.6522 -0.0486 -0.05 4.9302 -0.0544 -0.05 -0.0668 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L01 compound treatment 5.7088 1.01 0.95 4.8679 -0.117 -0.1 0.6011 0.6262 3187457 PK04_093219 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L02 compound treatment 3.5705 -1.13 -1.07 3.5589 -1.43 -1.27 -1.656 -0.9963 3068516 PK04_093220 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L03 compound treatment 3.547 -1.15 -1.09 2.932 -2.05 -1.83 -2.0673 -0.9695 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L04 compound treatment 5.469 0.768 0.73 4.599 -0.386 -0.34 0.271 0.3368 3187459 PK04_093222 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L05 compound treatment 4.8382 0.137 0.13 4.4372 -0.547 -0.49 -0.2533 -0.5012 3068518 PK04_093223 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L06 compound treatment 4.5544 -0.146 -0.14 5.2045 0.22 0.2 0.0407 0.1696 3187460 PK04_093224 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L07 mock treatment 4.8824 0.182 0.17 4.7012 -0.283 -0.25 -0.0573 -0.1873 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L08 mock treatment 4.2966 -0.404 -0.38 5.4057 0.421 0.38 -0.0049 -0.0091 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L09 compound treatment 3.3297 -1.37 -1.3 3.4045 -1.58 -1.41 -1.9146 -0.9991 3068520 PK04_093225 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L10 compound treatment 5.1756 0.475 0.45 4.9021 -0.0825 -0.07 0.2657 0.5835 3187461 PK04_093226 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L11 compound treatment 3.627 -1.07 -1.02 2.4252 -2.56 -2.28 -2.3334 -0.9335 3187462 PK04_093227 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L12 compound treatment 3.9679 -0.733 -0.69 4.1295 -0.855 -0.76 -1.03 -0.9989 3187463 PK04_093228 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L13 compound treatment 4.3818 -0.319 -0.3 4.1759 -0.809 -0.72 -0.7237 -0.9252 3068543 PK04_093229 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L14 compound treatment 4.4657 -0.235 -0.22 3.8093 -1.18 -1.05 -0.8988 -0.8385 3187464 PK04_093230 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L15 mock treatment 4.4949 -0.206 -0.19 5.6424 0.658 0.59 0.2772 0.4483 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L16 mock treatment 5.4551 0.754 0.71 6.5818 1.6 1.43 1.5125 0.9489 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L17 compound treatment 4.329 -0.372 -0.35 3.764 -1.22 -1.09 -1.0189 -0.8903 3068545 PK04_093231 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L18 compound treatment 4.1359 -0.565 -0.53 2.9256 -2.06 -1.84 -1.6771 -0.8766 3187465 PK04_093232 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L19 compound treatment 2.3359 -2.36 -2.24 2.0547 -2.93 -2.61 -3.4314 -0.997 3187466 PK04_093233 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L20 compound treatment 3.222 -1.48 -1.4 3.1325 -1.85 -1.65 -2.1583 -0.9966 3068547 PK04_093234 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L21 compound treatment 4.6685 -0.0323 -0.03 4.2593 -0.725 -0.65 -0.4792 -0.7397 3187467 PK04_093235 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L22 compound treatment 3.3582 -1.34 -1.27 3.1975 -1.79 -1.59 -2.0261 -0.9937 3068549 PK04_093236 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L23 mock treatment 4.3995 -0.301 -0.29 4.7817 -0.203 -0.18 -0.3297 -0.976 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 L24 mock treatment 4.172 -0.529 -0.5 4.369 -0.616 -0.55 -0.7423 -0.9989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M01 compound treatment 3.878 -0.823 -0.78 4.3471 -0.638 -0.57 -0.9529 -0.9881 3187528 PK04_093237 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M02 compound treatment 2.7338 -1.97 -1.86 2.7394 -2.25 -2.0 -2.7331 -0.9993 3187529 PK04_093238 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M03 compound treatment 2.3316 -2.37 -2.24 2.2778 -2.71 -2.42 -3.2935 -0.9993 3068551 PK04_093239 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M04 compound treatment 4.9604 0.26 0.25 6.2473 1.26 1.13 0.9704 0.8416 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M05 compound treatment 4.3458 -0.355 -0.34 4.1931 -0.791 -0.71 -0.7369 -0.9423 3068553 PK04_093241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M06 compound treatment 4.9752 0.274 0.26 5.5714 0.587 0.52 0.5539 0.9477 3187531 PK04_093242 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M07 compound treatment 6.477 1.78 1.68 5.9781 0.993 0.89 1.8157 0.9553 3187532 PK04_093243 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M08 compound treatment 4.226 -0.475 -0.45 4.0965 -0.888 -0.79 -0.8781 -0.9639 3068555 PK04_093244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M09 mock treatment 4.339 -0.362 -0.34 6.1726 1.19 1.06 0.5073 0.4555 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M10 mock treatment 4.7829 0.0821 0.08 5.2382 0.254 0.23 0.215 0.8985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M11 compound treatment 6.1258 1.42 1.35 6.9928 2.01 1.79 2.2207 0.9902 3187533 PK04_093245 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M12 compound treatment 3.8449 -0.856 -0.81 4.4955 -0.489 -0.44 -0.8815 -0.9579 3187534 PK04_093246 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M13 mock treatment 4.4674 -0.233 -0.22 5.9246 0.94 0.84 0.4368 0.5037 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M14 mock treatment 4.8365 0.136 0.13 4.8673 -0.117 -0.1 0.0169 0.1017 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M15 compound treatment 3.5007 -1.2 -1.14 4.0461 -0.939 -0.84 -1.3954 -0.9887 3068558 PK04_093247 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M16 compound treatment 6.2358 1.54 1.45 6.1104 1.13 1.0 1.7377 0.9837 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M17 compound treatment 8.2704 3.57 3.38 9.5611 4.58 4.08 5.2765 0.9956 3068560 PK04_093249 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M18 compound treatment 4.5005 -0.2 -0.19 4.8075 -0.177 -0.16 -0.2458 -0.9959 3187536 PK04_093250 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M19 compound treatment 6.3516 1.65 1.56 6.8647 1.88 1.68 2.2911 0.9994 3187537 PK04_093251 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M20 compound treatment 4.3339 -0.367 -0.35 4.6416 -0.343 -0.31 -0.462 -0.998 3068562 PK04_093252 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCOCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M21 compound treatment 8.8027 4.1 3.88 9.1819 4.2 3.74 5.3936 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M22 compound treatment 7.3424 2.64 2.5 6.6074 1.62 1.45 2.7919 0.9662 3187538 PK04_093254 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M23 compound treatment 4.5649 -0.136 -0.13 4.7535 -0.231 -0.21 -0.2367 -0.9742 3068589 PK04_093255 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 M24 compound treatment 4.871 0.17 0.16 4.5017 -0.483 -0.43 -0.1907 -0.4146 3187539 PK04_093256 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N01 compound treatment 2.6323 -2.07 -1.96 2.5875 -2.4 -2.14 -2.8968 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N02 compound treatment 2.9477 -1.75 -1.66 2.9319 -2.05 -1.83 -2.4684 -0.9988 3187541 PK04_093258 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N03 compound treatment 3.5852 -1.12 -1.06 4.0748 -0.91 -0.81 -1.3207 -0.9916 3068594 PK04_093259 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CC=C)C3=O)[C@@H](O2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N04 compound treatment 3.2884 -1.41 -1.34 3.6387 -1.35 -1.2 -1.7945 -0.9986 3187542 PK04_093260 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N05 compound treatment 3.0375 -1.66 -1.57 3.3011 -1.68 -1.5 -2.1754 -0.9997 3068597 PK04_093261 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N06 compound treatment 5.3821 0.681 0.64 7.136 2.15 1.92 1.8133 0.8955 3187543 PK04_093262 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N07 compound treatment 3.0007 -1.7 -1.61 2.8318 -2.15 -1.92 -2.4962 -0.9961 3187544 PK04_093263 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CC=C)C3=O)[C@H](O2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N08 compound treatment 3.8118 -0.889 -0.84 4.3147 -0.67 -0.6 -1.0177 -0.9859 3068600 PK04_093264 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N09 mock treatment 5.1444 0.444 0.42 5.7638 0.779 0.7 0.7885 0.9709 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N10 mock treatment 4.2113 -0.489 -0.46 4.7465 -0.238 -0.21 -0.4779 -0.9375 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N11 compound treatment 4.9003 0.199 0.19 4.8798 -0.105 -0.09 0.0674 0.3199 3187545 PK04_093265 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N12 compound treatment 4.4478 -0.253 -0.24 5.5292 0.545 0.49 0.1742 0.3217 3187546 PK04_093266 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N13 mock treatment 5.4557 0.755 0.71 4.9246 -0.06 -0.05 0.4675 0.6523 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N14 mock treatment 5.17 0.469 0.44 5.3948 0.41 0.37 0.5728 0.9954 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N15 compound treatment 4.9042 0.203 0.19 5.2138 0.229 0.2 0.2807 0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N16 compound treatment 6.9572 2.26 2.14 5.7125 0.728 0.65 1.9695 0.8822 3187547 PK04_093268 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N17 compound treatment 3.997 -0.704 -0.67 4.0628 -0.922 -0.82 -1.0527 -0.9945 3068605 PK04_093269 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N18 compound treatment 3.6665 -1.03 -0.98 3.5472 -1.44 -1.28 -1.5992 -0.9911 3187548 PK04_093270 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N19 compound treatment 1.6501 -3.05 -2.89 2.2191 -2.77 -2.47 -3.7866 -0.9969 3068607 PK04_093271 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N20 compound treatment 7.2478 2.55 2.41 6.4579 1.47 1.31 2.6343 0.9593 3186297 PK04_093272 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N21 compound treatment 3.4913 -1.21 -1.14 2.9906 -1.99 -1.78 -2.0676 -0.9773 3186298 PK04_093273 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CC=C)C3=O)[C@@H](O2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N22 compound treatment 5.3121 0.611 0.58 5.8429 0.858 0.77 0.9507 0.9905 3068610 PK04_093274 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N23 compound treatment 2.9863 -1.71 -1.62 3.2519 -1.73 -1.55 -2.2407 -0.9997 3068635 PK04_093275 CC(=O)N1Cc2ccccc2C[C@]3(N=C(O[C@@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 N24 compound treatment 2.719 -1.98 -1.88 3.0769 -1.91 -1.7 -2.53 -0.9988 3186299 PK04_093276 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O01 compound treatment 4.4492 -0.252 -0.24 4.4836 -0.501 -0.45 -0.4845 -0.9566 3068638 PK04_093277 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O02 compound treatment 3.8161 -0.885 -0.84 3.98 -1.0 -0.9 -1.226 -0.9994 3186300 PK04_093278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O03 compound treatment 2.6947 -2.01 -1.9 2.9919 -1.99 -1.78 -2.5999 -0.9995 3068640 PK04_093279 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O04 compound treatment 7.3468 2.65 2.5 6.029 1.04 0.93 2.43 0.9093 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O05 compound treatment 4.9595 0.259 0.24 5.0119 0.0273 0.02 0.1904 0.7736 3068642 PK04_093281 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O06 compound treatment 4.2294 -0.471 -0.45 3.8711 -1.11 -0.99 -1.018 -0.9347 3186302 PK04_093282 COCCCNC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O07 compound treatment 7.1107 2.41 2.28 5.6539 0.669 0.6 2.0353 0.8631 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O08 compound treatment 3.4907 -1.21 -1.15 3.2841 -1.7 -1.52 -1.8828 -0.9904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O09 compound treatment 3.7241 -0.977 -0.92 3.8311 -1.15 -1.03 -1.3814 -0.9986 3186304 PK04_093285 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O10 compound treatment 2.0352 -2.67 -2.52 2.0577 -2.93 -2.61 -3.6308 -0.9999 3186305 PK04_093286 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O11 mock treatment 3.904 -0.797 -0.75 3.5993 -1.39 -1.24 -1.4073 -0.9719 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O12 mock treatment 4.6376 -0.0632 -0.06 3.8449 -1.14 -1.02 -0.7613 -0.7474 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O13 compound treatment 4.0356 -0.665 -0.63 3.1523 -1.83 -1.63 -1.6012 -0.914 3068648 PK04_093287 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O14 compound treatment 3.0955 -1.61 -1.52 3.1484 -1.84 -1.64 -2.2329 -0.9993 3186306 PK04_093288 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O15 compound treatment 6.1058 1.41 1.33 5.1174 0.133 0.12 1.0242 0.767 3068650 PK04_093289 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O16 compound treatment 7.776 3.08 2.91 6.1387 1.15 1.03 2.7865 0.9024 3186307 PK04_093290 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O17 compound treatment 7.8751 3.17 3.0 7.4621 2.48 2.21 3.6877 0.9886 3186308 PK04_093291 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O18 compound treatment 3.6818 -1.02 -0.96 3.0316 -1.95 -1.74 -1.9142 -0.9611 3068652 PK04_093292 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O19 compound treatment 4.2346 -0.466 -0.44 4.0466 -0.938 -0.84 -0.9038 -0.9553 3186309 PK04_093293 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O20 compound treatment 2.677 -2.02 -1.92 2.576 -2.41 -2.15 -2.8742 -0.9984 3068654 PK04_093294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O21 compound treatment 4.3106 -0.39 -0.37 4.6187 -0.366 -0.33 -0.492 -0.9981 3186310 PK04_093295 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O22 compound treatment 3.8328 -0.868 -0.82 3.9953 -0.989 -0.88 -1.2051 -0.9994 3186311 PK04_093296 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O23 compound treatment 7.3464 2.65 2.5 7.5938 2.61 2.33 3.4169 0.9993 3068656 PK04_093297 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 O24 compound treatment 1.2881 -3.41 -3.23 1.3502 -3.63 -3.24 -4.5772 -1.0 3186312 PK04_093298 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P01 compound treatment 3.3116 -1.39 -1.32 3.3008 -1.68 -1.5 -1.9921 -0.9978 3186313 PK04_093299 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P02 compound treatment 3.1502 -1.55 -1.47 2.9582 -2.03 -1.81 -2.3163 -0.9946 3186314 PK04_093300 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P03 compound treatment 1.7401 -2.96 -2.8 1.9979 -2.99 -2.66 -3.866 -0.9997 3067960 PK04_093301 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P04 compound treatment 3.6487 -1.05 -1.0 3.3414 -1.64 -1.47 -1.7409 -0.9822 3186315 PK04_093302 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P05 compound treatment 3.2194 -1.48 -1.4 2.6461 -2.34 -2.09 -2.4669 -0.9813 3186316 PK04_093303 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P06 compound treatment 5.0852 0.384 0.36 4.0318 -0.953 -0.85 -0.3438 -0.3718 3067963 PK04_093304 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P07 compound treatment 4.8693 0.169 0.16 3.7524 -1.23 -1.1 -0.6645 -0.5982 3186317 PK04_093305 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P08 compound treatment 3.4275 -1.27 -1.21 2.8174 -2.17 -1.93 -2.2195 -0.9741 3186362 PK04_093306 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P09 compound treatment 4.1406 -0.56 -0.53 4.8885 -0.0961 -0.09 -0.4356 -0.8109 3067965 PK04_093307 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P10 compound treatment 3.8576 -0.843 -0.8 3.9172 -1.07 -0.95 -1.2379 -0.9961 3186363 PK04_093308 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P11 mock treatment 4.5083 -0.192 -0.18 4.2586 -0.726 -0.65 -0.5869 -0.8721 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P12 mock treatment 3.5719 -1.13 -1.07 4.2595 -0.725 -0.65 -1.2131 -0.9711 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P13 compound treatment 1.836 -2.86 -2.71 1.6474 -3.34 -2.98 -4.0229 -0.9989 3186364 PK04_093309 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P14 compound treatment 1.5378 -3.16 -2.99 1.6098 -3.37 -3.01 -4.2462 -1.0 3067968 PK04_093310 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P15 compound treatment 3.3799 -1.32 -1.25 3.3792 -1.61 -1.43 -1.897 -0.9977 3186365 PK04_093311 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P16 compound treatment 4.4987 -0.202 -0.19 4.3317 -0.653 -0.58 -0.5472 -0.8924 3186366 PK04_093312 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P17 compound treatment 2.5053 -2.2 -2.08 2.7449 -2.24 -2.0 -2.8825 -0.9998 3067970 PK04_093313 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P18 compound treatment 3.8804 -0.82 -0.78 3.7125 -1.27 -1.14 -1.3517 -0.9829 3186367 PK04_093314 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P19 compound treatment 1.9068 -2.79 -2.64 2.2912 -2.69 -2.4 -3.5694 -0.9989 3067972 PK04_093315 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CC=C)C3=O)[C@H](O2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P20 compound treatment 2.6634 -2.04 -1.93 2.5818 -2.4 -2.14 -2.8796 -0.9986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P21 compound treatment 1.8356 -2.87 -2.71 2.4248 -2.56 -2.28 -3.5328 -0.9963 3067974 PK04_093317 CC(=O)N1Cc2ccccc2C[C@@]3(N=C(O[C@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P22 compound treatment 3.4894 -1.21 -1.15 4.0375 -0.947 -0.85 -1.4083 -0.9887 3186369 PK04_093318 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P23 compound treatment 4.2735 -0.427 -0.4 4.7886 -0.196 -0.17 -0.4096 -0.9297 3067976 PK04_093319 CC(=O)N1Cc2ccccc2C[C@@]3(COC(=N3)c4ccc(OCCCO)cc4)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2093 P24 compound treatment 3.1322 -1.57 -1.48 2.7034 -2.28 -2.04 -2.4891 -0.988 3186370 PK04_093320 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A01 compound treatment 5.0527 0.257 0.24 4.6945 -0.412 -0.37 -0.0883 -0.2002 3186371 PK04_094001 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A02 compound treatment 4.8239 0.028 0.03 4.5882 -0.519 -0.46 -0.3086 -0.6656 3067979 PK04_094002 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A03 compound treatment 4.7989 0.003 0.0 4.4784 -0.629 -0.56 -0.3945 -0.7035 3068002 PK04_094003 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A04 compound treatment 6.3961 1.6 1.51 6.1326 1.03 0.92 1.7182 0.9709 3186372 PK04_094004 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A05 compound treatment 3.8112 -0.985 -0.93 4.2703 -0.837 -0.75 -1.187 -0.9939 3068007 PK04_094005 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A06 compound treatment 2.1571 -2.64 -2.5 2.368 -2.74 -2.44 -3.4943 -0.9999 3186373 PK04_094006 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A07 compound treatment 3.953 -0.843 -0.8 4.7342 -0.373 -0.33 -0.7994 -0.9247 3186374 PK04_094007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A08 compound treatment 4.4295 -0.366 -0.35 3.7835 -1.32 -1.18 -1.0802 -0.8777 3068010 PK04_094008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A09 compound treatment 4.3811 -0.415 -0.39 4.5588 -0.548 -0.49 -0.6235 -0.9941 3186375 PK04_094009 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A10 compound treatment 3.6041 -1.19 -1.13 3.3708 -1.74 -1.55 -1.8931 -0.9879 3068013 PK04_094010 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A11 compound treatment 3.7571 -1.04 -0.98 4.2405 -0.866 -0.77 -1.2419 -0.9929 3186376 PK04_094011 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A12 compound treatment 3.6806 -1.12 -1.06 3.4572 -1.65 -1.47 -1.7873 -0.9867 3186377 PK04_094012 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A13 mock treatment 4.7058 -0.0901 -0.09 5.0543 -0.0527 -0.05 -0.0935 -0.9606 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A14 mock treatment 5.9258 1.13 1.07 5.0121 -0.0948 -0.08 0.6965 0.6492 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A15 compound treatment 4.066 -0.73 -0.69 3.5823 -1.52 -1.36 -1.4504 -0.9507 3068016 PK04_094013 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A16 compound treatment 4.3569 -0.439 -0.42 4.1368 -0.97 -0.87 -0.9059 -0.9435 3186378 PK04_094014 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A17 compound treatment 6.4588 1.66 1.57 5.2512 0.144 0.13 1.204 0.7624 3068018 PK04_094015 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A18 compound treatment 4.0593 -0.737 -0.7 4.8805 -0.226 -0.2 -0.636 -0.876 3186379 PK04_094016 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A19 compound treatment 1.4362 -3.36 -3.18 1.5676 -3.54 -3.16 -4.4817 -1.0 3186380 PK04_094017 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A20 compound treatment 4.7131 -0.0828 -0.08 5.2177 0.111 0.1 0.0144 0.1143 3068020 PK04_094018 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A21 compound treatment 4.0224 -0.774 -0.73 3.8982 -1.21 -1.08 -1.2804 -0.9822 3186381 PK04_094019 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A22 compound treatment 5.3595 0.564 0.53 6.0528 0.946 0.84 0.9739 0.9755 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A23 compound treatment 5.2314 0.435 0.41 5.5804 0.473 0.42 0.5902 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 A24 compound treatment 3.9635 -0.832 -0.79 4.5782 -0.529 -0.47 -0.8907 -0.9699 3186438 PK04_094022 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B01 compound treatment 4.4929 -0.303 -0.29 4.2 -0.907 -0.81 -0.775 -0.9027 3186439 PK04_094023 CCCN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B02 compound treatment 5.3546 0.559 0.53 5.9744 0.867 0.77 0.9212 0.9828 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B03 compound treatment 3.3928 -1.4 -1.33 3.5864 -1.52 -1.36 -1.8985 -0.9999 3068022 PK04_094025 CCCN1C(=O)[C@]2(Cc3ccccc13)N=C(O[C@@H]2c4ccccc4)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B04 compound treatment 5.0021 0.206 0.2 6.195 1.09 0.97 0.8245 0.8326 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B05 compound treatment 2.1707 -2.63 -2.49 2.8984 -2.21 -1.97 -3.1505 -0.9934 3186440 PK04_094027 CCCN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B06 compound treatment 4.8192 0.0233 0.02 6.2639 1.16 1.03 0.7455 0.722 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B07 compound treatment 4.795 -9.48E-4 0.0 4.9297 -0.177 -0.16 -0.1125 -0.7111 3068023 PK04_094029 CN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B08 compound treatment 4.991 0.195 0.18 5.4215 0.315 0.28 0.329 0.9794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B09 compound treatment 4.1201 -0.676 -0.64 4.0235 -1.08 -0.97 -1.1359 -0.9799 3186441 PK04_094031 CN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B10 compound treatment 4.5572 -0.239 -0.23 5.6507 0.544 0.49 0.1833 0.3425 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B11 compound treatment 3.1357 -1.66 -1.57 4.197 -0.91 -0.81 -1.6853 -0.9528 3186442 PK04_094033 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B12 compound treatment 7.1582 2.36 2.24 6.9444 1.84 1.64 2.7404 0.9884 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B13 mock treatment 5.022 0.226 0.21 6.0907 0.984 0.88 0.7719 0.8545 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B14 mock treatment 4.4861 -0.31 -0.29 5.485 0.378 0.34 0.0311 0.0697 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B15 compound treatment 4.2891 -0.507 -0.48 3.667 -1.44 -1.28 -1.2477 -0.9098 3068024 PK04_094035 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B16 compound treatment 5.285 0.489 0.46 6.0304 0.923 0.82 0.91 0.9628 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B17 compound treatment 3.0566 -1.74 -1.65 3.9813 -1.13 -1.0 -1.8744 -0.9719 3186443 PK04_094037 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B18 compound treatment 6.8822 2.09 1.97 7.2357 2.13 1.9 2.7395 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B19 compound treatment 2.54 -2.26 -2.14 3.0303 -2.08 -1.85 -2.8201 -0.9975 3068025 PK04_094039 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B20 compound treatment 6.5848 1.79 1.69 5.8472 0.74 0.66 1.6644 0.9157 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B21 compound treatment 2.7251 -2.07 -1.96 2.7028 -2.4 -2.15 -2.9029 -0.999 3186444 PK04_094041 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B22 compound treatment 4.5316 -0.264 -0.25 5.5755 0.469 0.42 0.1187 0.2436 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B23 compound treatment 1.897 -2.9 -2.74 1.8469 -3.26 -2.91 -3.9971 -0.9996 3186445 PK04_094043 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 B24 compound treatment 8.6459 3.85 3.64 8.1592 3.05 2.72 4.5026 0.9897 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C01 compound treatment 3.5736 -1.22 -1.16 3.9381 -1.17 -1.04 -1.5556 -0.9987 3068026 PK04_094045 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C02 compound treatment 5.2826 0.487 0.46 5.6103 0.503 0.45 0.6434 0.9999 3068051 PK04_094046 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C03 compound treatment 4.4375 -0.358 -0.34 4.142 -0.965 -0.86 -0.8487 -0.9171 3068052 PK04_094047 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C04 compound treatment 5.2009 0.405 0.38 5.7598 0.653 0.58 0.6829 0.9794 3068053 PK04_094048 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCOCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C05 compound treatment 3.2698 -1.53 -1.44 3.5935 -1.51 -1.35 -1.9763 -0.9994 3068054 PK04_094049 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C06 compound treatment 3.3226 -1.47 -1.39 3.3788 -1.73 -1.54 -2.0764 -0.9987 3186446 PK04_094050 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C07 compound treatment 6.1611 1.37 1.29 6.1435 1.04 0.92 1.5677 0.9865 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C08 compound treatment 9.9328 5.14 4.86 7.2934 2.19 1.95 4.8178 0.9195 3186447 PK04_094052 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C09 compound treatment 2.6944 -2.1 -1.99 2.8436 -2.26 -2.02 -2.8345 -1.0 3068056 PK04_094053 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C10 compound treatment 3.4991 -1.3 -1.23 3.2439 -1.86 -1.66 -2.0434 -0.9889 3186448 PK04_094054 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C11 mock treatment 5.1554 0.359 0.34 5.1059 -0.00105 0.0 0.24 0.7052 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C12 mock treatment 4.4737 -0.322 -0.3 5.0771 -0.0298 -0.03 -0.2345 -0.7659 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C13 compound treatment 5.0809 0.285 0.27 5.0896 -0.0174 -0.02 0.1798 0.6654 3186449 PK04_094055 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C14 compound treatment 2.9808 -1.82 -1.72 3.1839 -1.92 -1.72 -2.4282 -1.0 3068057 PK04_094056 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C15 mock treatment 3.8133 -0.983 -0.93 4.7185 -0.388 -0.35 -0.9027 -0.9095 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C16 mock treatment 5.3261 0.53 0.5 4.3489 -0.758 -0.68 -0.1234 -0.1465 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C17 compound treatment 4.7751 -0.0209 -0.02 2.6146 -2.49 -2.22 -1.5863 -0.7134 3186450 PK04_094057 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C18 compound treatment 4.2457 -0.55 -0.52 4.3147 -0.792 -0.71 -0.8681 -0.9887 3186451 PK04_094058 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C19 compound treatment 7.9911 3.2 3.02 6.9494 1.84 1.64 3.301 0.9589 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C20 compound treatment 2.7424 -2.05 -1.94 2.7463 -2.36 -2.11 -2.8638 -0.9992 3186452 PK04_094060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C21 compound treatment 7.6483 2.85 2.7 6.2643 1.16 1.03 2.6394 0.913 3068059 PK04_094061 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C22 compound treatment 7.119 2.32 2.2 8.0889 2.98 2.66 3.4362 0.9955 3186453 PK04_094062 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C23 compound treatment 4.0141 -0.782 -0.74 4.1891 -0.918 -0.82 -1.1023 -0.9987 3186454 PK04_094063 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 C24 compound treatment 7.7324 2.94 2.78 6.2971 1.19 1.06 2.7164 0.9129 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D01 compound treatment 5.1845 0.389 0.37 4.5283 -0.579 -0.52 -0.1049 -0.1655 3186455 PK04_094065 CN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D02 compound treatment 10.887 6.09 5.77 11.3577 6.25 5.58 8.0205 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D03 compound treatment 3.799 -0.997 -0.94 4.2329 -0.874 -0.78 -1.2187 -0.9955 3186456 PK04_094067 CCCN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D04 compound treatment 8.8149 4.02 3.8 10.7313 5.62 5.02 6.2384 0.9907 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D05 compound treatment 3.7995 -0.996 -0.94 4.187 -0.92 -0.82 -1.2473 -0.9976 3068061 PK04_094069 CCCN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D06 compound treatment 9.5277 4.73 4.48 10.7935 5.69 5.07 6.7548 0.9981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D07 compound treatment 5.281 0.485 0.46 4.8724 -0.235 -0.21 0.1767 0.3501 3186457 PK04_094071 CCCN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D08 compound treatment 9.1954 4.4 4.16 10.5736 5.47 4.88 6.3936 0.9969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D09 compound treatment 5.1294 0.333 0.32 5.4347 0.328 0.29 0.43 0.9993 3068062 PK04_094073 CCCN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D10 compound treatment 8.9547 4.16 3.94 10.9119 5.8 5.18 6.4459 0.9908 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D11 mock treatment 4.3549 -0.441 -0.42 4.9831 -0.124 -0.11 -0.3733 -0.8644 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D12 mock treatment 4.548 -0.248 -0.23 5.2384 0.131 0.12 -0.0831 -0.3166 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D13 compound treatment 4.0396 -0.756 -0.72 4.2443 -0.863 -0.77 -1.0505 -0.9993 3186504 PK04_094075 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D14 compound treatment 9.6523 4.86 4.6 9.9134 4.81 4.29 6.2829 0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D15 mock treatment 4.3974 -0.398 -0.38 4.7543 -0.353 -0.31 -0.4892 -0.9959 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D16 mock treatment 3.913 -0.883 -0.84 4.1333 -0.974 -0.87 -1.2053 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D17 compound treatment 2.8874 -1.91 -1.81 2.9461 -2.16 -1.93 -2.6408 -0.9995 3186505 PK04_094077 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D18 compound treatment 9.3453 4.55 4.31 9.8713 4.76 4.25 6.0508 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D19 compound treatment 3.8223 -0.974 -0.92 4.3361 -0.771 -0.69 -1.138 -0.9896 3068063 PK04_094079 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D20 compound treatment 8.3734 3.58 3.39 9.1298 4.02 3.59 4.9326 0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D21 compound treatment 2.4807 -2.32 -2.19 2.2315 -2.88 -2.57 -3.3638 -0.9969 3186506 PK04_094081 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D22 compound treatment 8.2304 3.43 3.25 9.7435 4.64 4.14 5.224 0.9929 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D23 compound treatment 2.3078 -2.49 -2.36 2.4934 -2.61 -2.33 -3.3143 -1.0 3068064 PK04_094083 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 D24 compound treatment 4.8653 0.0693 0.07 4.852 -0.255 -0.23 -0.1144 -0.4834 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E01 mock treatment 4.561 -0.235 -0.22 5.2977 0.191 0.17 -0.0369 -0.1317 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E02 mock treatment 4.9001 0.104 0.1 4.6538 -0.453 -0.4 -0.2161 -0.5194 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E03 compound treatment 7.5549 2.76 2.61 7.2856 2.18 1.94 3.2212 0.9894 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E04 compound treatment 3.1403 -1.66 -1.57 3.6775 -1.43 -1.28 -2.01 -0.9948 3186508 PK04_094086 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E05 compound treatment 5.6673 0.871 0.82 5.0616 -0.0454 -0.04 0.5546 0.6716 3068065 PK04_094087 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E06 compound treatment 4.2289 -0.567 -0.54 3.4826 -1.62 -1.45 -1.4043 -0.9087 3186509 PK04_094088 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E07 compound treatment 2.9718 -1.82 -1.73 3.7935 -1.31 -1.17 -2.0496 -0.9822 3068066 PK04_094089 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E08 compound treatment 7.4475 2.65 2.51 7.0122 1.91 1.7 2.9768 0.982 3186510 PK04_094090 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E09 mock treatment 4.4972 -0.299 -0.28 5.452 0.345 0.31 0.0177 0.0425 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E10 mock treatment 5.1469 0.351 0.33 4.1563 -0.951 -0.85 -0.3648 -0.4005 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E11 compound treatment 3.9779 -0.818 -0.77 3.8337 -1.27 -1.14 -1.3508 -0.9826 3186511 PK04_094091 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E12 compound treatment 6.5199 1.72 1.63 5.0919 -0.015 -0.01 1.1444 0.7013 3068067 PK04_094092 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E13 compound treatment 4.4609 -0.335 -0.32 4.4072 -0.7 -0.62 -0.6657 -0.9507 3186512 PK04_094093 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E14 compound treatment 2.8022 -1.99 -1.89 2.4543 -2.65 -2.37 -3.008 -0.9937 3068068 PK04_094094 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E15 compound treatment 5.4793 0.683 0.65 4.7851 -0.322 -0.29 0.2543 0.3594 3186513 PK04_094095 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E16 compound treatment 5.9778 1.18 1.12 5.0698 -0.0372 -0.03 0.7677 0.6859 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E17 mock treatment 4.7419 -0.054 -0.05 3.1207 -1.99 -1.77 -1.2893 -0.7272 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E18 mock treatment 3.807 -0.989 -0.94 4.7987 -0.308 -0.28 -0.8564 -0.8777 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E19 compound treatment 6.6407 1.84 1.75 6.4716 1.36 1.22 2.0957 0.9845 3186514 PK04_094097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E20 compound treatment 2.9316 -1.86 -1.76 3.0143 -2.09 -1.87 -2.5682 -0.9996 3186515 PK04_094098 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E21 compound treatment 5.282 0.486 0.46 4.0765 -1.03 -0.92 -0.3247 -0.3159 3068070 PK04_094099 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E22 compound treatment 5.0459 0.25 0.24 4.049 -1.06 -0.94 -0.5002 -0.514 3186516 PK04_094100 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E23 compound treatment 3.8696 -0.926 -0.88 3.9272 -1.18 -1.05 -1.3643 -0.9959 3068071 PK04_094101 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 E24 compound treatment 4.0704 -0.726 -0.69 3.7063 -1.4 -1.25 -1.3693 -0.9603 3186517 PK04_094102 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F01 mock treatment 5.1067 0.311 0.29 5.2004 0.0935 0.08 0.267 0.8732 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F02 mock treatment 5.6722 0.876 0.83 5.4924 0.385 0.34 0.8297 0.924 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F03 compound treatment 5.5385 0.743 0.7 5.1404 0.0335 0.03 0.5181 0.7365 3068072 PK04_094103 CN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F04 compound treatment 5.4606 0.665 0.63 6.5947 1.49 1.33 1.3835 0.9418 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F05 compound treatment 6.542 1.75 1.65 5.974 0.867 0.77 1.7157 0.9402 3186518 PK04_094105 CN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F06 compound treatment 4.9624 0.167 0.16 5.4411 0.334 0.3 0.3223 0.9556 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F07 compound treatment 4.8831 0.0872 0.08 4.1678 -0.939 -0.84 -0.5342 -0.6344 3186519 PK04_094107 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F08 compound treatment 5.9007 1.1 1.05 6.54 1.43 1.28 1.6436 0.995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F09 mock treatment 4.9398 0.144 0.14 4.316 -0.791 -0.71 -0.4027 -0.5603 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F10 mock treatment 4.6249 -0.171 -0.16 5.7121 0.605 0.54 0.2673 0.4742 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F11 compound treatment 4.2827 -0.513 -0.49 4.035 -1.07 -0.96 -1.0198 -0.9507 3068073 PK04_094109 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F12 compound treatment 5.0642 0.268 0.25 6.617 1.51 1.35 1.1323 0.8259 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F13 compound treatment 4.9174 0.121 0.11 6.2621 1.16 1.03 0.8101 0.7811 3186520 PK04_094111 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F14 compound treatment 6.8603 2.06 1.95 6.925 1.82 1.62 2.5288 0.9957 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F15 compound treatment 3.8409 -0.955 -0.9 3.3375 -1.77 -1.58 -1.7555 -0.965 3186521 PK04_094113 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F16 compound treatment 5.8913 1.1 1.04 5.4418 0.335 0.3 0.9445 0.8752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F17 mock treatment 4.6025 -0.193 -0.18 4.5761 -0.531 -0.47 -0.4644 -0.9145 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F18 mock treatment 5.2862 0.49 0.46 5.6194 0.512 0.46 0.6514 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F19 compound treatment 1.6214 -3.17 -3.01 1.5466 -3.56 -3.18 -4.371 -0.9996 3068074 PK04_094115 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F20 compound treatment 4.777 -0.019 -0.02 5.3236 0.217 0.19 0.124 0.6387 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F21 compound treatment 3.7337 -1.06 -1.01 3.7266 -1.38 -1.23 -1.5819 -0.9949 3186522 PK04_094117 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F22 compound treatment 5.4986 0.703 0.67 5.7064 0.599 0.53 0.8485 0.9942 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F23 compound treatment 1.2857 -3.51 -3.32 1.3387 -3.77 -3.36 -4.7269 -1.0 3186523 PK04_094119 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 F24 compound treatment 4.6172 -0.179 -0.17 4.5975 -0.509 -0.45 -0.4411 -0.9094 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G01 compound treatment 6.7093 1.91 1.81 5.789 0.682 0.61 1.711 0.8955 3068075 PK04_094121 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G02 compound treatment 4.3479 -0.448 -0.42 4.6246 -0.482 -0.43 -0.6042 -1.0 3186524 PK04_094122 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G03 mock treatment 5.3219 0.526 0.5 5.0051 -0.102 -0.09 0.2878 0.5687 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G04 mock treatment 5.7191 0.923 0.87 5.1541 0.0472 0.04 0.6477 0.7403 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G05 compound treatment 9.7017 4.91 4.64 8.9764 3.87 3.45 5.7249 0.9893 3186575 PK04_094123 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G06 compound treatment 3.9433 -0.853 -0.81 4.5904 -0.517 -0.46 -0.8966 -0.9647 3186576 PK04_094124 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G07 compound treatment 4.7196 -0.0764 -0.07 6.0433 0.936 0.84 0.5396 0.6435 3068110 PK04_094125 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G08 compound treatment 5.1801 0.384 0.36 4.599 -0.508 -0.45 -0.0633 -0.1089 3186577 PK04_094126 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G09 compound treatment 3.8632 -0.933 -0.88 3.95 -1.16 -1.03 -1.3542 -0.997 3068111 PK04_094127 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G10 compound treatment 4.2784 -0.518 -0.49 5.6496 0.543 0.48 -0.004 -0.0058 3186578 PK04_094128 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G11 compound treatment 5.3092 0.513 0.49 5.154 0.0471 0.04 0.3732 0.7654 3186579 PK04_094129 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G12 compound treatment 5.5467 0.751 0.71 5.0556 -0.0513 -0.05 0.4701 0.6602 3068112 PK04_094130 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G13 compound treatment 5.1704 0.374 0.35 5.7161 0.609 0.54 0.6349 0.9786 3186580 PK04_094131 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCCN3CCOCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G14 compound treatment 9.6423 4.85 4.59 7.9061 2.8 2.5 5.0098 0.9591 3186581 PK04_094132 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G15 compound treatment 9.9039 5.11 4.84 8.9567 3.85 3.43 5.8477 0.986 3068113 PK04_094133 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G16 compound treatment 4.6181 -0.178 -0.17 4.5382 -0.569 -0.51 -0.4779 -0.8938 3186582 PK04_094134 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G17 compound treatment 5.3849 0.589 0.56 6.6607 1.55 1.39 1.3745 0.9199 3186583 PK04_094135 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G18 compound treatment 4.1168 -0.679 -0.64 4.6555 -0.451 -0.4 -0.7394 -0.9747 3068114 PK04_094136 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G19 mock treatment 4.6979 -0.098 -0.09 5.4839 0.377 0.34 0.1722 0.4936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G20 mock treatment 5.2627 0.467 0.44 5.3031 0.196 0.17 0.4362 0.9178 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G21 compound treatment 4.2787 -0.517 -0.49 3.893 -1.21 -1.08 -1.1121 -0.9356 3186584 PK04_094137 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G22 compound treatment 6.7716 1.98 1.87 7.1687 2.06 1.84 2.6231 1.0 3068115 PK04_094138 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G23 compound treatment 3.2998 -1.5 -1.42 3.2933 -1.81 -1.62 -2.1457 -0.9978 3186585 PK04_094139 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 G24 compound treatment 2.4508 -2.35 -2.22 2.8895 -2.22 -1.98 -2.9686 -0.9984 3186586 PK04_094140 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H01 compound treatment 4.7568 -0.0392 -0.04 4.5857 -0.521 -0.47 -0.3551 -0.761 3068116 PK04_094141 CCCN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H02 compound treatment 5.7723 0.976 0.92 7.0723 1.97 1.75 1.8935 0.9552 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H03 mock treatment 5.6173 0.821 0.78 7.3825 2.28 2.03 1.9854 0.9132 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H04 mock treatment 5.2673 0.471 0.45 5.713 0.606 0.54 0.6979 0.9954 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H05 compound treatment 6.9075 2.11 2.0 6.6572 1.55 1.38 2.3914 0.9838 3068117 PK04_094143 CCCN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H06 compound treatment 6.5949 1.8 1.7 6.6192 1.51 1.35 2.1582 0.9934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H07 compound treatment 3.7031 -1.09 -1.03 3.0721 -2.03 -1.82 -2.0153 -0.9644 3186589 PK04_094145 CN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H08 compound treatment 5.3265 0.531 0.5 6.406 1.3 1.16 1.1747 0.93 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H09 compound treatment 5.9463 1.15 1.09 5.8312 0.724 0.65 1.2269 0.9689 3186590 PK04_094147 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(C(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H10 compound treatment 4.1278 -0.668 -0.63 4.6404 -0.467 -0.42 -0.7416 -0.9794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H11 compound treatment 4.0944 -0.702 -0.66 4.2488 -0.858 -0.77 -1.011 -0.9975 3068119 PK04_094149 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H12 compound treatment 3.7853 -1.01 -0.96 4.55 -0.557 -0.5 -1.0278 -0.9534 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H13 compound treatment 4.0199 -0.776 -0.73 3.7795 -1.33 -1.18 -1.3569 -0.9736 3186593 PK04_094151 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H14 compound treatment 8.7373 3.94 3.73 9.3817 4.27 3.81 5.335 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H15 compound treatment 1.7043 -3.09 -2.93 1.7738 -3.33 -2.97 -4.1722 -1.0 3186594 PK04_094153 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H16 compound treatment 5.4738 0.678 0.64 6.9038 1.8 1.6 1.5874 0.9192 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H17 compound treatment 4.101 -0.695 -0.66 5.5481 0.441 0.39 -0.1869 -0.2438 3068121 PK04_094155 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(C(=O)c5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H18 compound treatment 3.4765 -1.32 -1.25 3.9719 -1.14 -1.01 -1.5992 -0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H19 mock treatment 3.8172 -0.979 -0.93 4.9783 -0.129 -0.11 -0.7362 -0.7887 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H20 mock treatment 4.4304 -0.366 -0.35 4.7926 -0.314 -0.28 -0.443 -0.9946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H21 compound treatment 3.3317 -1.46 -1.39 3.9696 -1.14 -1.01 -1.6976 -0.9882 3068122 PK04_094157 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H22 compound treatment 5.4118 0.616 0.58 5.301 0.194 0.17 0.5346 0.8791 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H23 compound treatment 2.3978 -2.4 -2.27 2.9668 -2.14 -1.91 -2.9553 -0.9963 3068123 PK04_094159 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 H24 compound treatment 6.7657 1.97 1.86 6.5767 1.47 1.31 2.2457 0.9852 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I01 compound treatment 3.3084 -1.49 -1.41 3.5662 -1.54 -1.37 -1.9677 -0.9999 3186651 PK04_094161 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I02 compound treatment 5.3283 0.532 0.5 5.1194 0.0124 0.01 0.3642 0.7225 3068124 PK04_094162 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I03 compound treatment 7.8893 3.09 2.93 8.8932 3.79 3.38 4.4592 0.9975 3186652 PK04_094163 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I04 compound treatment 3.9877 -0.808 -0.77 4.4276 -0.679 -0.61 -0.9696 -0.9933 3068125 PK04_094164 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I05 mock treatment 5.4024 0.606 0.57 4.9148 -0.192 -0.17 0.2847 0.4752 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I06 mock treatment 4.17 -0.626 -0.59 5.9302 0.823 0.73 0.1004 0.1064 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I07 compound treatment 3.9086 -0.887 -0.84 4.1267 -0.98 -0.87 -1.2124 -0.9998 3186653 PK04_094165 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I08 compound treatment 5.3838 0.588 0.56 5.3052 0.198 0.18 0.5185 0.8881 3068126 PK04_094166 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I09 compound treatment 5.4038 0.608 0.58 6.011 0.904 0.81 0.9772 0.9863 3186654 PK04_094167 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I10 compound treatment 4.287 -0.509 -0.48 4.1602 -0.947 -0.84 -0.9379 -0.9645 3068572 PK04_094168 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I11 compound treatment 8.02 3.22 3.05 8.5176 3.41 3.04 4.3097 1.0 3186655 PK04_094169 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I12 compound treatment 3.3496 -1.45 -1.37 3.413 -1.69 -1.51 -2.0367 -0.9988 3186656 PK04_094170 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I13 compound treatment 2.7177 -2.08 -1.97 3.4784 -1.63 -1.45 -2.4185 -0.9889 3068573 PK04_094171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I14 compound treatment 3.9064 -0.89 -0.84 5.2233 0.116 0.1 -0.522 -0.6153 3186657 PK04_094172 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I15 compound treatment 5.2908 0.495 0.47 6.9657 1.86 1.66 1.5039 0.8727 3068574 PK04_094173 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I16 compound treatment 3.4079 -1.39 -1.31 4.0137 -1.09 -0.98 -1.6188 -0.9892 3186658 PK04_094174 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I17 compound treatment 4.0714 -0.725 -0.69 3.004 -2.1 -1.88 -1.8117 -0.9069 3186659 PK04_094175 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I18 compound treatment 3.9785 -0.817 -0.77 3.6035 -1.5 -1.34 -1.4957 -0.9658 3068575 PK04_094176 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I19 compound treatment 6.1556 1.36 1.29 4.9129 -0.194 -0.17 0.7877 0.6065 3186660 PK04_094177 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I20 compound treatment 2.538 -2.26 -2.14 2.7527 -2.35 -2.1 -2.9966 -1.0 3068577 PK04_094178 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I21 mock treatment 4.184 -0.612 -0.58 5.4304 0.324 0.29 -0.2055 -0.3175 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I22 mock treatment 4.3961 -0.4 -0.38 5.5796 0.473 0.42 0.0306 0.0539 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I23 compound treatment 6.1915 1.4 1.32 6.5016 1.39 1.24 1.814 0.9996 3186661 PK04_094179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 I24 compound treatment 2.4193 -2.38 -2.25 2.4289 -2.68 -2.39 -3.2803 -0.9995 3186662 PK04_094180 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J01 compound treatment 1.9431 -2.85 -2.7 2.0411 -3.07 -2.74 -3.8438 -1.0 3068611 PK04_094181 CN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J02 compound treatment 9.0627 4.27 4.04 7.756 2.65 2.36 4.5272 0.9674 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J03 compound treatment 4.2447 -0.551 -0.52 4.0681 -1.04 -0.93 -1.0244 -0.9631 3068612 PK04_094183 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J04 compound treatment 7.3741 2.58 2.44 8.7153 3.61 3.22 4.0022 0.9907 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J05 mock treatment 6.4109 1.61 1.53 6.1219 1.01 0.91 1.7213 0.9688 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J06 mock treatment 5.1366 0.341 0.32 5.2949 0.188 0.17 0.3466 0.9536 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J07 compound treatment 2.2988 -2.5 -2.36 2.4048 -2.7 -2.41 -3.3762 -1.0 3186665 PK04_094185 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J08 compound treatment 7.1976 2.4 2.27 8.1511 3.04 2.72 3.5281 0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J09 compound treatment 2.6626 -2.13 -2.02 2.7511 -2.36 -2.1 -2.9142 -0.9998 3186666 PK04_094187 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J10 compound treatment 5.8243 1.03 0.97 5.7265 0.62 0.55 1.0792 0.9641 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J11 compound treatment 4.9083 0.112 0.11 4.8938 -0.213 -0.19 -0.0593 -0.2721 3068615 PK04_094189 CCCN1C(=O)[C@]2(COC(=N2)c3ccc(OCCCO)cc3)Cc4ccccc14 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J12 compound treatment 8.263 3.47 3.28 7.6639 2.56 2.28 3.9338 0.9842 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J13 compound treatment 7.5487 2.75 2.61 8.1244 3.02 2.69 3.7462 0.9999 3068616 PK04_094191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J14 compound treatment 7.3825 2.59 2.45 8.0863 2.98 2.66 3.6109 0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J15 compound treatment 2.5688 -2.23 -2.11 2.0939 -3.01 -2.69 -3.3916 -0.9928 3068617 PK04_094193 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J16 compound treatment 6.5177 1.72 1.63 6.7603 1.65 1.48 2.1955 0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J17 compound treatment 4.7412 -0.0548 -0.05 4.627 -0.48 -0.43 -0.3395 -0.7869 3186732 PK04_094195 CN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J18 compound treatment 9.0928 4.3 4.07 9.4934 4.39 3.91 5.6434 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J19 compound treatment 4.1522 -0.644 -0.61 3.6503 -1.46 -1.3 -1.3499 -0.9404 3186733 PK04_094197 CCCN1C(=O)[C@@]2(Cc3ccccc13)N=C(O[C@H]2c4ccccc4)c5ccc(OCCCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J20 compound treatment 4.2581 -0.538 -0.51 5.5593 0.452 0.4 -0.0746 -0.1148 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J21 mock treatment 7.6011 2.81 2.66 7.0269 1.92 1.71 3.0889 0.9775 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J22 mock treatment 4.8265 0.0305 0.03 5.0237 -0.0832 -0.07 -0.0321 -0.4023 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J23 compound treatment 7.1137 2.32 2.19 6.3806 1.27 1.14 2.3549 0.9531 3068619 PK04_094199 COC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 J24 compound treatment 4.3428 -0.453 -0.43 4.0359 -1.07 -0.96 -0.979 -0.9347 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K01 compound treatment 2.0765 -2.72 -2.57 2.0858 -3.02 -2.7 -3.7262 -0.9997 3068620 PK04_094201 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K02 compound treatment 4.209 -0.587 -0.56 4.0163 -1.09 -0.97 -1.081 -0.9647 3186736 PK04_094202 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K03 compound treatment 4.6887 -0.107 -0.1 3.9794 -1.13 -1.01 -0.7831 -0.7745 3186737 PK04_094203 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K04 compound treatment 5.1497 0.354 0.33 4.5424 -0.565 -0.5 -0.1194 -0.1973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K05 compound treatment 4.5233 -0.273 -0.26 4.6626 -0.444 -0.4 -0.4628 -0.9784 3186738 PK04_094205 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K06 compound treatment 3.1197 -1.68 -1.59 3.9474 -1.16 -1.03 -1.8535 -0.9785 3068661 PK04_094206 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K07 mock treatment 4.6714 -0.125 -0.12 5.2568 0.15 0.13 0.0112 0.063 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K08 mock treatment 4.7161 -0.0798 -0.08 5.0172 -0.0897 -0.08 -0.11 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K09 compound treatment 3.3146 -1.48 -1.4 3.5831 -1.52 -1.36 -1.9528 -0.9999 3186739 PK04_094207 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K10 compound treatment 4.7818 -0.0141 -0.01 4.6943 -0.413 -0.37 -0.2697 -0.7323 3186740 PK04_094208 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K11 compound treatment 2.2307 -2.57 -2.43 1.9811 -3.13 -2.79 -3.6891 -0.9976 3068664 PK04_094209 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K12 compound treatment 4.392 -0.404 -0.38 3.9675 -1.14 -1.02 -0.9892 -0.9108 3186741 PK04_094210 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K13 compound treatment 5.5278 0.732 0.69 4.9664 -0.141 -0.13 0.4012 0.5699 3068666 PK04_094211 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K14 compound treatment 2.2569 -2.54 -2.4 2.956 -2.15 -1.92 -3.0565 -0.9938 3186742 PK04_094212 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K15 mock treatment 4.2802 -0.516 -0.49 4.5452 -0.562 -0.5 -0.6996 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K16 mock treatment 4.9737 0.178 0.17 5.8659 0.759 0.68 0.5978 0.8568 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K17 compound treatment 5.2621 0.466 0.44 6.1692 1.06 0.95 0.9822 0.9395 3186743 PK04_094213 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K18 compound treatment 3.8465 -0.949 -0.9 3.9931 -1.11 -0.99 -1.3381 -0.9987 3068667 PK04_094214 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K19 compound treatment 6.4967 1.7 1.61 6.0109 0.904 0.81 1.7087 0.9489 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K20 compound treatment 3.5025 -1.29 -1.22 4.1022 -1.0 -0.9 -1.4997 -0.9883 3186745 PK04_094216 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K21 compound treatment 3.6711 -1.12 -1.06 4.3896 -0.717 -0.64 -1.2055 -0.9703 3068668 PK04_094217 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K22 compound treatment 3.8633 -0.933 -0.88 3.6137 -1.49 -1.33 -1.5663 -0.98 3186746 PK04_094218 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K23 mock treatment 5.1272 0.331 0.31 4.7069 -0.4 -0.36 -0.0306 -0.0645 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 K24 mock treatment 5.5864 0.79 0.75 4.9223 -0.185 -0.16 0.4126 0.5386 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L01 compound treatment 6.0373 1.24 1.18 5.9552 0.848 0.76 1.366 0.9774 3068669 PK04_094219 CCOC(=O)N1C(N=C(N1C(=O)OCC)c2ccc(OCCCO)cc2)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L02 compound treatment 4.2464 -0.55 -0.52 4.5584 -0.549 -0.49 -0.7139 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L03 compound treatment 7.4737 2.68 2.53 7.0473 1.94 1.73 3.0165 0.9827 3068670 PK04_094221 COCCCNC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L04 compound treatment 5.5099 0.714 0.68 6.1848 1.08 0.96 1.1579 0.9851 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L05 compound treatment 7.0643 2.27 2.15 6.0207 0.914 0.82 2.0948 0.912 3186813 PK04_094223 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L06 compound treatment 5.8743 1.08 1.02 5.8503 0.743 0.66 1.1908 0.9782 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L07 mock treatment 5.4317 0.636 0.6 5.1897 0.0828 0.07 0.4778 0.788 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L08 mock treatment 4.9927 0.197 0.19 5.2191 0.112 0.1 0.2024 0.9575 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L09 compound treatment 6.7976 2.0 1.89 6.6095 1.5 1.34 2.2877 0.9856 3067926 PK04_094225 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L10 compound treatment 5.2813 0.485 0.46 5.8947 0.788 0.7 0.8218 0.9788 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L11 compound treatment 5.9195 1.12 1.06 6.6064 1.5 1.34 1.698 0.9935 3186815 PK04_094227 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L12 compound treatment 4.3672 -0.429 -0.41 5.2007 0.0938 0.08 -0.2278 -0.5498 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L13 compound treatment 7.7044 2.91 2.75 7.1581 2.05 1.83 3.2408 0.9803 3067927 PK04_094229 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L14 compound treatment 5.0547 0.259 0.24 5.4325 0.326 0.29 0.3786 0.9964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L15 mock treatment 5.1686 0.373 0.35 5.0356 -0.0714 -0.06 0.2044 0.5702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L16 mock treatment 5.3795 0.584 0.55 5.4658 0.359 0.32 0.617 0.9663 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L17 compound treatment 6.9495 2.15 2.04 7.0814 1.97 1.76 2.6872 0.9974 3067928 PK04_094231 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L18 compound treatment 5.7426 0.947 0.9 6.252 1.15 1.02 1.3561 0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L19 compound treatment 9.2374 4.44 4.2 7.2187 2.11 1.88 4.3051 0.9344 3067929 PK04_094233 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L20 compound treatment 5.6125 0.817 0.77 5.3843 0.277 0.25 0.7215 0.8891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L21 compound treatment 7.7099 2.91 2.76 5.8052 0.698 0.62 2.391 0.8455 3067930 PK04_094235 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L22 compound treatment 6.1257 1.33 1.26 5.5478 0.441 0.39 1.1682 0.8858 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L23 mock treatment 7.7202 2.92 2.77 7.0306 1.92 1.72 3.1709 0.9736 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 L24 mock treatment 4.0382 -0.758 -0.72 4.6995 -0.407 -0.36 -0.7642 -0.9504 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M01 compound treatment 2.0382 -2.76 -2.61 2.2189 -2.89 -2.58 -3.6679 -1.0 3067931 PK04_094237 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M02 compound treatment 6.7524 1.96 1.85 6.6131 1.51 1.34 2.2597 0.9876 3186821 PK04_094238 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M03 compound treatment 1.6645 -3.13 -2.96 2.2401 -2.87 -2.56 -3.9046 -0.9973 3067933 PK04_094239 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M04 compound treatment 4.457 -0.339 -0.32 4.2251 -0.882 -0.79 -0.7832 -0.9218 3186822 PK04_094240 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCCN3CCOCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M05 compound treatment 4.2613 -0.535 -0.51 4.3346 -0.772 -0.69 -0.8451 -0.9885 3067934 PK04_094241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M06 compound treatment 10.927 6.13 5.8 8.5099 3.4 3.04 6.2506 0.9543 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M07 compound treatment 5.0604 0.264 0.25 5.3582 0.251 0.22 0.3356 0.9985 3186824 PK04_094243 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M08 compound treatment 4.8357 0.0398 0.04 4.2472 -0.86 -0.77 -0.5157 -0.6716 3186825 PK04_094244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M09 mock treatment 5.578 0.782 0.74 5.7824 0.675 0.6 0.9496 0.9948 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M10 mock treatment 5.2993 0.503 0.48 4.3517 -0.755 -0.67 -0.1395 -0.1691 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M11 compound treatment 2.1011 -2.69 -2.55 1.7709 -3.34 -2.98 -3.9084 -0.9971 3067981 PK04_094245 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M12 compound treatment 4.0642 -0.732 -0.69 5.2038 0.0968 0.09 -0.4287 -0.6142 3186826 PK04_094246 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M13 mock treatment 4.9818 0.186 0.18 5.2286 0.122 0.11 0.2012 0.9731 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M14 mock treatment 4.5674 -0.229 -0.22 5.2096 0.103 0.09 -0.0882 -0.3754 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M15 compound treatment 3.9268 -0.869 -0.82 3.8698 -1.24 -1.1 -1.3622 -0.9895 3067982 PK04_094247 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M16 compound treatment 3.1415 -1.65 -1.57 3.162 -1.94 -1.74 -2.3344 -0.9987 3186827 PK04_094248 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M17 compound treatment 4.9673 0.171 0.16 4.4402 -0.667 -0.59 -0.3059 -0.4962 3067983 PK04_094249 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M18 compound treatment 6.2405 1.44 1.37 6.0506 0.944 0.84 1.5623 0.9729 3186828 PK04_094250 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M19 compound treatment 2.5446 -2.25 -2.13 3.3164 -1.79 -1.6 -2.6365 -0.9899 3186829 PK04_094251 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M20 compound treatment 5.9276 1.13 1.07 4.5039 -0.603 -0.54 0.377 0.3145 3067984 PK04_094252 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M21 compound treatment 3.6409 -1.16 -1.09 3.6695 -1.44 -1.28 -1.68 -0.9968 3186907 PK04_094253 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M22 compound treatment 4.1835 -0.612 -0.58 4.1276 -0.979 -0.87 -1.0278 -0.9801 3067985 PK04_094254 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M23 compound treatment 4.1367 -0.659 -0.62 3.2443 -1.86 -1.66 -1.6164 -0.9106 3186908 PK04_094255 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 M24 compound treatment 3.923 -0.873 -0.83 3.8733 -1.23 -1.1 -1.3626 -0.99 3186909 PK04_094256 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N01 compound treatment 7.7219 2.93 2.77 5.6045 0.498 0.44 2.2723 0.8101 3067986 PK04_094257 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N02 compound treatment 5.2088 0.413 0.39 5.0624 -0.0446 -0.04 0.2482 0.6319 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N03 compound treatment 9.3384 4.54 4.3 7.9709 2.86 2.56 4.8473 0.9691 3067987 PK04_094259 CN(C)C(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N04 compound treatment 4.2708 -0.525 -0.5 4.0045 -1.1 -0.98 -1.047 -0.95 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N05 compound treatment 9.3461 4.55 4.31 8.278 3.17 2.83 5.0462 0.9792 3414052 PK04_094261 COC(=O)[C@@H]1N=C(O[C@@H]1C)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N06 compound treatment 4.8199 0.024 0.02 4.9055 -0.201 -0.18 -0.111 -0.6128 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N07 compound treatment 4.137 -0.659 -0.62 4.1221 -0.985 -0.88 -1.0624 -0.9859 3186913 PK04_094263 OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N08 compound treatment 4.1492 -0.647 -0.61 5.063 -0.0439 -0.04 -0.4606 -0.7508 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N09 mock treatment 4.5892 -0.207 -0.2 5.584 0.477 0.43 0.1626 0.347 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N10 mock treatment 4.3587 -0.437 -0.41 5.0021 -0.105 -0.09 -0.3588 -0.8456 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N11 compound treatment 1.7997 -3.0 -2.84 1.9903 -3.12 -2.78 -3.9718 -1.0 3068027 PK04_094265 CC(=O)OC[C@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N12 compound treatment 4.4165 -0.379 -0.36 4.437 -0.67 -0.6 -0.6766 -0.9703 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N13 mock treatment 5.6815 0.886 0.84 5.507 0.4 0.36 0.8451 0.9276 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N14 mock treatment 5.0756 0.28 0.26 5.462 0.355 0.32 0.4112 0.996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N15 compound treatment 5.5425 0.747 0.71 6.5133 1.41 1.25 1.387 0.9631 3068028 PK04_094267 CC(=O)OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N16 compound treatment 6.395 1.6 1.51 6.0924 0.985 0.88 1.692 0.9666 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N17 compound treatment 5.4922 0.696 0.66 6.8086 1.7 1.52 1.5396 0.9302 3068029 PK04_094269 CC(=O)OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N18 compound treatment 4.9389 0.143 0.14 4.5156 -0.591 -0.53 -0.2774 -0.5093 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N19 compound treatment 5.3724 0.576 0.55 4.9668 -0.14 -0.13 0.2974 0.5313 3068030 PK04_094271 OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N20 compound treatment 4.7638 -0.0321 -0.03 5.374 0.267 0.24 0.147 0.612 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N21 compound treatment 3.3667 -1.43 -1.35 3.6268 -1.48 -1.32 -1.8904 -0.9999 3068031 PK04_094273 CC(=O)OC[C@@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N22 compound treatment 5.7116 0.916 0.87 5.3643 0.257 0.23 0.7753 0.8646 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N23 compound treatment 3.5069 -1.29 -1.22 4.0923 -1.01 -0.91 -1.5029 -0.9892 3186917 PK04_094275 CC(=O)OC[C@H](C=C)N(Cc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 N24 compound treatment 3.9349 -0.861 -0.82 3.6326 -1.47 -1.32 -1.5065 -0.9735 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O01 compound treatment 4.0109 -0.785 -0.74 3.4902 -1.62 -1.44 -1.5454 -0.9524 3068032 PK04_094277 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O02 compound treatment 2.8261 -1.97 -1.86 3.2217 -1.89 -1.68 -2.5079 -0.9987 3186919 PK04_094278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O03 compound treatment 5.3813 0.585 0.55 4.0897 -1.02 -0.91 -0.25 -0.2351 3068033 PK04_094279 NC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O04 compound treatment 2.986 -1.81 -1.71 2.7729 -2.33 -2.08 -2.684 -0.9953 3186920 PK04_094280 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O05 compound treatment 1.6032 -3.19 -3.02 1.7272 -3.38 -3.02 -4.2693 -1.0 3068035 PK04_094281 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O06 compound treatment 4.5007 -0.295 -0.28 3.951 -1.16 -1.03 -0.9269 -0.8674 3186921 PK04_094282 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O07 compound treatment 2.9918 -1.8 -1.71 2.8276 -2.28 -2.03 -2.6456 -0.9962 3186922 PK04_094283 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O08 compound treatment 4.2784 -0.518 -0.49 4.5497 -0.557 -0.5 -0.698 -1.0 3068037 PK04_094284 CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O09 compound treatment 3.6973 -1.1 -1.04 4.0206 -1.09 -0.97 -1.4207 -0.9994 3186923 PK04_094285 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O10 compound treatment 2.6766 -2.12 -2.01 2.4338 -2.67 -2.38 -3.105 -0.9963 3068038 PK04_094286 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O11 mock treatment 3.9741 -0.822 -0.78 4.4796 -0.627 -0.56 -0.9459 -0.987 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O12 mock treatment 3.437 -1.36 -1.29 4.0931 -1.01 -0.9 -1.5492 -0.9851 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O13 compound treatment 2.5577 -2.24 -2.12 3.3039 -1.8 -1.61 -2.6356 -0.9908 3186924 PK04_094287 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O14 compound treatment 3.6136 -1.18 -1.12 3.0816 -2.03 -1.81 -2.0691 -0.9735 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O15 compound treatment 7.2899 2.49 2.36 7.3109 2.2 1.97 3.0598 0.9959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O16 compound treatment 4.2936 -0.502 -0.48 3.5214 -1.59 -1.41 -1.3365 -0.8955 3068077 PK04_094290 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O17 compound treatment 3.1053 -1.69 -1.6 2.9939 -2.11 -1.89 -2.4647 -0.9967 3187014 PK04_094291 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O18 compound treatment 1.8485 -2.95 -2.79 2.0112 -3.1 -2.76 -3.9259 -1.0 3187015 PK04_094292 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O19 compound treatment 6.1249 1.33 1.26 4.8157 -0.291 -0.26 0.7058 0.5495 3068081 PK04_094293 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O20 compound treatment 1.6743 -3.12 -2.95 1.8698 -3.24 -2.89 -4.1317 -0.9999 3187016 PK04_094294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O21 compound treatment 4.3033 -0.493 -0.47 3.6784 -1.43 -1.27 -1.231 -0.907 3187017 PK04_094295 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O22 compound treatment 4.2978 -0.498 -0.47 3.7212 -1.39 -1.24 -1.2077 -0.9127 3068083 PK04_094296 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O23 compound treatment 1.3221 -3.47 -3.29 1.5046 -3.6 -3.21 -4.5978 -0.9999 3187018 PK04_094297 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 O24 compound treatment 3.1966 -1.6 -1.51 2.7488 -2.36 -2.1 -2.5582 -0.987 3068084 PK04_094298 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P01 compound treatment 2.277 -2.52 -2.38 2.8 -2.31 -2.06 -3.1415 -0.9973 3187019 PK04_094299 CC(=O)OC[C@H](C=C)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P02 compound treatment 4.6117 -0.184 -0.17 4.962 -0.145 -0.13 -0.2148 -0.9892 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P03 compound treatment 1.6366 -3.16 -2.99 1.8301 -3.28 -2.92 -4.182 -0.9999 3068086 PK04_094301 COc1ccc(CN([C@H](CO)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P04 compound treatment 3.5641 -1.23 -1.17 3.8908 -1.22 -1.09 -1.5917 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P05 compound treatment 1.9632 -2.83 -2.68 2.6359 -2.47 -2.2 -3.455 -0.9953 3068087 PK04_094303 COc1cc(CN([C@@H](COC(=O)C)C=C)S(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P06 compound treatment 3.7717 -1.02 -0.97 3.6017 -1.51 -1.34 -1.6352 -0.9872 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P07 compound treatment 3.595 -1.2 -1.14 3.3553 -1.75 -1.56 -1.9089 -0.9878 3068088 PK04_094305 OCCCNS(=O)(=O)c1ccc(Br)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P08 compound treatment 3.7541 -1.04 -0.99 4.5713 -0.536 -0.48 -1.0353 -0.9447 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P09 compound treatment 3.2296 -1.57 -1.48 2.8364 -2.27 -2.03 -2.4809 -0.9882 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P10 compound treatment 5.1624 0.366 0.35 5.0746 -0.0323 -0.03 0.2249 0.6461 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P11 mock treatment 4.2147 -0.581 -0.55 4.7914 -0.316 -0.28 -0.5882 -0.9516 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P12 mock treatment 4.1716 -0.624 -0.59 4.9989 -0.108 -0.1 -0.4861 -0.8117 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P13 compound treatment 4.3231 -0.473 -0.45 4.2658 -0.841 -0.75 -0.8471 -0.9695 3068090 PK04_094309 COc1cc(CO)ccc1OC(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P14 compound treatment 3.3148 -1.48 -1.4 3.9513 -1.16 -1.03 -1.7205 -0.9886 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P15 compound treatment 4.7521 -0.0438 -0.04 3.5827 -1.52 -1.36 -0.991 -0.7283 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P16 compound treatment 3.7006 -1.1 -1.04 4.464 -0.643 -0.57 -1.1387 -0.961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P17 compound treatment 4.1121 -0.684 -0.65 3.5809 -1.53 -1.36 -1.4205 -0.9422 3068092 PK04_094313 CC(C)(C)OC(=O)N1[C@H](COC1(C)C)C=C(Br)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P18 compound treatment 3.9959 -0.8 -0.76 3.5616 -1.55 -1.38 -1.5104 -0.9602 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P19 compound treatment 4.2916 -0.504 -0.48 4.9398 -0.167 -0.15 -0.443 -0.8858 1003211 PK04_094315 CNS(=O)(=O)c1ccc(C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P20 compound treatment 3.3929 -1.4 -1.33 4.0281 -1.08 -0.96 -1.6197 -0.9875 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P21 compound treatment 4.4369 -0.359 -0.34 4.408 -0.699 -0.62 -0.6813 -0.9593 3068127 PK04_094317 COc1cc(COC(=O)C)ccc1OC(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P22 compound treatment 4.8963 0.1 0.1 4.5466 -0.56 -0.5 -0.2863 -0.5626 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P23 compound treatment 3.5609 -1.24 -1.17 3.5048 -1.6 -1.43 -1.8374 -0.995 3068129 PK04_094319 OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2094 P24 compound treatment 3.5005 -1.3 -1.23 3.2962 -1.81 -1.62 -2.0094 -0.9907 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A01 compound treatment 4.5144 -0.482 -0.46 4.8063 -0.336 -0.3 -0.5343 -0.9791 3067957 PK04_095001 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A02 compound treatment 3.1459 -1.85 -1.75 4.6193 -0.523 -0.47 -1.5683 -0.8652 3187176 PK04_095002 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A03 compound treatment 3.5757 -1.42 -1.34 4.553 -0.589 -0.53 -1.3224 -0.9159 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A04 compound treatment 2.0376 -2.96 -2.8 2.4866 -2.66 -2.37 -3.6557 -0.9965 3187436 PK04_095004 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A05 compound treatment 3.8299 -1.17 -1.1 3.7726 -1.37 -1.22 -1.6447 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A06 compound treatment 3.2613 -1.74 -1.64 3.444 -1.7 -1.51 -2.2326 -0.9992 3187069 PK04_095006 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A07 compound treatment 4.6083 -0.388 -0.37 5.6431 0.501 0.45 0.0565 0.0976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A08 compound treatment 4.6671 -0.329 -0.31 5.3458 0.204 0.18 -0.0918 -0.2543 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A09 compound treatment 4.674 -0.322 -0.31 4.2744 -0.867 -0.77 -0.7631 -0.9172 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A10 compound treatment 4.3582 -0.638 -0.6 5.0105 -0.131 -0.12 -0.5101 -0.8288 3068592 PK04_095010 CCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A11 compound treatment 3.5546 -1.44 -1.36 2.8384 -2.3 -2.06 -2.4183 -0.9802 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A12 compound treatment 3.5233 -1.47 -1.39 3.4902 -1.65 -1.47 -2.028 -0.9996 3187344 PK04_095012 COCCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A13 mock treatment 5.0478 0.0514 0.05 5.1514 0.00956 0.01 0.0404 0.8186 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A14 mock treatment 4.587 -0.409 -0.39 4.7054 -0.436 -0.39 -0.5494 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A15 compound treatment 3.7681 -1.23 -1.16 3.159 -1.98 -1.77 -2.0731 -0.9793 3186552 PK04_095013 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A16 compound treatment 3.9707 -1.03 -0.97 4.2576 -0.884 -0.79 -1.2444 -0.9947 3187439 PK04_095014 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A17 compound treatment 5.4452 0.449 0.42 4.8279 -0.314 -0.28 0.1023 0.201 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A18 compound treatment 5.1011 0.105 0.1 4.859 -0.283 -0.25 -0.1084 -0.3999 3187272 PK04_095016 COCCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A19 compound treatment 5.9228 0.926 0.88 5.3313 0.189 0.17 0.7396 0.8282 3187508 PK04_095017 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NC3CC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A20 compound treatment 6.0337 1.04 0.98 5.5957 0.454 0.4 0.9806 0.9233 3186432 PK04_095018 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A21 compound treatment 4.3666 -0.63 -0.6 3.2474 -1.89 -1.69 -1.6167 -0.902 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A22 compound treatment 3.4812 -1.52 -1.43 4.0738 -1.07 -0.95 -1.688 -0.9803 3068651 PK04_095020 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A23 compound treatment 6.0097 1.01 0.96 4.5223 -0.62 -0.55 0.2874 0.2596 3187585 PK04_095021 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 A24 compound treatment 3.7425 -1.25 -1.19 3.859 -1.28 -1.14 -1.6486 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B01 compound treatment 3.8393 -1.16 -1.1 4.38 -0.762 -0.68 -1.2551 -0.9737 3187519 PK04_095023 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B02 compound treatment 4.4821 -0.514 -0.49 5.575 0.433 0.39 -0.0709 -0.1141 3186885 PK04_095024 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B03 compound treatment 4.3646 -0.632 -0.6 5.2564 0.115 0.1 -0.3507 -0.5779 3187435 PK04_095025 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B04 compound treatment 2.953 -2.04 -1.93 3.1617 -1.98 -1.77 -2.617 -0.999 3186491 PK04_095026 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B05 compound treatment 5.5119 0.516 0.49 4.5298 -0.612 -0.55 -0.0411 -0.0561 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B06 compound treatment 2.7018 -2.29 -2.17 2.8211 -2.32 -2.07 -3.0 -0.9997 3186559 PK04_095028 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B07 compound treatment 3.2015 -1.79 -1.7 3.2288 -1.91 -1.71 -2.4083 -1.0 3068561 PK04_095029 CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B08 compound treatment 4.5501 -0.446 -0.42 4.4397 -0.702 -0.63 -0.7418 -0.9816 3068322 PK04_095030 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B09 compound treatment 5.2837 0.287 0.27 5.0323 -0.11 -0.1 0.1232 0.4262 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B10 compound treatment 4.4293 -0.567 -0.54 4.6043 -0.538 -0.48 -0.7187 -0.9984 3068145 PK04_095032 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(F)(F)F)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B11 compound treatment 5.4053 0.409 0.39 4.7333 -0.409 -0.36 0.0159 0.0299 3187265 PK04_095033 CC(C)N1[C@H]([C@H](C(=O)NCCCN(C)C)c2ccccc2C1=O)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B12 compound treatment 4.7272 -0.269 -0.25 4.9283 -0.214 -0.19 -0.315 -0.9897 3186629 PK04_095034 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B13 mock treatment 5.0303 0.0339 0.03 6.1188 0.977 0.87 0.6391 0.7327 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B14 mock treatment 4.5556 -0.441 -0.42 4.8246 -0.317 -0.28 -0.4952 -0.9821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B15 compound treatment 4.844 -0.152 -0.14 4.7719 -0.37 -0.33 -0.3354 -0.9311 3187269 PK04_095035 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3CCCCC3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B16 compound treatment 2.3635 -2.63 -2.49 2.6443 -2.5 -2.23 -3.338 -0.9984 3186887 PK04_095036 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B17 compound treatment 4.7201 -0.276 -0.26 3.6294 -1.51 -1.35 -1.1391 -0.8287 3068417 PK04_095037 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B18 compound treatment 4.7395 -0.257 -0.24 5.3181 0.176 0.16 -0.0608 -0.2099 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B19 compound treatment 2.2923 -2.7 -2.56 2.5949 -2.55 -2.27 -3.4169 -0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B20 compound treatment 4.3611 -0.635 -0.6 4.3624 -0.779 -0.7 -0.917 -0.9974 3068006 PK04_095040 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B21 compound treatment 4.7675 -0.229 -0.22 5.5448 0.403 0.36 0.101 0.2406 3068601 PK04_095041 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCc4ccccc4)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B22 compound treatment 4.799 -0.197 -0.19 4.9771 -0.165 -0.15 -0.2361 -0.9929 3068203 PK04_095042 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5Cl)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B23 compound treatment 5.3287 0.332 0.31 4.8967 -0.245 -0.22 0.0677 0.1768 3187355 PK04_095043 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCC(F)(F)F)c4ccccc4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 B24 compound treatment 4.9845 -0.0119 -0.01 5.4276 0.286 0.25 0.1723 0.6752 3068156 PK04_095044 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C01 compound treatment 4.8424 -0.154 -0.15 5.0462 -0.0957 -0.09 -0.1634 -0.9675 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C02 compound treatment 5.2435 0.247 0.23 6.1826 1.04 0.93 0.822 0.8584 3187180 PK04_095046 CC(C)NC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C03 compound treatment 2.1875 -2.81 -2.66 1.7432 -3.4 -3.03 -4.0242 -0.9979 3186493 PK04_095047 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C04 compound treatment 3.3412 -1.66 -1.57 3.0298 -2.11 -1.88 -2.4404 -0.9958 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C05 compound treatment 3.0915 -1.9 -1.8 2.9014 -2.24 -2.0 -2.6885 -0.9987 3187172 PK04_095049 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C06 compound treatment 4.2587 -0.738 -0.7 3.9347 -1.21 -1.08 -1.2553 -0.978 3187080 PK04_095050 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C07 compound treatment 4.703 -0.293 -0.28 4.6547 -0.487 -0.43 -0.5038 -0.9766 3186988 PK04_095051 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C08 compound treatment 5.1159 0.12 0.11 5.1888 0.047 0.04 0.1096 0.9087 3068011 PK04_095052 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C09 compound treatment 4.25 -0.746 -0.71 4.0532 -1.09 -0.97 -1.1865 -0.9878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C10 compound treatment 3.3577 -1.64 -1.55 3.5996 -1.54 -1.38 -2.0698 -0.9982 3186550 PK04_095054 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C11 mock treatment 4.3637 -0.633 -0.6 4.3505 -0.791 -0.71 -0.9228 -0.9966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C12 mock treatment 4.4524 -0.544 -0.51 5.0135 -0.128 -0.11 -0.4451 -0.8437 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C13 compound treatment 1.9547 -3.04 -2.88 2.2019 -2.94 -2.62 -3.8907 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C14 compound treatment 2.9628 -2.03 -1.93 3.1593 -1.98 -1.77 -2.612 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C15 mock treatment 4.396 -0.6 -0.57 4.6481 -0.494 -0.44 -0.7134 -0.9921 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C16 mock treatment 4.8811 -0.115 -0.11 4.8227 -0.319 -0.28 -0.2785 -0.9134 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C17 compound treatment 5.2139 0.217 0.21 4.8506 -0.291 -0.26 -0.0382 -0.1153 3067969 PK04_095057 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCCN(C)C)c3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C18 compound treatment 1.7968 -3.2 -3.03 1.6652 -3.48 -3.1 -4.335 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C19 compound treatment 3.3285 -1.67 -1.58 3.8028 -1.34 -1.19 -1.9612 -0.9905 3187087 PK04_095059 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C20 compound treatment 4.518 -0.478 -0.45 4.2042 -0.938 -0.84 -0.9118 -0.9585 3187443 PK04_095060 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C21 compound treatment 4.2492 -0.747 -0.71 3.9241 -1.22 -1.09 -1.2685 -0.9784 3067571 PK04_095061 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C22 compound treatment 4.9441 -0.0524 -0.05 4.7105 -0.431 -0.38 -0.3072 -0.7916 3187181 PK04_095062 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C23 compound treatment 4.0548 -0.942 -0.89 3.9304 -1.21 -1.08 -1.3946 -0.9954 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 C24 compound treatment 4.8079 -0.188 -0.18 3.7298 -1.41 -1.26 -1.017 -0.7993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D01 compound treatment 3.5884 -1.41 -1.33 3.6365 -1.51 -1.34 -1.8922 -1.0 3068587 PK04_095065 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(CC3(CC4CC5CC(C4)C3)C5)C(=O)c6ccccc26)c7ccc(CO)cc7)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D02 compound treatment 4.8366 -0.16 -0.15 4.7946 -0.347 -0.31 -0.3261 -0.9457 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D03 compound treatment 4.5911 -0.405 -0.38 4.1136 -1.03 -0.92 -0.92 -0.9252 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D04 compound treatment 5.0 0.00357 0.0 5.3008 0.159 0.14 0.1027 0.7238 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D05 compound treatment 5.5508 0.554 0.52 5.1537 0.0119 0.01 0.3786 0.7213 3187179 PK04_095069 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(=O)c3ccccc23)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D06 compound treatment 4.5312 -0.465 -0.44 5.3771 0.235 0.21 -0.163 -0.3341 3187522 PK04_095070 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D07 compound treatment 5.2166 0.22 0.21 5.786 0.644 0.57 0.5538 0.9058 3068515 PK04_095071 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D08 compound treatment 4.6119 -0.385 -0.36 4.4072 -0.735 -0.66 -0.7208 -0.9615 3186872 PK04_095072 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D09 compound treatment 3.1205 -1.88 -1.78 3.2397 -1.9 -1.7 -2.4557 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D10 compound treatment 5.0711 0.0747 0.07 4.6086 -0.533 -0.48 -0.2865 -0.5955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D11 mock treatment 5.1693 0.173 0.16 4.5242 -0.618 -0.55 -0.2739 -0.4766 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D12 mock treatment 5.0484 0.052 0.05 3.9488 -1.19 -1.06 -0.7179 -0.6737 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D13 compound treatment 4.5268 -0.47 -0.44 4.7548 -0.387 -0.35 -0.5585 -0.9922 3067964 PK04_095075 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D14 compound treatment 4.5231 -0.473 -0.45 5.1466 0.0048 0.0 -0.3138 -0.7003 3068230 PK04_095076 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D15 mock treatment 4.905 -0.0914 -0.09 4.3634 -0.778 -0.69 -0.5523 -0.7891 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D16 mock treatment 4.12 -0.876 -0.83 4.9917 -0.15 -0.13 -0.6813 -0.8108 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D17 compound treatment 4.3434 -0.653 -0.62 4.1983 -0.944 -0.84 -1.0323 -0.9885 3068595 PK04_095077 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCc3ccccc3)c4ccccc4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D18 compound treatment 2.5251 -2.47 -2.34 2.9301 -2.21 -1.97 -3.0495 -0.9964 3186982 PK04_095078 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D19 compound treatment 4.5794 -0.417 -0.39 4.5719 -0.57 -0.51 -0.6387 -0.9922 3187440 PK04_095079 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D20 compound treatment 3.6936 -1.3 -1.23 3.7268 -1.42 -1.26 -1.7647 -0.9999 3068415 PK04_095080 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D21 compound treatment 4.3257 -0.671 -0.63 5.4909 0.349 0.31 -0.2288 -0.3235 3068596 PK04_095081 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCC(F)(F)F)c3ccccc3C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D22 compound treatment 4.5689 -0.428 -0.4 4.0117 -1.13 -1.01 -0.9992 -0.9196 3186713 PK04_095082 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D23 compound treatment 2.144 -2.85 -2.7 2.6439 -2.5 -2.23 -3.4851 -0.9955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 D24 compound treatment 3.908 -1.09 -1.03 4.7534 -0.388 -0.35 -0.9736 -0.8957 3068270 PK04_095084 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCCN6CCOCC6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E01 mock treatment 5.129 0.133 0.13 5.0686 -0.0732 -0.07 0.0425 0.3007 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E02 mock treatment 4.721 -0.275 -0.26 5.0248 -0.117 -0.1 -0.2582 -0.9193 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E03 compound treatment 4.1205 -0.876 -0.83 4.4104 -0.731 -0.65 -1.0478 -0.993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E04 compound treatment 3.4553 -1.54 -1.46 3.9485 -1.19 -1.06 -1.7844 -0.988 3186556 PK04_095086 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E05 compound treatment 4.5307 -0.466 -0.44 4.8061 -0.336 -0.3 -0.5236 -0.9823 3187587 PK04_095087 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E06 compound treatment 2.8422 -2.15 -2.04 3.9356 -1.21 -1.08 -2.2029 -0.9554 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E07 compound treatment 5.3695 0.373 0.35 4.5922 -0.55 -0.49 -0.0971 -0.1606 3187266 PK04_095089 CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E08 compound treatment 5.1508 0.154 0.15 5.9489 0.807 0.72 0.6125 0.8336 3187351 PK04_095090 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E09 mock treatment 5.1941 0.198 0.19 4.7745 -0.367 -0.33 -0.0994 -0.2635 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E10 mock treatment 4.3206 -0.676 -0.64 4.6235 -0.518 -0.46 -0.7794 -0.9873 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E11 compound treatment 4.6767 -0.32 -0.3 5.5859 0.444 0.4 0.0661 0.1326 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E12 compound treatment 2.7647 -2.23 -2.11 3.2127 -1.93 -1.72 -2.7108 -0.9948 3186500 PK04_095092 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E13 compound treatment 4.4614 -0.535 -0.51 6.0029 0.861 0.77 0.1851 0.2012 3187346 PK04_095093 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCN3CCOCC3)c4ccccc4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E14 compound treatment 4.5455 -0.451 -0.43 4.7146 -0.427 -0.38 -0.5714 -0.9984 3187262 PK04_095094 CC(C)N1[C@H]([C@H](C(=O)NCCN2CCOCC2)c3ccccc3C1=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E15 compound treatment 3.2249 -1.77 -1.68 3.3181 -1.82 -1.63 -2.3364 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E16 compound treatment 5.5395 0.543 0.51 4.905 -0.237 -0.21 0.2141 0.3851 3187350 PK04_095096 COCCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E17 mock treatment 4.1822 -0.814 -0.77 5.053 -0.0888 -0.08 -0.601 -0.7757 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E18 mock treatment 4.5152 -0.481 -0.46 6.1423 1.0 0.89 0.309 0.3084 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E19 compound treatment 4.5181 -0.478 -0.45 3.5787 -1.56 -1.39 -1.3063 -0.8909 3068657 PK04_095097 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E20 compound treatment 1.6208 -3.38 -3.2 1.7529 -3.39 -3.02 -4.3975 -0.9996 3068140 PK04_095098 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E21 compound treatment 1.5016 -3.49 -3.31 1.775 -3.37 -3.0 -4.4633 -0.9988 3186562 PK04_095099 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E22 compound treatment 4.8881 -0.108 -0.1 4.7511 -0.391 -0.35 -0.319 -0.8779 3187591 PK04_095100 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E23 compound treatment 4.8192 -0.177 -0.17 4.8056 -0.336 -0.3 -0.3308 -0.9623 3187263 PK04_095101 CC(C)N1[C@H]([C@H](C(=O)NCc2ccccc2)c3ccccc3C1=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 E24 compound treatment 4.8114 -0.185 -0.18 4.226 -0.916 -0.82 -0.7016 -0.8396 3068517 PK04_095102 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F01 mock treatment 5.285 0.289 0.27 5.3144 0.173 0.15 0.302 0.9632 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F02 mock treatment 4.1117 -0.885 -0.84 5.1684 0.0266 0.02 -0.5754 -0.6868 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F03 compound treatment 4.0819 -0.914 -0.87 5.0886 -0.0532 -0.05 -0.6457 -0.7448 3187079 PK04_095103 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F04 compound treatment 4.7657 -0.231 -0.22 4.747 -0.395 -0.35 -0.4035 -0.9736 3068331 PK04_095104 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F05 compound treatment 3.0 -2.0 -1.89 3.4988 -1.64 -1.47 -2.3729 -0.9921 3068563 PK04_095105 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F06 compound treatment 3.6507 -1.35 -1.27 5.6011 0.459 0.41 -0.611 -0.4566 3186879 PK04_095106 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCCN6CCOCC6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F07 compound treatment 5.3212 0.325 0.31 6.0469 0.905 0.81 0.7884 0.9124 3187523 PK04_095107 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F08 compound treatment 5.1637 0.167 0.16 5.425 0.283 0.25 0.2906 0.9747 3186563 PK04_095108 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F09 mock treatment 4.3647 -0.632 -0.6 4.6325 -0.509 -0.45 -0.7442 -0.9908 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F10 mock treatment 4.5618 -0.435 -0.41 5.4819 0.34 0.3 -0.0764 -0.1494 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F11 compound treatment 3.4913 -1.51 -1.42 2.9698 -2.17 -1.94 -2.3778 -0.9886 3187257 PK04_095109 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F12 compound treatment 4.695 -0.301 -0.29 4.2991 -0.843 -0.75 -0.7334 -0.912 3068241 PK04_095110 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F13 compound treatment 4.4782 -0.518 -0.49 5.3508 0.209 0.19 -0.2151 -0.4098 3068554 PK04_095111 COCCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F14 compound treatment 4.0426 -0.954 -0.9 4.6937 -0.448 -0.4 -0.9211 -0.9329 3068362 PK04_095112 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)Sc4ccc(C)cc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F15 compound treatment 3.7983 -1.2 -1.13 3.9962 -1.15 -1.02 -1.5248 -0.9987 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F16 compound treatment 4.9948 -0.00158 0.0 4.9565 -0.185 -0.17 -0.118 -0.7135 3068012 PK04_095114 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F17 mock treatment 6.9691 1.97 1.87 4.9457 -0.196 -0.18 1.1966 0.638 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F18 mock treatment 4.9638 -0.0327 -0.03 5.6309 0.489 0.44 0.2867 0.6554 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F19 compound treatment 3.7417 -1.25 -1.19 3.8667 -1.28 -1.14 -1.6443 -0.9998 3067568 PK04_095115 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F20 compound treatment 5.1669 0.17 0.16 4.8602 -0.282 -0.25 -0.0636 -0.2129 3068266 PK04_095116 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F21 compound treatment 4.7154 -0.281 -0.27 4.6097 -0.532 -0.47 -0.5238 -0.9625 3186419 PK04_095117 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F22 compound treatment 5.0944 0.098 0.09 5.7013 0.559 0.5 0.4186 0.8244 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F23 compound treatment 5.8707 0.874 0.83 5.3936 0.252 0.22 0.744 0.8676 3068017 PK04_095119 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)O)c4ccccc4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 F24 compound treatment 3.5197 -1.48 -1.4 3.5704 -1.57 -1.4 -1.9798 -1.0 3186554 PK04_095120 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G01 compound treatment 5.7429 0.746 0.71 6.2627 1.12 1.0 1.2068 0.9855 3186418 PK04_095121 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G02 compound treatment 5.8195 0.823 0.78 5.975 0.833 0.74 1.0766 0.9997 3067966 PK04_095122 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCN3CCOCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G03 mock treatment 5.4836 0.487 0.46 5.1083 -0.0335 -0.03 0.3049 0.6598 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G04 mock treatment 5.9243 0.928 0.88 5.4351 0.293 0.26 0.8061 0.8796 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G05 compound treatment 2.7006 -2.3 -2.17 2.643 -2.5 -2.23 -3.1132 -0.9999 3068153 PK04_095123 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G06 compound treatment 6.245 1.25 1.18 5.1031 -0.0388 -0.03 0.8113 0.6861 3187356 PK04_095124 COCCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G07 compound treatment 3.0342 -1.96 -1.86 3.2552 -1.89 -1.68 -2.5037 -0.9988 3187173 PK04_095125 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G08 compound treatment 5.3082 0.312 0.3 5.1495 0.00765 0.01 0.2135 0.7233 3068514 PK04_095126 CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G09 compound treatment 5.2044 0.208 0.2 5.3409 0.199 0.18 0.2648 0.9987 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G10 compound treatment 4.5418 -0.455 -0.43 3.8734 -1.27 -1.13 -1.1045 -0.9122 3068420 PK04_095128 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G11 compound treatment 4.0558 -0.941 -0.89 4.1394 -1.0 -0.89 -1.262 -1.0 3187434 PK04_095129 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G12 compound treatment 5.1821 0.186 0.18 4.0794 -1.06 -0.95 -0.546 -0.5663 3186416 PK04_095130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G13 compound treatment 4.4266 -0.57 -0.54 5.3845 0.243 0.22 -0.2283 -0.3928 3068507 PK04_095131 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G14 compound treatment 4.7232 -0.273 -0.26 4.4907 -0.651 -0.58 -0.5937 -0.9336 3187162 PK04_095132 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G15 compound treatment 6.3099 1.31 1.24 5.9013 0.759 0.68 1.3583 0.9593 3068602 PK04_095133 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G16 compound treatment 4.3698 -0.627 -0.59 4.6779 -0.464 -0.41 -0.7121 -0.9845 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G17 compound treatment 4.4634 -0.533 -0.5 5.1528 0.011 0.01 -0.3499 -0.6932 3067567 PK04_095135 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G18 compound treatment 5.3475 0.351 0.33 5.3572 0.215 0.19 0.3709 0.9661 3187525 PK04_095136 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G19 mock treatment 5.8574 0.861 0.81 4.9497 -0.192 -0.17 0.455 0.5464 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G20 mock treatment 5.7852 0.789 0.75 6.2668 1.12 1.0 1.2376 0.9894 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G21 compound treatment 4.4615 -0.535 -0.51 3.5379 -1.6 -1.43 -1.37 -0.9025 3187167 PK04_095137 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G22 compound treatment 3.8686 -1.13 -1.07 4.1027 -1.04 -0.93 -1.4105 -0.9975 3187174 PK04_095138 COc1ccccc1CN2[C@H]([C@H](C(=O)NC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G23 compound treatment 6.2031 1.21 1.14 5.1964 0.0545 0.05 0.8421 0.7366 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 G24 compound treatment 2.855 -2.14 -2.03 2.7679 -2.37 -2.12 -2.931 -0.9998 3068471 PK04_095140 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H01 compound treatment 4.3024 -0.694 -0.66 3.9632 -1.18 -1.05 -1.2081 -0.9743 3068149 PK04_095141 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H02 compound treatment 3.1502 -1.85 -1.75 3.4644 -1.68 -1.5 -2.294 -0.997 3068236 PK04_095142 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H03 mock treatment 5.8196 0.823 0.78 5.389 0.247 0.22 0.7069 0.8729 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H04 mock treatment 5.6789 0.682 0.65 5.6395 0.498 0.44 0.7708 0.9833 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H05 compound treatment 4.0227 -0.974 -0.92 3.9863 -1.16 -1.03 -1.3808 -0.9984 3187083 PK04_095143 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H06 compound treatment 3.8916 -1.1 -1.05 4.4735 -0.668 -0.6 -1.1611 -0.9645 3068265 PK04_095144 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H07 compound treatment 5.457 0.461 0.44 5.139 -0.00285 0.0 0.3065 0.703 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H08 compound treatment 3.7772 -1.22 -1.15 3.5476 -1.59 -1.42 -1.8219 -0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H09 compound treatment 4.8748 -0.122 -0.12 4.9871 -0.155 -0.14 -0.179 -0.9959 3187071 PK04_095147 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H10 compound treatment 2.3806 -2.62 -2.48 2.5191 -2.62 -2.34 -3.4056 -0.9996 3068139 PK04_095148 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H11 compound treatment 4.076 -0.92 -0.87 4.0982 -1.04 -0.93 -1.2745 -0.9994 3187589 PK04_095149 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H12 compound treatment 5.4756 0.479 0.45 4.3284 -0.813 -0.73 -0.1925 -0.2249 3186627 PK04_095150 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H13 compound treatment 5.3713 0.375 0.35 5.0873 -0.0545 -0.05 0.2165 0.6045 3187261 PK04_095151 CC(C)N1[C@H]([C@H](C(=O)NC2CC2)c3ccccc3C1=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H14 compound treatment 5.1425 0.146 0.14 5.4909 0.349 0.31 0.318 0.9332 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H15 compound treatment 3.8908 -1.11 -1.05 4.1172 -1.02 -0.91 -1.3865 -0.9977 3187166 PK04_095153 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H16 compound treatment 4.9126 -0.0838 -0.08 6.0587 0.917 0.82 0.5223 0.6355 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H17 compound treatment 6.1163 1.12 1.06 6.2815 1.14 1.02 1.4686 0.9998 3187349 PK04_095155 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCCN(C)C)c3ccccc3C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H18 compound treatment 4.2164 -0.78 -0.74 4.1138 -1.03 -0.92 -1.1707 -0.9942 3068412 PK04_095156 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H19 mock treatment 5.4215 0.425 0.4 5.4306 0.289 0.26 0.4666 0.9768 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H20 mock treatment 6.1407 1.14 1.08 5.8808 0.739 0.66 1.2321 0.9717 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H21 compound treatment 5.3748 0.378 0.36 5.0499 -0.092 -0.08 0.1953 0.5314 3187512 PK04_095157 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H22 compound treatment 4.9854 -0.011 -0.01 4.1296 -1.01 -0.9 -0.646 -0.7152 3186806 PK04_095158 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H23 compound treatment 6.5336 1.54 1.46 4.8478 -0.294 -0.26 0.8434 0.5704 3068599 PK04_095159 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NC4CC4)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 H24 compound treatment 5.2175 0.221 0.21 5.1765 0.0346 0.03 0.1698 0.8028 3187586 PK04_095160 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I01 compound treatment 4.4187 -0.578 -0.55 4.3937 -0.748 -0.67 -0.8587 -0.9951 3187165 PK04_095161 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I02 compound treatment 4.7741 -0.222 -0.21 4.5724 -0.569 -0.51 -0.508 -0.9239 3068418 PK04_095162 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I03 compound treatment 5.3387 0.342 0.32 5.0458 -0.0961 -0.09 0.1685 0.5027 3187178 PK04_095163 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I04 compound treatment 5.3964 0.4 0.38 5.0222 -0.12 -0.11 0.1922 0.4887 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I05 mock treatment 5.1912 0.195 0.18 6.0237 0.882 0.79 0.6867 0.8498 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I06 mock treatment 4.9883 -0.00816 -0.01 5.4773 0.335 0.3 0.2062 0.6886 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I07 compound treatment 4.1401 -0.856 -0.81 4.377 -0.765 -0.68 -1.0557 -0.9963 3068542 PK04_095165 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3Cc4ccccc4C3)C(=O)c5ccccc25)c6ccc(CO)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I08 compound treatment 4.4717 -0.525 -0.5 5.8104 0.669 0.6 0.0705 0.0909 3187345 PK04_095166 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I09 compound treatment 3.9055 -1.09 -1.03 3.5304 -1.61 -1.44 -1.7469 -0.9868 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I10 compound treatment 3.7749 -1.22 -1.16 4.3585 -0.783 -0.7 -1.3118 -0.9709 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I11 compound treatment 3.2837 -1.71 -1.62 4.2943 -0.848 -0.76 -1.6811 -0.9397 3187358 PK04_095169 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I12 compound treatment 2.7658 -2.23 -2.11 2.6098 -2.53 -2.26 -3.0905 -0.9994 3068653 PK04_095170 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I13 compound treatment 4.3575 -0.639 -0.6 4.6039 -0.538 -0.48 -0.767 -0.9934 3067962 PK04_095171 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I14 compound treatment 3.2738 -1.72 -1.63 3.1827 -1.96 -1.75 -2.3891 -0.9994 3068606 PK04_095172 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I15 compound treatment 5.3963 0.4 0.38 4.6388 -0.503 -0.45 -0.0497 -0.0847 3068476 PK04_095173 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I16 compound treatment 5.0529 0.0565 0.05 4.8206 -0.321 -0.29 -0.1649 -0.5654 3186417 PK04_095174 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I17 compound treatment 4.3037 -0.693 -0.66 4.8343 -0.308 -0.27 -0.6577 -0.9253 3187268 PK04_095175 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I18 compound treatment 5.3376 0.341 0.32 4.8265 -0.315 -0.28 0.0294 0.0685 3187264 PK04_095176 CC(C)N1[C@H]([C@H](C(=O)NCC(F)(F)F)c2ccccc2C1=O)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I19 compound treatment 2.7548 -2.24 -2.12 2.9943 -2.15 -1.92 -2.8553 -0.9987 3186499 PK04_095177 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I20 compound treatment 4.2399 -0.757 -0.72 4.3433 -0.799 -0.71 -1.0102 -1.0 3068422 PK04_095178 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I21 mock treatment 4.7985 -0.198 -0.19 4.932 -0.21 -0.19 -0.2648 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I22 mock treatment 4.9483 -0.0482 -0.05 5.2192 0.0773 0.07 0.0166 0.2002 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I23 compound treatment 3.9248 -1.07 -1.01 4.4594 -0.682 -0.61 -1.1478 -0.9702 3068550 PK04_095179 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(C)C)C(=O)c3ccccc23)c4ccc(CO)cc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 I24 compound treatment 4.7048 -0.292 -0.28 4.1411 -1.0 -0.89 -0.8265 -0.8844 3187258 PK04_095180 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4Cc5ccccc5C4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J01 compound treatment 3.5697 -1.43 -1.35 4.2974 -0.844 -0.75 -1.4877 -0.962 3187273 PK04_095181 CC(C)CNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J02 compound treatment 5.9014 0.905 0.86 5.9762 0.834 0.74 1.1321 0.9976 3186630 PK04_095182 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J03 compound treatment 5.7754 0.779 0.74 6.0153 0.873 0.78 1.0725 0.9996 3187353 PK04_095183 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(=O)c3ccccc32)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J04 compound treatment 5.6476 0.651 0.62 5.6013 0.459 0.41 0.7257 0.9803 3187588 PK04_095184 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)O)c3ccccc3C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J05 mock treatment 6.0595 1.06 1.01 5.2826 0.141 0.13 0.8004 0.7892 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J06 mock treatment 4.7979 -0.199 -0.19 5.7998 0.658 0.59 0.2822 0.4579 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J07 compound treatment 5.7636 0.767 0.73 5.0685 -0.0734 -0.07 0.4672 0.6408 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J08 compound treatment 4.2526 -0.744 -0.7 4.8172 -0.325 -0.29 -0.7027 -0.9229 3186722 PK04_095186 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J09 compound treatment 2.1455 -2.85 -2.7 2.2825 -2.86 -2.55 -3.7122 -0.9996 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J10 compound treatment 4.1143 -0.882 -0.84 6.3333 1.19 1.06 0.1612 0.1193 3186639 PK04_095188 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J11 compound treatment 6.0726 1.08 1.02 4.7797 -0.362 -0.32 0.4918 0.4602 3187270 PK04_095189 CC(C)NC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J12 compound treatment 5.3025 0.306 0.29 5.0983 -0.0435 -0.04 0.1775 0.607 3067980 PK04_095190 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J13 compound treatment 5.2099 0.213 0.2 3.9084 -1.23 -1.1 -0.6353 -0.5678 3186421 PK04_095191 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J14 compound treatment 3.4135 -1.58 -1.5 4.198 -0.944 -0.84 -1.655 -0.9629 3068150 PK04_095192 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J15 compound treatment 5.6291 0.633 0.6 5.5527 0.411 0.37 0.6826 0.9722 3068598 PK04_095193 CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J16 compound treatment 4.3681 -0.628 -0.59 5.0748 -0.0671 -0.06 -0.4629 -0.7743 3068324 PK04_095194 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J17 compound treatment 2.9353 -2.06 -1.95 2.9494 -2.19 -1.96 -2.7628 -1.0 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J18 compound treatment 3.1816 -1.81 -1.72 3.3695 -1.77 -1.58 -2.3328 -0.9991 3068414 PK04_095196 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J19 compound treatment 2.9918 -2.0 -1.9 3.6572 -1.48 -1.32 -2.2784 -0.9846 3187085 PK04_095197 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J20 compound treatment 2.9912 -2.01 -1.9 3.2278 -1.91 -1.71 -2.5497 -0.9986 3186884 PK04_095198 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J21 mock treatment 4.7796 -0.217 -0.21 4.8551 -0.287 -0.26 -0.3261 -0.994 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J22 mock treatment 5.3725 0.376 0.36 5.061 -0.0809 -0.07 0.2007 0.5525 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J23 compound treatment 5.5322 0.536 0.51 5.2409 0.099 0.09 0.4211 0.8179 3187082 PK04_095199 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 J24 compound treatment 4.7195 -0.277 -0.26 4.7467 -0.395 -0.35 -0.4347 -0.9894 3068227 PK04_095200 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K01 compound treatment 4.2626 -0.734 -0.69 4.395 -0.747 -0.67 -0.9623 -0.9998 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K02 compound treatment 3.434 -1.56 -1.48 4.0105 -1.13 -1.01 -1.7596 -0.9827 3187168 PK04_095202 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccc(OC(F)(F)F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K03 compound treatment 2.7978 -2.2 -2.08 2.9436 -2.2 -1.96 -2.8585 -0.9996 3068143 PK04_095203 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC5CC5)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K04 compound treatment 3.4995 -1.5 -1.42 3.6802 -1.46 -1.3 -1.9241 -0.9991 3187275 PK04_095204 CN(C)CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K05 compound treatment 4.452 -0.544 -0.52 4.1538 -0.988 -0.88 -0.9877 -0.9673 3187271 PK04_095205 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K06 compound treatment 1.7774 -3.22 -3.05 1.8295 -3.31 -2.96 -4.2443 -0.9999 3186561 PK04_095206 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K07 mock treatment 5.0185 0.022 0.02 6.6131 1.47 1.31 0.9429 0.7183 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K08 mock treatment 5.1225 0.126 0.12 4.6927 -0.449 -0.4 -0.1989 -0.4758 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K09 compound treatment 5.1985 0.202 0.19 5.3992 0.257 0.23 0.2976 0.9959 3068519 PK04_095207 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K10 compound treatment 4.2051 -0.791 -0.75 3.6142 -1.53 -1.36 -1.4935 -0.9603 3068466 PK04_095208 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K11 compound treatment 4.5816 -0.415 -0.39 4.6288 -0.513 -0.46 -0.6013 -0.9971 3068556 PK04_095209 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K12 compound treatment 4.5087 -0.488 -0.46 3.2094 -1.93 -1.72 -1.5456 -0.8659 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K13 compound treatment 5.2371 0.241 0.23 5.1313 -0.0106 -0.01 0.1545 0.6773 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K14 compound treatment 2.6474 -2.35 -2.22 2.338 -2.8 -2.5 -3.3412 -0.9983 3068588 PK04_095212 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K15 mock treatment 4.4366 -0.56 -0.53 5.2315 0.0897 0.08 -0.3182 -0.5936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K16 mock treatment 4.3554 -0.641 -0.61 5.6683 0.526 0.47 -0.097 -0.1264 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K17 compound treatment 4.6093 -0.387 -0.37 4.9095 -0.232 -0.21 -0.4057 -0.9636 3068009 PK04_095213 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K18 compound treatment 2.6539 -2.34 -2.22 2.6243 -2.52 -2.25 -3.1562 -1.0 3186498 PK04_095214 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCCN(C)C)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K19 compound treatment 3.9904 -1.01 -0.95 4.1438 -0.998 -0.89 -1.3031 -0.9994 3068472 PK04_095215 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K20 compound treatment 5.6609 0.665 0.63 4.5167 -0.625 -0.56 0.0504 0.0599 3187259 PK04_095216 COCCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K21 compound treatment 3.4352 -1.56 -1.48 3.9538 -1.19 -1.06 -1.7945 -0.9867 3187078 PK04_095217 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K22 compound treatment 2.6586 -2.34 -2.21 2.6022 -2.54 -2.27 -3.1671 -0.9999 3068508 PK04_095218 COc1ccccc1CN2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K23 mock treatment 5.1316 0.135 0.13 4.6463 -0.496 -0.44 -0.2221 -0.4826 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 K24 mock treatment 4.5416 -0.455 -0.43 4.2155 -0.926 -0.83 -0.8889 -0.9538 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L01 compound treatment 2.4161 -2.58 -2.44 2.2911 -2.85 -2.54 -3.5256 -0.9998 3187175 PK04_095219 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCCN(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L02 compound treatment 4.7024 -0.294 -0.28 5.2479 0.106 0.09 -0.1299 -0.4419 3186714 PK04_095220 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L03 compound treatment 4.7719 -0.225 -0.21 5.6446 0.503 0.45 0.1669 0.3362 3067967 PK04_095221 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCc3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L04 compound treatment 5.7427 0.746 0.71 5.8603 0.718 0.64 0.9528 0.9988 3186429 PK04_095222 CC(C)CN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L05 compound treatment 4.3159 -0.681 -0.64 4.5352 -0.607 -0.54 -0.8383 -0.9962 3068540 PK04_095223 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L06 compound treatment 5.1259 0.129 0.12 5.7814 0.64 0.57 0.4901 0.8399 3186551 PK04_095224 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L07 mock treatment 4.9191 -0.0773 -0.07 5.4655 0.324 0.29 0.1524 0.5116 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L08 mock treatment 5.3397 0.343 0.32 4.4804 -0.661 -0.59 -0.1875 -0.2784 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L09 compound treatment 3.2631 -1.73 -1.64 3.2339 -1.91 -1.7 -2.3639 -0.9998 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L10 compound treatment 4.1669 -0.83 -0.79 4.2382 -0.904 -0.81 -1.1254 -0.9999 3068144 PK04_095226 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCc5ccccc5)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L11 compound treatment 5.5183 0.522 0.49 5.0777 -0.0641 -0.06 0.3088 0.621 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L12 compound treatment 4.2792 -0.717 -0.68 4.4717 -0.67 -0.6 -0.9029 -0.998 3068313 PK04_095228 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L13 compound treatment 5.135 0.139 0.13 4.5801 -0.562 -0.5 -0.2617 -0.5051 3187347 PK04_095229 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(C)C)C(=O)c3ccccc32)c4ccc(CO)cc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L14 compound treatment 5.2183 0.222 0.21 4.7725 -0.369 -0.33 -0.0845 -0.2162 3068194 PK04_095230 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(C)C)C4=O)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L15 mock treatment 5.2407 0.244 0.23 5.6948 0.553 0.49 0.5124 0.9403 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L16 mock treatment 4.9621 -0.0343 -0.03 6.0148 0.873 0.78 0.5278 0.677 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L17 compound treatment 2.6719 -2.32 -2.2 3.0052 -2.14 -1.91 -2.9039 -0.9974 3068510 PK04_095231 COc1ccccc1CN2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L18 compound treatment 4.7846 -0.212 -0.2 5.1569 0.0151 0.01 -0.1323 -0.6582 3068263 PK04_095232 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3I)Sc4ccc(C)cc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L19 compound treatment 5.2209 0.224 0.21 5.3668 0.225 0.2 0.2922 0.9996 3067958 PK04_095233 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L20 compound treatment 3.9977 -0.999 -0.95 4.1248 -1.02 -0.91 -1.3102 -0.9998 3068403 PK04_095234 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L21 compound treatment 4.1891 -0.807 -0.76 3.8368 -1.31 -1.16 -1.3638 -0.9791 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L22 compound treatment 4.9986 0.00221 0.0 5.2433 0.101 0.09 0.0655 0.7233 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L23 mock treatment 5.6137 0.617 0.58 4.4927 -0.649 -0.58 0.0036 0.0044 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 L24 mock treatment 5.0618 0.0654 0.06 5.1083 -0.0336 -0.03 0.0226 0.3283 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M01 compound treatment 4.1 -0.896 -0.85 4.9892 -0.153 -0.14 -0.6963 -0.8102 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M02 compound treatment 4.7862 -0.21 -0.2 5.3463 0.204 0.18 -0.0117 -0.0434 3068593 PK04_095238 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NC3CC3)c4ccccc4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M03 compound treatment 4.6881 -0.308 -0.29 4.4722 -0.67 -0.6 -0.6289 -0.9457 3187441 PK04_095239 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M04 compound treatment 3.7668 -1.23 -1.16 4.3971 -0.745 -0.66 -1.2929 -0.9647 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M05 compound treatment 4.0282 -0.968 -0.92 4.42 -0.722 -0.64 -1.1035 -0.9851 3068152 PK04_095241 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M06 compound treatment 4.2967 -0.7 -0.66 3.5435 -1.6 -1.43 -1.4767 -0.9392 3068655 PK04_095242 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M07 compound treatment 4.697 -0.299 -0.28 4.8531 -0.289 -0.26 -0.3826 -0.9989 3068005 PK04_095243 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M08 compound treatment 3.4534 -1.54 -1.46 2.9518 -2.19 -1.95 -2.4145 -0.9897 3187084 PK04_095244 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M09 mock treatment 4.8428 -0.154 -0.15 5.1551 0.0133 0.01 -0.0944 -0.6472 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M10 mock treatment 5.7026 0.706 0.67 4.7527 -0.389 -0.35 0.2271 0.3016 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M11 compound treatment 3.813 -1.18 -1.12 3.1538 -1.99 -1.77 -2.0464 -0.9754 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M12 compound treatment 2.484 -2.51 -2.38 2.5494 -2.59 -2.31 -3.3172 -0.9999 3068142 PK04_095246 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M13 mock treatment 5.318 0.322 0.3 4.8466 -0.295 -0.26 0.029 0.072 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M14 mock treatment 5.5831 0.587 0.56 6.3162 1.17 1.05 1.1335 0.9559 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M15 compound treatment 3.6048 -1.39 -1.32 4.2784 -0.863 -0.77 -1.4762 -0.9674 3068557 PK04_095247 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5CCCCC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M16 compound treatment 3.2111 -1.79 -1.69 3.3963 -1.75 -1.56 -2.2962 -0.9992 3187170 PK04_095248 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M17 compound treatment 4.1201 -0.876 -0.83 3.8902 -1.25 -1.12 -1.3762 -0.9893 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M18 compound treatment 5.2415 0.245 0.23 4.8828 -0.259 -0.23 6.0E-4 0.0019 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M19 compound treatment 4.8341 -0.162 -0.15 5.6763 0.534 0.48 0.2285 0.4561 3068552 PK04_095251 CC(C)NC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M20 compound treatment 3.4207 -1.58 -1.49 4.4527 -0.689 -0.61 -1.4894 -0.9232 3068014 PK04_095252 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)O)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M21 compound treatment 3.5967 -1.4 -1.33 3.7145 -1.43 -1.27 -1.8374 -0.9998 3187086 PK04_095253 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M22 compound treatment 4.6029 -0.393 -0.37 4.6354 -0.506 -0.45 -0.5829 -0.9954 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M23 compound treatment 4.2832 -0.713 -0.68 3.8747 -1.27 -1.13 -1.2768 -0.9696 3187081 PK04_095255 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 M24 compound treatment 4.677 -0.319 -0.3 4.5637 -0.578 -0.52 -0.5785 -0.9676 3068003 PK04_095256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N01 compound treatment 1.7907 -3.21 -3.03 1.7802 -3.36 -3.0 -4.2665 -1.0 3187360 PK04_095257 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N02 compound treatment 5.1148 0.118 0.11 4.9605 -0.181 -0.16 -0.0352 -0.1786 3068231 PK04_095258 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N03 compound treatment 3.7974 -1.2 -1.13 4.919 -0.223 -0.2 -0.9432 -0.8185 3068544 PK04_095259 CC(C)NC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N04 compound treatment 2.6986 -2.3 -2.18 3.5493 -1.59 -1.42 -2.5427 -0.9787 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N05 compound treatment 5.4496 0.453 0.43 4.2281 -0.914 -0.82 -0.2731 -0.2965 3187260 PK04_095261 CCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N06 compound treatment 3.1491 -1.85 -1.75 3.6263 -1.52 -1.35 -2.1926 -0.9919 3186724 PK04_095262 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N07 compound treatment 3.1879 -1.81 -1.71 4.074 -1.07 -0.95 -1.8842 -0.9617 3068501 PK04_095263 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N08 compound treatment 3.588 -1.41 -1.33 3.1289 -2.01 -1.8 -2.2127 -0.9892 3186871 PK04_095264 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N09 mock treatment 5.0624 0.066 0.06 5.3615 0.22 0.2 0.1827 0.8884 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N10 mock treatment 5.2362 0.24 0.23 4.9715 -0.17 -0.15 0.053 0.1941 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N11 compound treatment 4.3103 -0.686 -0.65 3.8121 -1.33 -1.19 -1.2981 -0.9598 3187070 PK04_095265 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N12 compound treatment 5.0567 0.0603 0.06 4.6671 -0.475 -0.42 -0.2591 -0.6063 3186804 PK04_095266 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N13 mock treatment 5.0467 0.0503 0.05 6.2744 1.13 1.01 0.7482 0.7396 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N14 mock treatment 5.5824 0.586 0.55 4.7311 -0.411 -0.37 0.1331 0.2002 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N15 compound treatment 2.4749 -2.52 -2.39 3.3199 -1.82 -1.63 -2.8372 -0.9825 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N16 compound treatment 4.6235 -0.373 -0.35 4.9569 -0.185 -0.17 -0.3663 -0.94 3068226 PK04_095268 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N17 compound treatment 4.6743 -0.322 -0.3 5.1855 0.0436 0.04 -0.1881 -0.6119 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N18 compound treatment 4.8647 -0.132 -0.12 5.4136 0.272 0.24 0.0832 0.3053 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N19 compound treatment 5.7201 0.724 0.69 5.2437 0.102 0.09 0.5487 0.794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N20 compound treatment 4.0182 -0.978 -0.93 4.833 -0.309 -0.28 -0.8496 -0.8794 3186492 PK04_095272 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N21 compound treatment 4.6889 -0.308 -0.29 4.6491 -0.493 -0.44 -0.5167 -0.98 3067959 PK04_095273 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N22 compound treatment 5.0316 0.0351 0.03 5.3598 0.218 0.19 0.161 0.8162 3187526 PK04_095274 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)O)c3ccc(cc3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N23 compound treatment 4.1918 -0.805 -0.76 4.1201 -1.02 -0.91 -1.1832 -0.996 3068468 PK04_095275 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 N24 compound treatment 5.3638 0.367 0.35 5.462 0.32 0.29 0.4479 0.9952 3068222 PK04_095276 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O01 compound treatment 2.4573 -2.54 -2.4 2.5389 -2.6 -2.32 -3.3417 -0.9999 3068590 PK04_095277 CC(C)NC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O02 compound treatment 3.3518 -1.64 -1.56 3.5853 -1.56 -1.39 -2.0828 -0.9984 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O03 compound treatment 2.644 -2.35 -2.23 2.8768 -2.27 -2.02 -3.0036 -0.9988 3068512 PK04_095279 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O04 compound treatment 3.8443 -1.15 -1.09 3.9269 -1.21 -1.08 -1.5376 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O05 compound treatment 4.4937 -0.503 -0.48 4.2738 -0.868 -0.77 -0.8842 -0.9727 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O06 compound treatment 4.2976 -0.699 -0.66 4.2707 -0.871 -0.78 -1.0174 -0.9968 3187520 PK04_095282 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O07 compound treatment 3.1336 -1.86 -1.76 2.8155 -2.33 -2.08 -2.7145 -0.9967 3186989 PK04_095283 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O08 compound treatment 2.3533 -2.64 -2.5 3.0069 -2.13 -1.9 -3.116 -0.9909 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O09 compound treatment 2.0704 -2.93 -2.77 1.9416 -3.2 -2.86 -3.9775 -0.9999 3068604 PK04_095285 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O10 compound treatment 2.9314 -2.07 -1.95 3.2056 -1.94 -1.73 -2.6037 -0.9981 3187362 PK04_095286 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O11 mock treatment 5.1388 0.142 0.13 4.8404 -0.301 -0.27 -0.0949 -0.3154 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O12 mock treatment 4.1817 -0.815 -0.77 4.3386 -0.803 -0.72 -1.0521 -0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O13 compound treatment 4.1588 -0.838 -0.79 3.7642 -1.38 -1.23 -1.4299 -0.9775 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O14 compound treatment 2.7124 -2.28 -2.16 2.4522 -2.69 -2.4 -3.2256 -0.9986 3068464 PK04_095288 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O15 compound treatment 3.0051 -1.99 -1.88 2.9427 -2.2 -1.96 -2.7203 -0.9998 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O16 compound treatment 3.6312 -1.37 -1.29 3.9427 -1.2 -1.07 -1.6703 -0.9956 3187164 PK04_095290 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O17 compound treatment 3.5473 -1.45 -1.37 5.4309 0.289 0.26 -0.7876 -0.5643 3187177 PK04_095291 CC(C)CNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O18 compound treatment 3.4977 -1.5 -1.42 4.6656 -0.476 -0.42 -1.3036 -0.8803 3068546 PK04_095292 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O19 compound treatment 3.7144 -1.28 -1.21 4.0318 -1.11 -0.99 -1.5584 -0.9949 3187256 PK04_095293 CC(C)CNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O20 compound treatment 3.7514 -1.24 -1.18 3.6702 -1.47 -1.31 -1.7617 -0.9985 3187088 PK04_095294 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O21 compound treatment 3.251 -1.75 -1.65 2.9545 -2.19 -1.95 -2.5483 -0.9966 3186494 PK04_095295 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(C)C)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O22 compound treatment 3.4152 -1.58 -1.5 4.0018 -1.14 -1.02 -1.7776 -0.9823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O23 compound treatment 3.5552 -1.44 -1.36 3.8201 -1.32 -1.18 -1.7985 -0.9974 3187267 PK04_095297 CC(C)CNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 O24 compound treatment 2.9943 -2.0 -1.9 3.1255 -2.02 -1.8 -2.6122 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P01 compound treatment 1.9654 -3.03 -2.87 2.0983 -3.04 -2.72 -3.9489 -0.9996 3068591 PK04_095299 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2CC4(CC5CC6CC(C5)C4)C6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P02 compound treatment 4.6892 -0.307 -0.29 5.1901 0.0483 0.04 -0.1752 -0.5959 3187521 PK04_095300 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P03 compound treatment 3.1949 -1.8 -1.71 3.4743 -1.67 -1.49 -2.2579 -0.9977 3186990 PK04_095301 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P04 compound treatment 3.0479 -1.95 -1.84 3.0534 -2.09 -1.86 -2.6218 -1.0 3186985 PK04_095302 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P05 compound treatment 2.7836 -2.21 -2.09 2.748 -2.39 -2.14 -2.9914 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P06 compound treatment 3.6195 -1.38 -1.3 3.5576 -1.58 -1.41 -1.9211 -0.9992 3186975 PK04_095304 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P07 compound treatment 4.2751 -0.721 -0.68 4.3517 -0.79 -0.71 -0.9813 -0.9999 3068548 PK04_095305 CC(C)CNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P08 compound treatment 3.7212 -1.28 -1.21 3.5212 -1.62 -1.45 -1.876 -0.996 3067563 PK04_095306 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CCN5CCOCC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P09 compound treatment 3.7698 -1.23 -1.16 4.1174 -1.02 -0.91 -1.4673 -0.993 3067961 PK04_095307 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P10 compound treatment 3.8283 -1.17 -1.11 4.6424 -0.499 -0.45 -1.097 -0.9202 3068015 PK04_095308 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P11 mock treatment 4.5075 -0.489 -0.46 5.2448 0.103 0.09 -0.2623 -0.5559 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P12 mock treatment 3.8769 -1.12 -1.06 3.8471 -1.29 -1.16 -1.5662 -0.9991 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P13 compound treatment 4.9576 -0.0388 -0.04 4.6923 -0.45 -0.4 -0.3096 -0.7687 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P14 compound treatment 2.4248 -2.57 -2.43 2.6147 -2.53 -2.25 -3.3156 -0.9993 3186495 PK04_095310 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCN5CCOCC5)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P15 compound treatment 3.1128 -1.88 -1.78 3.2323 -1.91 -1.7 -2.4655 -0.9997 3187437 PK04_095311 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P16 compound treatment 3.2232 -1.77 -1.68 3.1336 -2.01 -1.79 -2.4539 -0.9995 3186625 PK04_095312 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C(C)C)C4=O)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P17 compound treatment 3.8895 -1.11 -1.05 4.1129 -1.03 -0.92 -1.39 -0.9978 3068541 PK04_095313 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P18 compound treatment 2.7828 -2.21 -2.1 3.0091 -2.13 -1.9 -2.8272 -0.9988 3186878 PK04_095314 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NC6CC6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P19 compound treatment 2.9383 -2.06 -1.95 3.3521 -1.79 -1.6 -2.5067 -0.9951 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P20 compound treatment 3.3725 -1.62 -1.54 4.1237 -1.02 -0.91 -1.7293 -0.9685 3068271 PK04_095316 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCc6ccccc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P21 compound treatment 4.4041 -0.592 -0.56 4.2266 -0.915 -0.82 -0.9739 -0.9832 3068008 PK04_095317 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P22 compound treatment 4.2803 -0.716 -0.68 4.3526 -0.789 -0.7 -0.9772 -0.9998 3068262 PK04_095318 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P23 compound treatment 3.2463 -1.75 -1.66 3.4828 -1.66 -1.48 -2.2181 -0.9984 3068469 PK04_095319 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2095 P24 compound treatment 4.0127 -0.984 -0.93 4.1987 -0.943 -0.84 -1.2535 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A01 compound treatment 1.7437 -3.45 -3.27 2.1869 -3.07 -2.74 -4.2458 -0.9962 3186490 PK04_096001 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A02 compound treatment 6.4953 1.3 1.23 5.2677 0.0115 0.01 0.8782 0.713 3186641 PK04_096002 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A03 compound treatment 5.3248 0.131 0.12 5.0473 -0.209 -0.19 -0.0443 -0.1979 3068261 PK04_096003 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A04 compound treatment 3.3373 -1.86 -1.76 3.3474 -1.91 -1.7 -2.447 -0.9999 3186971 PK04_096004 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A05 compound treatment 4.1074 -1.09 -1.03 4.6488 -0.607 -0.54 -1.1106 -0.9552 3186883 PK04_096005 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A06 compound treatment 4.4478 -0.746 -0.71 5.0656 -0.191 -0.17 -0.6197 -0.853 3068309 PK04_096006 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A07 compound treatment 4.2899 -0.904 -0.86 4.3187 -0.938 -0.84 -1.1967 -0.9999 3186716 PK04_096007 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A08 compound treatment 2.78 -2.41 -2.29 2.5346 -2.72 -2.43 -3.3328 -0.9995 3068367 PK04_096008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)Sc6ccc(C)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A09 compound treatment 4.9254 -0.269 -0.25 4.8209 -0.435 -0.39 -0.4545 -0.979 3068224 PK04_096009 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A10 compound treatment 5.4106 0.217 0.21 5.744 0.488 0.44 0.4527 0.941 3186633 PK04_096010 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5C(F)(F)F)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A11 compound treatment 3.2643 -1.93 -1.83 3.4862 -1.77 -1.58 -2.4083 -0.9974 3186986 PK04_096011 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A12 compound treatment 6.0797 0.886 0.84 5.2754 0.0192 0.02 0.605 0.7214 3186640 PK04_096012 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A13 mock treatment 5.0499 -0.144 -0.14 5.2187 -0.0375 -0.03 -0.1202 -0.855 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A14 mock treatment 6.1408 0.947 0.9 5.6039 0.348 0.31 0.8531 0.8995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A15 compound treatment 3.2061 -1.99 -1.88 3.0268 -2.23 -1.99 -2.7371 -0.9996 3186881 PK04_096013 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A16 compound treatment 5.1443 -0.0498 -0.05 4.8854 -0.371 -0.33 -0.2672 -0.7997 3186790 PK04_096014 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A17 compound treatment 5.5546 0.361 0.34 5.0191 -0.237 -0.21 0.0918 0.2285 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A18 compound treatment 4.7515 -0.443 -0.42 5.0031 -0.253 -0.23 -0.4559 -0.9579 3186802 PK04_096016 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A19 compound treatment 5.9352 0.741 0.7 5.4547 0.198 0.18 0.6213 0.8587 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A20 compound treatment 3.9238 -1.27 -1.2 4.0656 -1.19 -1.06 -1.6013 -0.9981 3068141 PK04_096018 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A21 compound treatment 4.9226 -0.272 -0.26 3.9404 -1.32 -1.17 -1.0118 -0.842 3186624 PK04_096019 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5OC)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A22 compound treatment 5.3588 0.165 0.16 5.1676 -0.0886 -0.08 0.0544 0.311 3068200 PK04_096020 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCCN(C)C)C4=O)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A23 compound treatment 4.1994 -0.995 -0.94 5.0728 -0.183 -0.16 -0.7815 -0.8177 3068358 PK04_096021 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 A24 compound treatment 2.471 -2.72 -2.58 2.1994 -3.06 -2.73 -3.7511 -0.9996 3068371 PK04_096022 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B01 compound treatment 4.7139 -0.48 -0.45 5.0245 -0.232 -0.21 -0.4675 -0.9364 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B02 compound treatment 6.3155 1.12 1.06 6.7575 1.5 1.34 1.6978 0.9934 3187030 PK04_096024 OCCCc1cc[n+](Cc2cccc(OC(F)(F)F)c2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B03 compound treatment 4.331 -0.863 -0.82 4.2425 -1.01 -0.9 -1.2172 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B04 compound treatment 5.5804 0.386 0.37 6.0089 0.753 0.67 0.7335 0.9592 3068853 PK04_096026 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B05 compound treatment 4.7364 -0.458 -0.43 5.1805 -0.0757 -0.07 -0.3541 -0.8076 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B06 compound treatment 6.068 0.874 0.83 6.7573 1.5 1.34 1.532 0.9732 3068854 PK04_096028 C[n+]1ccc2ccc(O)cc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B07 compound treatment 6.0 0.806 0.76 5.2214 -0.0348 -0.03 0.5175 0.6778 3187352 PK04_096029 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCCN4CCOCC4)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B08 compound treatment 7.0815 1.89 1.79 6.8696 1.61 1.44 2.2812 0.9943 3187112 PK04_096030 COc1cc2CC[N+](=Cc2cc1O)Cc3cc4OCOc4cc3Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B09 compound treatment 4.5414 -0.653 -0.62 4.2847 -0.971 -0.87 -1.0498 -0.9862 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B10 compound treatment 5.9025 0.708 0.67 6.2769 1.02 0.91 1.1182 0.9887 3068855 PK04_096032 C[n+]1ccc(CCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B11 compound treatment 2.6255 -2.57 -2.43 2.9413 -2.31 -2.07 -3.1797 -0.9967 3068374 PK04_096033 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B12 compound treatment 4.7662 -0.428 -0.4 4.9912 -0.265 -0.24 -0.4535 -0.9671 3187113 PK04_096034 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C=C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B13 mock treatment 6.7757 1.58 1.5 6.2364 0.98 0.87 1.6771 0.9672 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B14 mock treatment 5.4188 0.225 0.21 5.911 0.655 0.58 0.5635 0.9064 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B15 compound treatment 4.7702 -0.424 -0.4 5.9962 0.74 0.66 0.1831 0.2371 3187255 PK04_096035 COCCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B16 compound treatment 6.8275 1.63 1.55 6.2207 0.964 0.86 1.7018 0.9617 3068856 PK04_096036 Oc1ccc2cc[n+](Cc3sc4ccccc4c3Cl)cc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B17 compound treatment 2.7899 -2.4 -2.28 2.833 -2.42 -2.16 -3.138 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B18 compound treatment 5.6051 0.411 0.39 6.7355 1.48 1.32 1.2084 0.8782 3187114 PK04_096038 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C5CC5)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B19 compound treatment 3.6978 -1.5 -1.42 3.7243 -1.53 -1.37 -1.9679 -0.9998 3187171 PK04_096039 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B20 compound treatment 5.436 0.242 0.23 5.7476 0.491 0.44 0.472 0.9542 3068857 PK04_096040 OCCCc1cc[n+](Cc2ccc(o2)[N+](=O)[O-])cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B21 compound treatment 5.18 -0.014 -0.01 6.1113 0.855 0.76 0.5301 0.6947 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B22 compound treatment 5.0369 -0.157 -0.15 5.4685 0.212 0.19 0.0288 0.1195 3187115 PK04_096042 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B23 compound treatment 4.3333 -0.861 -0.81 6.0702 0.814 0.73 -0.0626 -0.0573 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 B24 compound treatment 6.0496 0.856 0.81 6.5 1.24 1.11 1.3574 0.988 3187116 PK04_096044 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C01 compound treatment 4.9545 -0.24 -0.23 4.8343 -0.422 -0.38 -0.4265 -0.9706 3068218 PK04_096045 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C02 compound treatment 5.1334 -0.0606 -0.06 5.3391 0.0829 0.07 0.0117 0.1253 3186566 PK04_096046 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C03 compound treatment 4.2555 -0.939 -0.89 4.582 -0.674 -0.6 -1.0535 -0.982 3186549 PK04_096047 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C04 compound treatment 5.5504 0.356 0.34 4.8555 -0.401 -0.36 -0.0143 -0.0291 3186726 PK04_096048 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C05 compound treatment 4.5348 -0.659 -0.62 4.5564 -0.7 -0.62 -0.8828 -1.0 3186792 PK04_096049 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C06 compound treatment 3.8945 -1.3 -1.23 4.2042 -1.05 -0.94 -1.5336 -0.9911 3186987 PK04_096050 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C07 compound treatment 3.8462 -1.35 -1.28 4.3893 -0.867 -0.77 -1.4491 -0.9712 3068275 PK04_096051 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C08 compound treatment 3.2348 -1.96 -1.85 2.7187 -2.54 -2.26 -2.9123 -0.9951 3186560 PK04_096052 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C09 compound treatment 2.4398 -2.75 -2.61 2.7273 -2.53 -2.26 -3.439 -0.9974 3068147 PK04_096053 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C10 compound treatment 4.6543 -0.54 -0.51 4.6002 -0.656 -0.59 -0.7751 -0.9977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C11 mock treatment 3.1018 -2.09 -1.98 3.7118 -1.54 -1.38 -2.3748 -0.9843 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C12 mock treatment 4.7402 -0.454 -0.43 4.9989 -0.257 -0.23 -0.4661 -0.9569 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C13 compound treatment 2.7988 -2.4 -2.27 3.1556 -2.1 -1.87 -2.9285 -0.9955 3186974 PK04_096055 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C14 compound treatment 4.5036 -0.69 -0.65 5.4947 0.239 0.21 -0.3117 -0.4535 3186876 PK04_096056 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C15 mock treatment 4.4088 -0.785 -0.74 3.8521 -1.4 -1.25 -1.4114 -0.9689 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C16 mock treatment 4.8244 -0.37 -0.35 4.6531 -0.603 -0.54 -0.6279 -0.9783 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C17 compound treatment 2.8195 -2.37 -2.25 2.6065 -2.65 -2.36 -3.261 -0.9997 3186553 PK04_096057 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C18 compound treatment 5.1748 -0.0193 -0.02 4.2605 -0.996 -0.89 -0.6411 -0.7215 3186634 PK04_096058 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C19 compound treatment 4.829 -0.365 -0.35 5.4077 0.152 0.14 -0.1488 -0.4008 3186638 PK04_096059 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C20 compound treatment 4.5083 -0.686 -0.65 5.7253 0.469 0.42 -0.163 -0.2111 3068219 PK04_096060 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C21 compound treatment 3.1509 -2.04 -1.93 3.2822 -1.97 -1.76 -2.613 -0.9989 3068151 PK04_096061 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C22 compound treatment 4.1849 -1.01 -0.96 5.4474 0.191 0.17 -0.5548 -0.5718 3068158 PK04_096062 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C23 compound treatment 4.6455 -0.549 -0.52 4.3725 -0.884 -0.79 -0.9247 -0.9795 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 C24 compound treatment 3.2611 -1.93 -1.83 3.9164 -1.34 -1.2 -2.1391 -0.9787 3068376 PK04_096064 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D01 compound treatment 4.6096 -0.584 -0.55 4.6096 -0.647 -0.58 -0.7991 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D02 compound treatment 5.2553 0.0612 0.06 4.788 -0.468 -0.42 -0.2544 -0.6032 3187117 PK04_096066 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D03 compound treatment 2.506 -2.69 -2.54 2.4639 -2.79 -2.49 -3.5609 -0.9999 3187274 PK04_096067 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D04 compound treatment 5.8387 0.645 0.61 5.1824 -0.0737 -0.07 0.385 0.6272 3068858 PK04_096068 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C=C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D05 compound treatment 5.0682 -0.126 -0.12 4.5942 -0.662 -0.59 -0.5019 -0.833 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D06 compound treatment 4.4462 -0.748 -0.71 4.802 -0.454 -0.41 -0.7872 -0.965 3187118 PK04_096070 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D07 compound treatment 4.1962 -0.998 -0.94 3.9745 -1.28 -1.14 -1.4765 -0.9955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D08 compound treatment 4.5838 -0.61 -0.58 4.7608 -0.495 -0.44 -0.721 -0.9913 3068859 PK04_096072 OCc1ccc(cc1)c2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D09 compound treatment 2.2014 -2.99 -2.83 2.7742 -2.48 -2.21 -3.569 -0.9926 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D10 compound treatment 6.0152 0.821 0.78 4.56 -0.696 -0.62 0.1104 0.1109 3068860 PK04_096074 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D11 mock treatment 4.2727 -0.921 -0.87 5.0629 -0.193 -0.17 -0.7386 -0.8308 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D12 mock treatment 4.898 -0.296 -0.28 4.2524 -1.0 -0.9 -0.8314 -0.886 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D13 compound treatment 3.7913 -1.4 -1.33 3.9973 -1.26 -1.12 -1.7331 -0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D14 compound treatment 4.483 -0.711 -0.67 4.9202 -0.336 -0.3 -0.6879 -0.9336 3187119 PK04_096076 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D15 mock treatment 4.6808 -0.513 -0.49 4.4674 -0.789 -0.7 -0.8412 -0.9836 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D16 mock treatment 4.8434 -0.351 -0.33 4.4312 -0.825 -0.74 -0.7552 -0.9353 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D17 compound treatment 4.9765 -0.218 -0.21 4.4736 -0.783 -0.7 -0.6393 -0.8783 3187348 PK04_096077 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D18 compound treatment 4.264 -0.93 -0.88 4.5057 -0.75 -0.67 -1.096 -0.9909 3068861 PK04_096078 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C4CC4)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D19 compound treatment 5.0971 -0.097 -0.09 5.2127 -0.0435 -0.04 -0.0923 -0.9266 3187354 PK04_096079 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D20 compound treatment 4.3289 -0.865 -0.82 5.7836 0.527 0.47 -0.2464 -0.2609 3187120 PK04_096080 OCc1ccc(cc1)c2cc[n+](Cc3sc4ccccc4c3Cl)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D21 compound treatment 3.5694 -1.62 -1.54 3.8446 -1.41 -1.26 -1.978 -0.9951 3187433 PK04_096081 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D22 compound treatment 4.2251 -0.969 -0.92 4.4874 -0.769 -0.69 -1.1336 -0.9897 3068862 PK04_096082 COc1cc2CCN(C)C(C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D23 compound treatment 3.9226 -1.27 -1.2 3.9983 -1.26 -1.12 -1.6446 -0.9994 3068462 PK04_096083 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 D24 compound treatment 3.3673 -1.83 -1.73 3.7806 -1.48 -1.32 -2.1537 -0.9909 3187121 PK04_096084 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E01 mock treatment 5.6119 0.418 0.4 5.5926 0.336 0.3 0.492 0.9907 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E02 mock treatment 5.1124 -0.0817 -0.08 5.3542 0.0981 0.09 0.0072 0.0615 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E03 compound treatment 3.9979 -1.2 -1.13 3.2787 -1.98 -1.76 -2.0482 -0.977 3186708 PK04_096085 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E04 compound treatment 1.543 -3.65 -3.46 1.5909 -3.67 -3.27 -4.7562 -0.9996 3186710 PK04_096086 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E05 compound treatment 1.8963 -3.3 -3.12 2.1421 -3.11 -2.78 -4.172 -0.9983 3186888 PK04_096087 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E06 compound treatment 5.0938 -0.1 -0.09 5.2969 0.0407 0.04 -0.0414 -0.4076 3186565 PK04_096088 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E07 compound treatment 4.1404 -1.05 -1.0 4.2 -1.06 -0.94 -1.3716 -0.9996 3186983 PK04_096089 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E08 compound treatment 5.7906 0.597 0.56 5.722 0.466 0.42 0.6932 0.9886 3067581 PK04_096090 CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E09 mock treatment 5.5706 0.376 0.36 4.0674 -1.19 -1.06 -0.4979 -0.445 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E10 mock treatment 5.5126 0.319 0.3 4.7686 -0.488 -0.44 -0.0944 -0.1783 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E11 compound treatment 3.7824 -1.41 -1.34 3.851 -1.41 -1.25 -1.8314 -0.9995 3186717 PK04_096091 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E12 compound treatment 4.7629 -0.431 -0.41 4.598 -0.658 -0.59 -0.7038 -0.9842 3068221 PK04_096092 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E13 compound treatment 4.2373 -0.957 -0.91 4.7386 -0.518 -0.46 -0.9669 -0.9512 3068273 PK04_096093 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E14 compound treatment 3.1086 -2.09 -1.97 3.4879 -1.77 -1.58 -2.5115 -0.9938 3068377 PK04_096094 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E15 compound treatment 4.7503 -0.444 -0.42 4.7943 -0.462 -0.41 -0.5884 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E16 compound treatment 4.7383 -0.456 -0.43 4.9476 -0.309 -0.28 -0.4997 -0.9765 3186635 PK04_096096 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E17 mock treatment 4.1123 -1.08 -1.02 4.8822 -0.374 -0.33 -0.9601 -0.8914 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E18 mock treatment 4.9724 -0.222 -0.21 4.7373 -0.519 -0.46 -0.4757 -0.936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E19 compound treatment 4.0651 -1.13 -1.07 4.8773 -0.379 -0.34 -0.9947 -0.8874 3186791 PK04_096097 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E20 compound treatment 4.9653 -0.229 -0.22 5.4868 0.231 0.21 -0.0076 -0.0256 3068233 PK04_096098 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E21 compound treatment 4.8917 -0.302 -0.29 4.7558 -0.5 -0.45 -0.5181 -0.9769 3186719 PK04_096099 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)Sc6ccc(C)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E22 compound treatment 3.9331 -1.26 -1.19 4.3726 -0.884 -0.79 -1.4015 -0.9797 3186789 PK04_096100 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E23 compound treatment 4.0306 -1.16 -1.1 3.987 -1.27 -1.13 -1.5795 -0.9999 3186803 PK04_096101 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 E24 compound treatment 3.9159 -1.28 -1.21 4.5397 -0.717 -0.64 -1.3075 -0.9555 3186711 PK04_096102 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F01 mock treatment 4.6216 -0.573 -0.54 4.5827 -0.673 -0.6 -0.8081 -0.9987 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F02 mock treatment 5.8089 0.615 0.58 4.7413 -0.515 -0.46 0.0867 0.1169 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F03 compound treatment 4.8933 -0.301 -0.28 4.1751 -1.08 -0.96 -0.8834 -0.8784 3068521 PK04_096103 CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F04 compound treatment 5.0454 -0.149 -0.14 5.4868 0.231 0.21 0.046 0.1846 3187122 PK04_096104 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F05 compound treatment 3.3196 -1.87 -1.77 4.0017 -1.25 -1.12 -2.0461 -0.9753 3068461 PK04_096105 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F06 compound treatment 5.0959 -0.0982 -0.09 5.4102 0.154 0.14 0.0314 0.1894 3068863 PK04_096106 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F07 compound treatment 4.342 -0.852 -0.81 3.8822 -1.37 -1.23 -1.4372 -0.9794 3187077 PK04_096107 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F08 compound treatment 5.1548 -0.0393 -0.04 4.4264 -0.83 -0.74 -0.5498 -0.7417 3187123 PK04_096108 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CN5CCCC5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F09 mock treatment 4.5072 -0.687 -0.65 5.0 -0.256 -0.23 -0.6213 -0.9016 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F10 mock treatment 5.8324 0.638 0.6 5.3954 0.139 0.12 0.5151 0.835 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F11 compound treatment 4.5399 -0.654 -0.62 4.6199 -0.636 -0.57 -0.8393 -0.9991 3187438 PK04_096109 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F12 compound treatment 4.5342 -0.66 -0.62 5.1681 -0.0881 -0.08 -0.4972 -0.7898 3187124 PK04_096110 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OC)c3ccc(CO)cc3)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F13 compound treatment 3.8861 -1.31 -1.24 4.3276 -0.929 -0.83 -1.4613 -0.9809 3068559 PK04_096111 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4CCCCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F14 compound treatment 4.272 -0.922 -0.87 5.1948 -0.0614 -0.05 -0.6559 -0.75 3068864 PK04_096112 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F15 compound treatment 3.5441 -1.65 -1.56 3.7342 -1.52 -1.36 -2.0646 -0.9976 3186801 PK04_096113 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F16 compound treatment 3.9307 -1.26 -1.2 3.8616 -1.39 -1.24 -1.7254 -0.9998 3187125 PK04_096114 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F17 mock treatment 5.4209 0.227 0.21 4.6964 -0.56 -0.5 -0.2013 -0.3703 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F18 mock treatment 5.1676 -0.0265 -0.03 5.6863 0.43 0.38 0.2536 0.6595 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F19 compound treatment 3.5124 -1.68 -1.59 3.4905 -1.77 -1.58 -2.2395 -1.0 3186718 PK04_096115 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NC6CC6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F20 compound treatment 3.2698 -1.92 -1.82 3.8397 -1.42 -1.26 -2.1816 -0.9841 3068865 PK04_096116 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F21 compound treatment 5.4902 0.296 0.28 5.395 0.139 0.12 0.2858 0.9326 3067569 PK04_096117 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F22 compound treatment 4.7135 -0.481 -0.45 5.7179 0.462 0.41 -0.0303 -0.0494 3187126 PK04_096118 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C=C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F23 compound treatment 3.4188 -1.78 -1.68 4.5271 -0.729 -0.65 -1.6482 -0.9147 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 F24 compound treatment 1.2693 -3.92 -3.72 1.5103 -3.75 -3.34 -4.9903 -0.9986 3187127 PK04_096120 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G01 compound treatment 5.8155 0.621 0.59 6.4782 1.22 1.09 1.187 0.9581 3186434 PK04_096121 CN(C)CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G02 compound treatment 6.2998 1.11 1.05 6.0574 0.801 0.71 1.2456 0.9827 3067602 PK04_096122 CC(C)N1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G03 mock treatment 6.0033 0.809 0.77 5.344 0.0878 0.08 0.597 0.7754 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G04 mock treatment 6.444 1.25 1.18 6.5562 1.3 1.16 1.6568 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G05 compound treatment 4.0447 -1.15 -1.09 3.9912 -1.26 -1.13 -1.5673 -0.9998 3068238 PK04_096123 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G06 compound treatment 4.9398 -0.254 -0.24 6.3632 1.11 0.99 0.5282 0.5196 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G07 compound treatment 4.7616 -0.432 -0.41 4.6905 -0.566 -0.5 -0.6464 -0.9946 3186805 PK04_096125 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G08 compound treatment 2.5162 -2.68 -2.53 2.3364 -2.92 -2.61 -3.6345 -0.9999 3186712 PK04_096126 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G09 compound treatment 6.302 1.11 1.05 5.3453 0.0891 0.08 0.7978 0.7585 3068360 PK04_096127 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G10 compound treatment 5.8924 0.698 0.66 5.9615 0.705 0.63 0.9124 0.9997 3186431 PK04_096128 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N([C@@H]3c4ccc(CO)cc24)C5CCCCC5)c6ccc(cc6)[N+](=O)[O-])cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G11 compound treatment 2.2508 -2.94 -2.79 2.7126 -2.54 -2.27 -3.5747 -0.9948 3186642 PK04_096129 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G12 compound treatment 2.9937 -2.2 -2.08 3.3134 -1.94 -1.73 -2.6985 -0.9958 3068326 PK04_096130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G13 compound treatment 6.1148 0.921 0.87 4.6656 -0.591 -0.53 0.2437 0.2393 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G14 compound treatment 4.9746 -0.219 -0.21 5.3467 0.0905 0.08 -0.0898 -0.4028 3068146 PK04_096132 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G15 compound treatment 4.9128 -0.281 -0.27 5.2005 -0.0557 -0.05 -0.2234 -0.8249 3068195 PK04_096133 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C6CC6)C4=O)c7ccccc7C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G16 compound treatment 4.0882 -1.11 -1.05 4.1808 -1.08 -0.96 -1.4186 -0.9991 3068279 PK04_096134 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G17 compound treatment 5.3388 0.145 0.14 5.1755 -0.0806 -0.07 0.046 0.2973 3068328 PK04_096135 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G18 compound treatment 6.0848 0.891 0.84 4.6936 -0.563 -0.5 0.2413 0.2459 3068311 PK04_096136 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G19 mock treatment 5.094 -0.1 -0.09 5.6379 0.382 0.34 0.1739 0.4918 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G20 mock treatment 5.0438 -0.15 -0.14 5.4709 0.215 0.19 0.0349 0.1462 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G21 compound treatment 4.532 -0.662 -0.63 4.8472 -0.409 -0.36 -0.7012 -0.9669 3068284 PK04_096137 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G22 compound treatment 3.6384 -1.56 -1.47 3.8059 -1.45 -1.29 -1.9562 -0.9979 3186501 PK04_096138 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G23 compound treatment 5.0559 -0.138 -0.13 4.9163 -0.34 -0.3 -0.3069 -0.9293 3186555 PK04_096139 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 G24 compound treatment 2.5029 -2.69 -2.55 3.1572 -2.1 -1.87 -3.1255 -0.9886 3186877 PK04_096140 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H01 compound treatment 4.2646 -0.93 -0.88 4.8118 -0.444 -0.4 -0.9025 -0.9352 3186629 PK04_096141 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H02 compound treatment 5.221 0.0269 0.03 6.6254 1.37 1.22 0.8818 0.7217 3068866 PK04_096142 OCc1ccc(cc1)c2cc[n+](Cc3cc4OCOc4cc3Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H03 mock treatment 5.4 0.206 0.19 5.7048 0.449 0.4 0.4209 0.9453 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H04 mock treatment 5.147 -0.047 -0.04 5.8414 0.585 0.52 0.3377 0.6445 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H05 compound treatment 4.9547 -0.239 -0.23 5.4276 0.171 0.15 -0.0521 -0.1905 3186432 PK04_096143 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H06 compound treatment 6.58 1.39 1.31 6.0278 0.772 0.69 1.4145 0.9547 3068867 PK04_096144 OCc1ccc(cc1)c2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H07 compound treatment 5.0812 -0.113 -0.11 5.5714 0.315 0.28 0.1234 0.4101 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H08 compound treatment 5.2165 0.0225 0.02 5.9172 0.661 0.59 0.4321 0.7321 3068868 PK04_096146 COc1cc2CC[N+](=Cc2cc1O)Cc3sc4ccccc4c3Cl 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H09 compound treatment 5.9669 0.773 0.73 6.2985 1.04 0.93 1.1749 0.993 3186637 PK04_096147 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H10 compound treatment 5.5825 0.388 0.37 5.3659 0.11 0.1 0.3292 0.8652 3187129 PK04_096148 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C4CC4)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H11 compound treatment 6.4939 1.3 1.23 7.0278 1.77 1.58 1.9877 0.9923 3187130 PK04_096149 CC1(C)OB(OC1(C)C)/C=C\CC(OC(=O)c2ccncc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H12 compound treatment 6.021 0.827 0.78 5.4085 0.152 0.14 0.6496 0.8176 3187131 PK04_096150 C[n+]1ccc(cc1)c2ccc(CO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H13 compound treatment 4.4191 -0.775 -0.73 4.1568 -1.1 -0.98 -1.2123 -0.9898 3068898 PK04_096151 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)C)c2ccccc2)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H14 compound treatment 2.6667 -2.53 -2.39 2.7773 -2.48 -2.21 -3.2556 -0.9992 3187132 PK04_096152 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H15 compound treatment 3.0426 -2.15 -2.04 3.1712 -2.08 -1.86 -2.7554 -0.999 3187133 PK04_096153 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H16 compound treatment 1.7166 -3.48 -3.29 1.9629 -3.29 -2.94 -4.4053 -0.9984 3187134 PK04_096154 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C2)c6cccs6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H17 compound treatment 3.0216 -2.17 -2.06 3.3944 -1.86 -1.66 -2.6287 -0.9944 3068899 PK04_096155 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)c3ccncc3)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H18 compound treatment 4.9747 -0.219 -0.21 6.3854 1.13 1.01 0.5656 0.5498 3068900 PK04_096156 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C5CC5)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H19 mock treatment 5.5813 0.387 0.37 5.2141 -0.0421 -0.04 0.2326 0.6313 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H20 mock treatment 4.9548 -0.239 -0.23 5.8536 0.597 0.53 0.2168 0.3744 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H21 compound treatment 6.3892 1.2 1.13 6.4733 1.22 1.09 1.5678 0.9998 3187204 PK04_096157 CC(C)(C)OC(=O)COc1cccc(c1)C(=O)CCN2CCOCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H22 compound treatment 5.5884 0.394 0.37 5.7632 0.507 0.45 0.5838 0.9954 3187205 PK04_096158 OCCCc1cc[n+](Cc2cc3OCOc3cc2Br)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H23 compound treatment 8.3878 3.19 3.02 8.4775 3.22 2.87 4.17 0.9997 3068901 PK04_096159 COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 H24 compound treatment 4.889 -0.305 -0.29 5.5427 0.286 0.26 -0.0234 -0.0608 3187206 PK04_096160 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I01 compound treatment 5.7226 0.528 0.5 5.7716 0.515 0.46 0.6789 0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I02 compound treatment 6.047 0.853 0.81 5.8634 0.607 0.54 0.954 0.9812 3186628 PK04_096162 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I03 compound treatment 4.9152 -0.279 -0.26 4.6818 -0.574 -0.51 -0.549 -0.9524 3186882 PK04_096163 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I04 compound treatment 5.3278 0.134 0.13 5.4538 0.198 0.18 0.2142 0.9868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I05 mock treatment 5.037 -0.157 -0.15 5.754 0.498 0.44 0.2089 0.4461 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I06 mock treatment 5.1149 -0.0791 -0.07 6.2112 0.955 0.85 0.5496 0.6425 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I07 compound treatment 6.1659 0.972 0.92 4.8798 -0.376 -0.34 0.4131 0.4218 3186430 PK04_096165 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(C5CC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I08 compound treatment 1.8125 -3.38 -3.2 2.122 -3.13 -2.8 -4.2407 -0.9977 3186557 PK04_096166 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I09 compound treatment 2.1475 -3.05 -2.88 2.3947 -2.86 -2.55 -3.8445 -0.9982 3186558 PK04_096167 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I10 compound treatment 3.4789 -1.72 -1.62 4.0718 -1.18 -1.06 -1.8952 -0.9784 3068320 PK04_096168 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I11 compound treatment 4.4408 -0.753 -0.71 4.3159 -0.94 -0.84 -1.0974 -0.9967 3068364 PK04_096169 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I12 compound treatment 1.7203 -3.47 -3.29 1.9381 -3.32 -2.96 -4.4185 -0.9986 3186489 PK04_096170 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I13 compound treatment 3.5265 -1.67 -1.58 3.5803 -1.68 -1.5 -2.1735 -0.9996 3186807 PK04_096171 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I14 compound treatment 3.2462 -1.95 -1.84 3.3681 -1.89 -1.68 -2.495 -0.999 3068281 PK04_096172 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I15 compound treatment 5.5388 0.345 0.33 5.5169 0.261 0.23 0.3953 0.9862 3186567 PK04_096173 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I16 compound treatment 5.0517 -0.142 -0.13 5.5177 0.262 0.23 0.0697 0.2588 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I17 compound treatment 3.1682 -2.03 -1.92 3.719 -1.54 -1.37 -2.3258 -0.9865 3186973 PK04_096175 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I18 compound treatment 3.5805 -1.61 -1.53 3.5134 -1.74 -1.55 -2.1795 -1.0 3068148 PK04_096176 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I19 compound treatment 2.6259 -2.57 -2.43 3.3672 -1.89 -1.69 -2.9107 -0.984 3068239 PK04_096177 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I20 compound treatment 4.2194 -0.975 -0.92 5.2558 -4.05E-4 0.0 -0.6527 -0.7074 3068268 PK04_096178 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I21 mock treatment 5.9772 0.783 0.74 5.4158 0.16 0.14 0.6249 0.8278 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I22 mock treatment 5.4672 0.273 0.26 5.4114 0.155 0.14 0.2808 0.9572 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I23 compound treatment 5.0422 -0.152 -0.14 5.8449 0.589 0.53 0.2697 0.4953 3186564 PK04_096179 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 I24 compound treatment 2.7931 -2.4 -2.27 3.0619 -2.19 -1.96 -2.9914 -0.9972 3068366 PK04_096180 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J01 compound treatment 4.1676 -1.03 -0.97 4.3227 -0.933 -0.83 -1.276 -0.9971 1230870 PK04_096181 Oc1cccc(c1)C(=O)CCN2CCOCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J02 compound treatment 5.6837 0.49 0.46 5.5333 0.277 0.25 0.5026 0.9567 3187207 PK04_096182 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)C3CC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J03 compound treatment 5.2978 0.104 0.1 5.0688 -0.187 -0.17 -0.0488 -0.2516 3068902 PK04_096183 COc1ccc(CC[C@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J04 compound treatment 5.6204 0.426 0.4 5.3241 0.0679 0.06 0.3282 0.8042 3187208 PK04_096184 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J05 mock treatment 5.6287 0.435 0.41 5.4153 0.159 0.14 0.3913 0.899 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J06 mock treatment 5.7593 0.565 0.54 5.3305 0.0744 0.07 0.4252 0.7888 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J07 compound treatment 5.4936 0.3 0.28 6.2851 1.03 0.92 0.8497 0.8843 3187209 PK04_096185 CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c5cccc(O)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J08 compound treatment 2.6512 -2.54 -2.41 2.916 -2.34 -2.09 -3.1784 -0.9975 3068903 PK04_096186 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J09 compound treatment 5.1705 -0.0236 -0.02 5.1189 -0.137 -0.12 -0.1024 -0.8225 1032549 PK04_096187 CCOC(=O)C1CCCCN1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J10 compound treatment 5.1513 -0.0427 -0.04 4.9834 -0.273 -0.24 -0.2007 -0.8135 3187210 PK04_096188 COc1cc2CCN(C)C(C=C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J11 compound treatment 5.0756 -0.118 -0.11 5.6169 0.361 0.32 0.1483 0.4352 3187211 PK04_096189 CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J12 compound treatment 5.8249 0.631 0.6 6.2743 1.02 0.91 1.0646 0.9793 3187212 PK04_096190 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4ccc(CN5CCCC5)cc4)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J13 compound treatment 4.7553 -0.439 -0.42 4.8235 -0.433 -0.39 -0.5666 -0.9993 3068904 PK04_096191 [O-][N+](=O)c1cc(Br)ccc1C(=O)NCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J14 compound treatment 4.5821 -0.612 -0.58 4.7458 -0.51 -0.46 -0.7316 -0.9929 3068905 PK04_096192 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C=C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J15 compound treatment 5.5693 0.375 0.36 5.5969 0.341 0.3 0.4661 0.997 3187213 PK04_096193 CC(=O)Nc1cc(Br)ccc1C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J16 compound treatment 5.0393 -0.155 -0.15 5.12 -0.136 -0.12 -0.1895 -0.9957 3187214 PK04_096194 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5cccs5)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J17 compound treatment 4.6211 -0.573 -0.54 5.89 0.634 0.57 0.0163 0.0208 3068906 PK04_096195 CC(=O)Nc1cc(Br)ccc1C(=O)NCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J18 compound treatment 5.7255 0.531 0.5 5.2692 0.0131 0.01 0.3639 0.7233 3187215 PK04_096196 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5cccs5)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J19 compound treatment 4.5382 -0.656 -0.62 5.3036 0.0474 0.04 -0.4091 -0.6574 3068907 PK04_096197 Brc1ccc2c(=O)oc(nc2c1)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J20 compound treatment 4.5676 -0.626 -0.59 5.5534 0.297 0.27 -0.2318 -0.3568 3187216 PK04_096198 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4ccc(CN5CCCC5)cc4)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J21 mock treatment 4.8294 -0.365 -0.35 6.5322 1.28 1.14 0.5609 0.4715 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J22 mock treatment 5.7056 0.512 0.48 5.9531 0.697 0.62 0.7821 0.9924 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J23 compound treatment 5.0168 -0.177 -0.17 5.4504 0.194 0.17 0.0039 0.0162 3068908 PK04_096199 Nc1cc(Br)ccc1C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 J24 compound treatment 5.1327 -0.0614 -0.06 6.0637 0.808 0.72 0.4684 0.648 3068910 PK04_096200 Oc1ccc2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K01 compound treatment 4.5875 -0.607 -0.57 4.1714 -1.08 -0.97 -1.0903 -0.9689 3068198 PK04_096201 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(Cc6ccccc6)C4=O)c7ccccc7C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K02 compound treatment 3.8482 -1.35 -1.27 3.4442 -1.81 -1.62 -2.044 -0.993 3186870 PK04_096202 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K03 compound treatment 5.143 -0.051 -0.05 4.5043 -0.752 -0.67 -0.5085 -0.7561 3068155 PK04_096203 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K04 compound treatment 5.0492 -0.145 -0.14 5.6895 0.433 0.39 0.1764 0.4299 3186875 PK04_096204 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K05 compound treatment 5.2566 0.0625 0.06 5.2235 -0.0327 -0.03 0.0212 0.3214 3068359 PK04_096205 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K06 compound treatment 2.3396 -2.85 -2.7 2.6572 -2.6 -2.32 -3.5503 -0.9971 3186626 PK04_096206 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(F)(F)F)C4=O)c6ccccc6C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K07 mock treatment 4.9264 -0.268 -0.25 5.8723 0.616 0.55 0.2095 0.3462 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K08 mock treatment 5.7025 0.508 0.48 5.8666 0.61 0.54 0.7254 0.9981 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K09 compound treatment 2.4526 -2.74 -2.6 3.2242 -2.03 -1.81 -3.1169 -0.9846 3186869 PK04_096207 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K10 compound treatment 6.0789 0.885 0.84 5.8484 0.592 0.53 0.9659 0.9753 3068235 PK04_096208 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K11 compound treatment 4.528 -0.666 -0.63 5.8956 0.639 0.57 -0.0424 -0.0499 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K12 compound treatment 2.8106 -2.38 -2.26 2.9644 -2.29 -2.04 -3.0412 -0.9988 3068411 PK04_096210 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K13 compound treatment 2.2289 -2.97 -2.81 2.3318 -2.92 -2.61 -3.8297 -0.9993 3068329 PK04_096211 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K14 compound treatment 5.9933 0.799 0.76 6.0996 0.843 0.75 1.0671 1.0 3067608 PK04_096212 COCCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K15 mock treatment 5.2989 0.105 0.1 6.5109 1.25 1.12 0.8618 0.7668 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K16 mock treatment 4.6413 -0.553 -0.52 5.5898 0.334 0.3 -0.1595 -0.265 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K17 compound treatment 4.9973 -0.197 -0.19 5.8399 0.584 0.52 0.2366 0.4277 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K18 compound treatment 4.8071 -0.387 -0.37 5.5298 0.274 0.24 -0.0864 -0.1962 3186636 PK04_096214 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K19 compound treatment 4.1734 -1.02 -0.97 4.6203 -0.636 -0.57 -1.0843 -0.9678 3186793 PK04_096215 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K20 compound treatment 5.3827 0.189 0.18 6.061 0.805 0.72 0.634 0.8569 3186637 PK04_096216 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K21 compound treatment 4.7621 -0.432 -0.41 5.3317 0.0755 0.07 -0.2415 -0.5828 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K22 compound treatment 5.389 0.195 0.18 5.0698 -0.186 -0.17 0.0129 0.052 3186873 PK04_096218 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K23 mock treatment 5.0969 -0.0972 -0.09 4.9712 -0.285 -0.25 -0.2448 -0.9055 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 K24 mock treatment 4.9574 -0.237 -0.22 5.0193 -0.237 -0.21 -0.3078 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L01 compound treatment 6.3993 1.21 1.14 5.3161 0.0599 0.05 0.8445 0.7394 3068940 PK04_096219 Cc1nc2cc(Br)ccc2c(=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L02 compound treatment 5.5392 0.345 0.33 4.9369 -0.319 -0.28 0.0296 0.0683 3187217 PK04_096220 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L03 compound treatment 5.4842 0.29 0.27 5.9063 0.65 0.58 0.6044 0.9417 3068941 PK04_096221 CC(C)c1nc2cc(Br)ccc2c(=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L04 compound treatment 5.6257 0.432 0.41 5.6559 0.4 0.36 0.5411 0.9977 3068942 PK04_096222 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L05 compound treatment 5.2803 0.0862 0.08 5.4125 0.156 0.14 0.1564 0.9675 3187218 PK04_096223 Cc1nc2cc(Br)ccc2c(=O)n1Cc3cccc(O)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L06 compound treatment 5.694 0.5 0.47 5.5496 0.293 0.26 0.5198 0.961 3068943 PK04_096224 COc1cc2CCN(C)C(c3cccs3)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L07 mock treatment 5.6369 0.443 0.42 5.1881 -0.0681 -0.06 0.2534 0.5984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L08 mock treatment 5.0324 -0.162 -0.15 5.231 -0.0252 -0.02 -0.1241 -0.8022 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L09 compound treatment 4.1372 -1.06 -1.0 4.6747 -0.581 -0.52 -1.0743 -0.9532 3187219 PK04_096225 Oc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)c3ccccc3)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L10 compound treatment 3.234 -1.96 -1.86 3.2841 -1.97 -1.76 -2.5561 -0.9996 3187220 PK04_096226 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L11 compound treatment 9.5805 4.39 4.15 7.8811 2.62 2.34 4.5921 0.9633 3068944 PK04_096227 Oc1cccc(Cn2c(nc3cc(Br)ccc3c2=O)c4ccccc4)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L12 compound treatment 4.9038 -0.29 -0.27 4.9812 -0.275 -0.25 -0.3677 -0.9984 3187221 PK04_096228 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L13 compound treatment 8.6157 3.42 3.24 8.0821 2.83 2.52 4.0731 0.9923 1980253 PK04_096229 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2)/C#N)c(=O)n(c3ccccc3)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L14 compound treatment 4.8033 -0.391 -0.37 5.6865 0.43 0.38 0.0099 0.0186 3068945 PK04_096230 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L15 mock treatment 4.6126 -0.581 -0.55 5.634 0.378 0.34 -0.1508 -0.2337 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L16 mock treatment 5.0222 -0.172 -0.16 5.7462 0.49 0.44 0.1942 0.4162 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L17 compound treatment 4.7119 -0.482 -0.46 4.43 -0.826 -0.74 -0.844 -0.9734 3187222 PK04_096231 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L18 compound treatment 3.0242 -2.17 -2.05 2.9299 -2.33 -2.08 -2.92 -1.0 3187223 PK04_096232 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6cccs6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L19 compound treatment 7.9134 2.72 2.57 7.663 2.41 2.15 3.3386 0.9959 3068946 PK04_096233 Cc1c(NC(=O)/C(=C/C=C/c2ccc(cc2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L20 compound treatment 4.2133 -0.981 -0.93 5.0401 -0.216 -0.19 -0.7928 -0.8361 3187224 PK04_096234 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L21 compound treatment 8.1402 2.95 2.79 7.9988 2.74 2.45 3.7023 0.9979 3068947 PK04_096235 CN(C)c1ccc(/C=C/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L22 compound treatment 5.2603 0.0662 0.06 5.3249 0.0688 0.06 0.0877 0.9999 3187225 PK04_096236 COc1cc2CCN(C)C(C3CC3)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L23 mock treatment 4.9004 -0.294 -0.28 6.2619 1.01 0.9 0.4379 0.4662 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 L24 mock treatment 4.9385 -0.256 -0.24 5.8406 0.584 0.52 0.1977 0.3439 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M01 compound treatment 3.6041 -1.59 -1.51 3.1252 -2.13 -1.9 -2.4086 -0.9933 3186502 PK04_096237 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M02 compound treatment 3.3832 -1.81 -1.71 2.7586 -2.5 -2.23 -2.7878 -0.9916 3186497 PK04_096238 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC(C)C)c5ccccc5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M03 compound treatment 4.6924 -0.502 -0.47 4.3451 -0.911 -0.81 -0.9106 -0.9672 3068404 PK04_096239 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M04 compound treatment 1.8469 -3.35 -3.17 1.7098 -3.55 -3.16 -4.4778 -1.0 3186643 PK04_096240 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M05 compound treatment 4.5652 -0.629 -0.6 3.3917 -1.86 -1.66 -1.5972 -0.904 3186723 PK04_096241 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M06 compound treatment 3.3288 -1.87 -1.77 3.511 -1.75 -1.56 -2.3495 -0.998 3186868 PK04_096242 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M07 compound treatment 4.973 -0.221 -0.21 4.9813 -0.275 -0.25 -0.3214 -0.9969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M08 compound treatment 5.8795 0.685 0.65 5.246 -0.0102 -0.01 0.4524 0.6971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M09 mock treatment 5.4113 0.217 0.21 4.9 -0.356 -0.32 -0.0793 -0.2095 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M10 mock treatment 5.8972 0.703 0.67 4.8006 -0.456 -0.41 0.1833 0.235 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M11 compound treatment 2.5391 -2.66 -2.51 2.4395 -2.82 -2.51 -3.5541 -1.0 3186496 PK04_096245 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M12 compound treatment 4.1436 -1.05 -0.99 3.4009 -1.86 -1.66 -1.8736 -0.9703 3068379 PK04_096246 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M13 mock treatment 6.5177 1.32 1.25 5.0461 -0.21 -0.19 0.7534 0.5947 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M14 mock treatment 5.3071 0.113 0.11 5.2038 -0.0524 -0.05 0.0426 0.3649 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M15 compound treatment 5.818 0.624 0.59 5.5933 0.337 0.3 0.6304 0.951 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M16 compound treatment 1.9323 -3.26 -3.09 1.9374 -3.32 -2.96 -4.277 -0.9998 3186886 PK04_096248 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M17 compound treatment 3.4278 -1.77 -1.67 3.677 -1.58 -1.41 -2.1785 -0.9964 3068154 PK04_096249 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M18 compound treatment 3.149 -2.05 -1.94 3.0977 -2.16 -1.93 -2.7306 -1.0 3068369 PK04_096250 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M19 compound treatment 3.9223 -1.27 -1.2 4.8156 -0.441 -0.39 -1.1292 -0.8917 3186727 PK04_096251 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M20 compound treatment 2.8586 -2.34 -2.21 2.8559 -2.4 -2.14 -3.0775 -0.9999 3186984 PK04_096252 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M21 compound treatment 2.948 -2.25 -2.13 2.5551 -2.7 -2.41 -3.2075 -0.998 3068372 PK04_096253 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M22 compound treatment 4.4165 -0.778 -0.74 4.622 -0.634 -0.57 -0.9205 -0.9916 3186721 PK04_096254 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCC(F)(F)F)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M23 compound treatment 4.4422 -0.752 -0.71 5.337 0.0808 0.07 -0.4523 -0.6322 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 M24 compound treatment 4.5193 -0.675 -0.64 4.4391 -0.817 -0.73 -0.9671 -0.9978 3068283 PK04_096256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N01 compound treatment 6.5559 1.36 1.29 6.4402 1.18 1.06 1.6585 0.9951 1694663 PK04_096257 Cc1c(NC(=O)CC#N)c(=O)n(c2ccccc2)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N02 compound treatment 5.401 0.207 0.2 4.7495 -0.507 -0.45 -0.1811 -0.3677 3187226 PK04_096258 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C)C=C(CCCO)C=C1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N03 compound treatment 5.496 0.302 0.29 5.3446 0.0884 0.08 0.2578 0.8697 3068949 PK04_096259 Cc1ccccc1/C=C/C=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N04 compound treatment 5.3698 0.176 0.17 5.8302 0.574 0.51 0.4798 0.891 3187227 PK04_096260 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2ccc(CN3CCCC3)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N05 compound treatment 6.0314 0.837 0.79 5.2258 -0.0303 -0.03 0.5413 0.6826 3068950 PK04_096261 CCOc1ccc(cc1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N06 compound treatment 5.3437 0.15 0.14 5.887 0.631 0.56 0.4981 0.8583 3187228 PK04_096262 Oc1ccc2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N07 compound treatment 4.649 -0.545 -0.52 5.4552 0.199 0.18 -0.2393 -0.4386 3068951 PK04_096263 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N08 compound treatment 5.7795 0.585 0.55 4.9829 -0.273 -0.24 0.2195 0.3625 3187299 PK04_096264 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4cccs4)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N09 mock treatment 5.2271 0.0331 0.03 4.8398 -0.416 -0.37 -0.2405 -0.6452 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N10 mock treatment 6.223 1.03 0.97 4.6733 -0.583 -0.52 0.321 0.2907 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N11 compound treatment 5.6624 0.468 0.44 6.4603 1.2 1.07 1.0731 0.9234 3068985 PK04_096265 Cc1cc(C)cc(c1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N12 compound treatment 4.7583 -0.436 -0.41 5.0424 -0.214 -0.19 -0.4265 -0.9386 3187300 PK04_096266 COc1cc2CCN(C)C(c3ccc(CN4CCCC4)cc3)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N13 mock treatment 6.0208 0.827 0.78 5.5463 0.29 0.26 0.7364 0.8934 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N14 mock treatment 4.2346 -0.959 -0.91 5.7795 0.523 0.47 -0.312 -0.3055 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N15 compound treatment 5.3713 0.177 0.17 6.0172 0.761 0.68 0.5988 0.8561 3068986 PK04_096267 COc1ccc(/C=C/C=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N16 compound treatment 5.2625 0.0684 0.06 5.7444 0.488 0.44 0.3538 0.8034 3187301 PK04_096268 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N17 compound treatment 5.9142 0.72 0.68 5.509 0.253 0.23 0.6415 0.8934 3068987 PK04_096269 Cc1cccc(/C=C/C=O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N18 compound treatment 5.6308 0.437 0.41 5.4403 0.184 0.16 0.4085 0.9183 3068988 PK04_096270 OCCCc1cc[n+](Cc2sc3ccccc3c2Cl)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N19 compound treatment 5.8739 0.68 0.64 6.0308 0.775 0.69 0.9438 0.9994 3068989 PK04_096271 Cc1ccc(/C=C/C=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N20 compound treatment 3.5444 -1.65 -1.56 3.7739 -1.48 -1.32 -2.0393 -0.9966 3187302 PK04_096272 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N21 compound treatment 6.519 1.32 1.25 5.461 0.205 0.18 1.016 0.8017 3068990 PK04_096273 COc1cccc(/C=C/C=O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N22 compound treatment 6.0109 0.817 0.77 5.951 0.695 0.62 0.9851 0.994 3068991 PK04_096274 Oc1ccc2cc[n+](Cc3cc4OCOc4cc3Br)cc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N23 compound treatment 5.8953 0.701 0.66 7.0166 1.76 1.57 1.58 0.9266 3187303 PK04_096275 Clc1ccccc1/C=C/C=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 N24 compound treatment 2.3823 -2.81 -2.66 2.1176 -3.14 -2.8 -3.8621 -0.9997 3187304 PK04_096276 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)C5CC5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O01 compound treatment 4.2211 -0.973 -0.92 4.6457 -0.61 -0.54 -1.0364 -0.9686 3186631 PK04_096277 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O02 compound treatment 5.1935 -5.63E-4 0.0 4.212 -1.04 -0.93 -0.6591 -0.7075 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O03 compound treatment 5.0583 -0.136 -0.13 4.9063 -0.35 -0.31 -0.3116 -0.9231 3186715 PK04_096279 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O04 compound treatment 5.0874 -0.107 -0.1 4.1914 -1.06 -0.95 -0.7432 -0.7779 3068363 PK04_096280 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O05 compound treatment 3.9704 -1.22 -1.16 4.5918 -0.664 -0.59 -1.2382 -0.9516 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O06 compound treatment 3.9149 -1.28 -1.21 5.5818 0.326 0.29 -0.6508 -0.5226 3068196 PK04_096282 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCN6CCOCC6)C4=O)c7ccccc7C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O07 compound treatment 3.4864 -1.71 -1.62 3.8509 -1.41 -1.25 -2.0296 -0.9921 3068277 PK04_096283 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O08 compound treatment 3.9721 -1.22 -1.16 3.6248 -1.63 -1.46 -1.8472 -0.9935 3186720 PK04_096284 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O09 compound treatment 4.8752 -0.319 -0.3 4.953 -0.303 -0.27 -0.4047 -0.9985 3186632 PK04_096285 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O10 compound treatment 6.156 0.962 0.91 4.6729 -0.583 -0.52 0.2759 0.263 3068157 PK04_096286 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(C5CCCCC5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O11 mock treatment 4.3672 -0.827 -0.78 4.2443 -1.01 -0.9 -1.1919 -0.9975 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O12 mock treatment 4.4826 -0.711 -0.67 4.5277 -0.728 -0.65 -0.9358 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O13 compound treatment 4.0991 -1.09 -1.04 3.8755 -1.38 -1.23 -1.6039 -0.9963 3186874 PK04_096287 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O14 compound treatment 4.3255 -0.869 -0.82 4.9917 -0.264 -0.24 -0.7482 -0.8747 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O15 compound treatment 3.2481 -1.95 -1.84 3.5961 -1.66 -1.48 -2.3498 -0.9942 3186972 PK04_096289 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O16 compound treatment 4.9427 -0.251 -0.24 4.8568 -0.399 -0.36 -0.4202 -0.9807 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O17 compound treatment 2.7853 -2.41 -2.28 3.313 -1.94 -1.73 -2.8382 -0.9909 3186709 PK04_096291 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O18 compound treatment 3.6448 -1.55 -1.47 3.6805 -1.58 -1.41 -2.0311 -0.9998 3186725 PK04_096292 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O19 compound treatment 3.3016 -1.89 -1.79 2.923 -2.33 -2.08 -2.7387 -0.9972 3068321 PK04_096293 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O20 compound treatment 4.7566 -0.437 -0.41 4.3844 -0.872 -0.78 -0.8428 -0.9564 3068192 PK04_096294 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O21 compound treatment 3.1168 -2.08 -1.97 3.0476 -2.21 -1.97 -2.7837 -1.0 3068201 PK04_096295 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O22 compound treatment 2.1794 -3.01 -2.85 2.2387 -3.02 -2.69 -3.9215 -0.9996 3068381 PK04_096296 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O23 compound treatment 2.5327 -2.66 -2.52 2.9661 -2.29 -2.04 -3.2261 -0.9946 3186880 PK04_096297 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCc6ccccc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 O24 compound treatment 4.3704 -0.824 -0.78 3.4804 -1.78 -1.58 -1.6716 -0.9467 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P01 compound treatment 5.7673 0.573 0.54 5.9273 0.671 0.6 0.8071 0.9988 3068992 PK04_096299 Cc1c(NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P02 compound treatment 5.0912 -0.103 -0.1 4.8477 -0.408 -0.36 -0.3266 -0.8657 3187305 PK04_096300 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)C2CC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P03 compound treatment 5.1674 -0.0267 -0.03 4.499 -0.757 -0.68 -0.4956 -0.733 3187306 PK04_096301 COc1cccc(/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P04 compound treatment 4.5408 -0.653 -0.62 4.1508 -1.11 -0.99 -1.1346 -0.9747 3068993 PK04_096302 COc1cc2CC[N+](=Cc2cc1O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P05 compound treatment 5.2193 0.0252 0.02 5.7224 0.466 0.42 0.311 0.7465 3068994 PK04_096303 Cc1c(NC(=O)/C(=C/c2ccccc2Cl)/C#N)c(=O)n(c3ccccc3)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P06 compound treatment 4.6741 -0.52 -0.49 4.5563 -0.7 -0.62 -0.7896 -0.9931 3187307 PK04_096304 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4cccs4)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P07 compound treatment 5.5042 0.31 0.29 4.7194 -0.537 -0.48 -0.1311 -0.2334 3187308 PK04_096305 Cc1c(NC(=O)/C(=C/c2ccc(Cl)cc2)/C#N)c(=O)n(c3ccccc3)n1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P08 compound treatment 4.7816 -0.412 -0.39 4.3971 -0.859 -0.77 -0.818 -0.951 3068995 PK04_096306 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P09 compound treatment 4.3537 -0.84 -0.8 3.8129 -1.44 -1.29 -1.4731 -0.9732 1972122 PK04_096307 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P10 compound treatment 4.2571 -0.937 -0.89 3.9311 -1.33 -1.18 -1.4631 -0.99 3187309 PK04_096308 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P11 mock treatment 4.348 -0.846 -0.8 3.8131 -1.44 -1.29 -1.4767 -0.9739 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P12 mock treatment 4.5129 -0.681 -0.64 4.1931 -1.06 -0.95 -1.1266 -0.9823 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P13 compound treatment 4.6605 -0.534 -0.51 4.7477 -0.508 -0.45 -0.678 -0.9986 3068996 PK04_096309 Clc1ccc(/C=C/C=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P14 compound treatment 4.6919 -0.502 -0.48 4.3845 -0.872 -0.78 -0.886 -0.9721 3187310 PK04_096310 COc1cc2CC[N+](=Cc2cc1O)Cc3cccc(OC(F)(F)F)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P15 compound treatment 4.8168 -0.377 -0.36 4.4215 -0.835 -0.74 -0.7791 -0.9433 3068997 PK04_096311 O=C/C=C/c1ccc2OCOc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P16 compound treatment 4.7363 -0.458 -0.43 4.7653 -0.491 -0.44 -0.6161 -1.0 3187311 PK04_096312 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3ccc(CN4CCCC4)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P17 compound treatment 7.9807 2.79 2.64 6.5754 1.32 1.18 2.6975 0.9339 3068998 PK04_096313 O=C/C=C/c1ccc(cc1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P18 compound treatment 2.0613 -3.13 -2.97 2.0573 -3.2 -2.85 -4.115 -0.9998 3187312 PK04_096314 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P19 compound treatment 9.141 3.95 3.74 6.9461 1.69 1.51 3.708 0.9204 3187313 PK04_096315 O=C/C=C/c1ccc(\C=C\c2ccccc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P20 compound treatment 3.8504 -1.34 -1.27 4.0939 -1.16 -1.04 -1.6326 -0.9949 3187314 PK04_096316 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4cccs4)c2cc1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P21 compound treatment 4.4666 -0.727 -0.69 4.4481 -0.808 -0.72 -0.9967 -0.9997 3069028 PK04_096317 [O-][N+](=O)c1cccc(c1)C2N(C(=O)CS2(=O)=O)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P22 compound treatment 4.4934 -0.701 -0.66 5.0636 -0.193 -0.17 -0.5905 -0.8618 3187315 PK04_096318 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P23 compound treatment 4.1545 -1.04 -0.98 3.5805 -1.68 -1.5 -1.753 -0.9794 3069029 PK04_096319 CCOc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2096 P24 compound treatment 3.8198 -1.37 -1.3 4.0599 -1.2 -1.07 -1.6745 -0.9952 3187316 PK04_096320 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)C3CC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A01 compound treatment 7.2387 1.96 1.85 6.4614 1.4 1.25 2.1951 0.9815 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A02 compound treatment 6.4896 1.21 1.15 5.4145 0.354 0.32 1.0332 0.8696 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A03 compound treatment 5.0265 -0.253 -0.24 5.9206 0.86 0.77 0.3732 0.4643 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A04 compound treatment 5.9148 0.635 0.6 4.1223 -0.938 -0.84 -0.1667 -0.1618 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A05 compound treatment 6.1403 0.861 0.81 5.4763 0.416 0.37 0.8384 0.9365 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A06 compound treatment 5.3397 0.0602 0.06 5.0143 -0.0463 -0.04 0.0111 0.1574 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A07 compound treatment 4.1648 -1.11 -1.06 3.9336 -1.13 -1.01 -1.4571 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A08 compound treatment 5.153 -0.126 -0.12 5.1808 0.12 0.11 -0.0089 -0.0552 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A09 compound treatment 4.17 -1.11 -1.05 4.2067 -0.854 -0.76 -1.2814 -0.9876 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A10 compound treatment 6.6631 1.38 1.31 4.866 -0.195 -0.17 0.8032 0.608 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A11 compound treatment 4.4131 -0.866 -0.82 4.2493 -0.811 -0.72 -1.0918 -0.9981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A12 compound treatment 5.4592 0.18 0.17 5.2616 0.201 0.18 0.2471 0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A13 mock treatment 5.8019 0.522 0.49 5.0075 -0.0531 -0.05 0.3161 0.6364 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A14 mock treatment 5.6271 0.348 0.33 5.2282 0.168 0.15 0.3384 0.9363 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A15 compound treatment 3.8239 -1.46 -1.38 4.6142 -0.446 -0.4 -1.256 -0.8757 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A16 compound treatment 5.9282 0.649 0.61 4.8612 -0.199 -0.18 0.3084 0.4823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A17 compound treatment 4.8892 -0.39 -0.37 3.8153 -1.25 -1.11 -1.0469 -0.8941 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A18 compound treatment 5.7427 0.463 0.44 5.4289 0.368 0.33 0.5424 0.9899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A19 compound treatment 5.4243 0.145 0.14 4.7289 -0.332 -0.3 -0.1124 -0.3446 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A20 compound treatment 5.2626 -0.0169 -0.02 4.3326 -0.728 -0.65 -0.4707 -0.7243 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A21 compound treatment 5.9184 0.639 0.6 5.4566 0.396 0.35 0.6775 0.9672 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A22 compound treatment 6.4401 1.16 1.1 5.4824 0.422 0.38 1.0429 0.8981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A23 compound treatment 2.6861 -2.59 -2.45 1.9844 -3.08 -2.74 -3.6766 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 A24 compound treatment 5.2554 -0.0241 -0.02 4.9825 -0.0782 -0.07 -0.0655 -0.8919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B01 compound treatment 6.1399 0.86 0.81 4.8146 -0.246 -0.22 0.4207 0.4987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B02 compound treatment 4.157 -1.12 -1.06 3.2441 -1.82 -1.62 -1.8974 -0.979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B03 compound treatment 5.2443 -0.0352 -0.03 5.1092 0.0485 0.04 0.0071 0.1292 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B04 compound treatment 4.7078 -0.572 -0.54 5.1734 0.113 0.1 -0.3115 -0.5659 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B05 compound treatment 4.2193 -1.06 -1.0 4.847 -0.214 -0.19 -0.8445 -0.8267 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B06 compound treatment 4.9287 -0.351 -0.33 4.3598 -0.701 -0.63 -0.677 -0.9561 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B07 compound treatment 3.9901 -1.29 -1.22 3.9868 -1.07 -0.96 -1.5405 -0.9928 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B08 compound treatment 4.3621 -0.917 -0.87 4.5314 -0.529 -0.47 -0.948 -0.959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B09 compound treatment 5.5404 0.261 0.25 5.9627 0.902 0.8 0.7437 0.8834 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B10 compound treatment 3.2943 -1.99 -1.88 3.1013 -1.96 -1.75 -2.5649 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B11 compound treatment 4.5592 -0.72 -0.68 4.7934 -0.267 -0.24 -0.6508 -0.9009 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B12 compound treatment 4.6323 -0.647 -0.61 4.8487 -0.212 -0.19 -0.5669 -0.8842 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B13 mock treatment 6.366 1.09 1.03 5.2415 0.181 0.16 0.8414 0.8082 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B14 mock treatment 6.8234 1.54 1.46 4.9237 -0.137 -0.12 0.947 0.6457 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B15 compound treatment 6.1033 0.824 0.78 4.7727 -0.288 -0.26 0.3697 0.4503 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B16 compound treatment 3.8727 -1.41 -1.33 3.4533 -1.61 -1.43 -1.9557 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B17 compound treatment 5.4858 0.206 0.2 5.0892 0.0285 0.03 0.156 0.7926 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B18 compound treatment 5.7952 0.516 0.49 4.7186 -0.342 -0.31 0.1294 0.2248 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B19 compound treatment 6.7019 1.42 1.35 5.6553 0.595 0.53 1.3272 0.9171 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B20 compound treatment 4.7291 -0.55 -0.52 4.2538 -0.807 -0.72 -0.8775 -0.9874 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B21 compound treatment 6.9921 1.71 1.62 6.0537 0.993 0.89 1.7729 0.9596 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B22 compound treatment 5.6041 0.325 0.31 5.7231 0.662 0.59 0.6352 0.9535 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B23 compound treatment 5.8727 0.593 0.56 5.5 0.439 0.39 0.6742 0.9846 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 B24 compound treatment 4.2876 -0.992 -0.94 5.0387 -0.0219 -0.02 -0.6778 -0.7217 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C01 compound treatment 6.0209 0.741 0.7 4.8349 -0.226 -0.2 0.3538 0.4846 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C02 compound treatment 5.0919 -0.188 -0.18 5.629 0.568 0.51 0.233 0.4336 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C03 compound treatment 5.4196 0.14 0.13 5.8963 0.836 0.75 0.621 0.82 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C04 compound treatment 4.3975 -0.882 -0.83 5.9485 0.888 0.79 -0.0302 -0.0263 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C05 compound treatment 4.1327 -1.15 -1.09 5.7079 0.647 0.58 -0.3593 -0.2922 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C06 compound treatment 5.2337 -0.0458 -0.04 4.9728 -0.0879 -0.08 -0.0861 -0.9609 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C07 compound treatment 7.7192 2.44 2.31 7.3494 2.29 2.04 3.0769 0.9981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C08 compound treatment 2.1274 -3.15 -2.98 1.8405 -3.22 -2.87 -4.1414 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C09 compound treatment 4.8472 -0.432 -0.41 4.9769 -0.0837 -0.07 -0.3422 -0.8226 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C10 compound treatment 4.2953 -0.984 -0.93 4.6937 -0.367 -0.33 -0.8903 -0.9016 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C11 mock treatment 4.2256 -1.05 -1.0 5.283 0.222 0.2 -0.5652 -0.5556 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C12 mock treatment 4.712 -0.568 -0.54 4.8673 -0.193 -0.17 -0.5019 -0.8895 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C13 compound treatment 5.666 0.387 0.37 5.7246 0.664 0.59 0.6776 0.9732 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C14 compound treatment 4.4242 -0.855 -0.81 4.1473 -0.913 -0.81 -1.1487 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C15 mock treatment 4.1806 -1.1 -1.04 4.8737 -0.187 -0.17 -0.8535 -0.8102 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C16 mock treatment 4.4161 -0.863 -0.82 4.9155 -0.145 -0.13 -0.6695 -0.809 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C17 compound treatment 4.0182 -1.26 -1.19 3.4783 -1.58 -1.41 -1.8426 -0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C18 compound treatment 5.5095 0.23 0.22 4.4839 -0.577 -0.51 -0.2099 -0.3757 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C19 compound treatment 3.6349 -1.64 -1.56 4.1121 -0.949 -0.85 -1.6993 -0.959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C20 compound treatment 3.9617 -1.32 -1.25 3.5478 -1.51 -1.35 -1.8365 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C21 compound treatment 2.6248 -2.65 -2.51 2.2588 -2.8 -2.5 -3.5446 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C22 compound treatment 5.6517 0.372 0.35 4.4448 -0.616 -0.55 -0.1394 -0.2136 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C23 compound treatment 4.6015 -0.678 -0.64 3.3852 -1.68 -1.49 -1.5109 -0.9287 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 C24 compound treatment 2.1029 -3.18 -3.01 1.9291 -3.13 -2.79 -4.1019 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D01 compound treatment 5.3836 0.104 0.1 4.8903 -0.17 -0.15 -0.0378 -0.2086 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D02 compound treatment 4.4383 -0.841 -0.8 5.2744 0.214 0.19 -0.4283 -0.523 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D03 compound treatment 3.1702 -2.11 -2.0 2.721 -2.34 -2.09 -2.8879 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D04 compound treatment 6.6948 1.42 1.34 8.3058 3.25 2.9 2.9946 0.9387 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D05 compound treatment 6.2632 0.984 0.93 4.4094 -0.651 -0.58 0.2476 0.2256 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D06 compound treatment 5.0151 -0.264 -0.25 4.4426 -0.618 -0.55 -0.5669 -0.9362 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D07 compound treatment 5.3406 0.0611 0.06 5.9887 0.928 0.83 0.6264 0.7547 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D08 compound treatment 3.8145 -1.46 -1.39 3.3168 -1.74 -1.56 -2.0808 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D09 compound treatment 6.5186 1.24 1.17 6.869 1.81 1.61 1.9702 0.9877 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D10 compound treatment 4.5428 -0.737 -0.7 3.8442 -1.22 -1.09 -1.2606 -0.9771 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D11 mock treatment 5.3346 0.0551 0.05 5.1216 0.0609 0.05 0.0753 0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D12 mock treatment 4.9899 -0.29 -0.27 4.4787 -0.582 -0.52 -0.561 -0.9555 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D13 compound treatment 5.6198 0.34 0.32 5.0856 0.025 0.02 0.2435 0.7542 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D14 compound treatment 5.4899 0.21 0.2 4.9012 -0.159 -0.14 0.0402 0.1643 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D15 mock treatment 4.6076 -0.672 -0.64 4.6732 -0.387 -0.35 -0.6942 -0.9589 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D16 mock treatment 4.7434 -0.536 -0.51 5.2552 0.195 0.17 -0.2361 -0.4402 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D17 compound treatment 5.9049 0.625 0.59 4.9673 -0.0933 -0.08 0.3597 0.6017 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D18 compound treatment 4.8271 -0.452 -0.43 4.8415 -0.219 -0.2 -0.4411 -0.9369 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D19 compound treatment 4.4723 -0.807 -0.76 4.192 -0.869 -0.78 -1.0884 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D20 compound treatment 3.9555 -1.32 -1.25 3.3224 -1.74 -1.55 -1.9828 -0.9944 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D21 compound treatment 5.1762 -0.103 -0.1 4.8917 -0.169 -0.15 -0.1757 -0.9781 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D22 compound treatment 4.8555 -0.424 -0.4 4.351 -0.71 -0.63 -0.7315 -0.9758 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D23 compound treatment 4.7159 -0.564 -0.53 5.0878 0.0271 0.02 -0.3601 -0.6744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 D24 compound treatment 5.1534 -0.126 -0.12 3.8183 -1.24 -1.11 -0.8682 -0.7788 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E01 mock treatment 5.5805 0.301 0.28 5.8253 0.765 0.68 0.6839 0.925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E02 mock treatment 7.2393 1.96 1.86 4.7592 -0.301 -0.27 1.1216 0.5983 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E03 compound treatment 2.2458 -3.03 -2.87 1.78 -3.28 -2.93 -4.1003 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E04 compound treatment 6.7739 1.49 1.41 6.0375 0.977 0.87 1.6165 0.9729 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E05 compound treatment 5.4416 0.162 0.15 3.9121 -1.15 -1.02 -0.6161 -0.5946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E06 compound treatment 5.724 0.445 0.42 5.4167 0.356 0.32 0.5221 0.9904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E07 compound treatment 4.0401 -1.24 -1.17 4.2102 -0.85 -0.76 -1.3661 -0.9778 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E08 compound treatment 5.2195 -0.06 -0.06 4.8802 -0.18 -0.16 -0.154 -0.9021 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E09 mock treatment 4.5106 -0.769 -0.73 5.2377 0.177 0.16 -0.403 -0.5411 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E10 mock treatment 4.0387 -1.24 -1.17 4.9527 -0.108 -0.1 -0.8986 -0.7625 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E11 compound treatment 6.9082 1.63 1.54 5.9175 0.857 0.76 1.6307 0.9476 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E12 compound treatment 5.7321 0.453 0.43 4.9791 -0.0816 -0.07 0.2515 0.5787 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E13 compound treatment 4.185 -1.09 -1.04 2.9473 -2.11 -1.89 -2.0659 -0.9602 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E14 compound treatment 4.1163 -1.16 -1.1 3.9882 -1.07 -0.96 -1.4552 -0.9976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E15 compound treatment 5.1232 -0.156 -0.15 5.1871 0.126 0.11 -0.0249 -0.1337 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E16 compound treatment 6.4324 1.15 1.09 5.7813 0.721 0.64 1.2263 0.9682 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E17 mock treatment 5.0299 -0.25 -0.24 4.4827 -0.578 -0.52 -0.5317 -0.9374 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E18 mock treatment 6.1418 0.862 0.82 5.0849 0.0242 0.02 0.5924 0.7256 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E19 compound treatment 3.2293 -2.05 -1.94 3.4301 -1.63 -1.45 -2.401 -0.9899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E20 compound treatment 6.1022 0.823 0.78 4.5614 -0.499 -0.45 0.2357 0.2627 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E21 compound treatment 4.5536 -0.726 -0.69 4.4825 -0.578 -0.52 -0.8506 -0.99 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E22 compound treatment 5.5213 0.242 0.23 5.9458 0.885 0.79 0.7203 0.876 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E23 compound treatment 7.5221 2.24 2.12 6.6394 1.58 1.41 2.497 0.9802 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 E24 compound treatment 4.1848 -1.09 -1.04 3.6915 -1.37 -1.22 -1.5965 -0.9966 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F01 mock treatment 4.1978 -1.08 -1.02 4.611 -0.45 -0.4 -1.0077 -0.9163 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F02 mock treatment 4.4333 -0.846 -0.8 5.3102 0.25 0.22 -0.409 -0.4919 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F03 compound treatment 5.126 -0.153 -0.15 4.8216 -0.239 -0.21 -0.2536 -0.9825 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F04 compound treatment 5.0914 -0.188 -0.18 4.5766 -0.484 -0.43 -0.4313 -0.9232 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F05 compound treatment 3.6698 -1.61 -1.52 3.0945 -1.97 -1.75 -2.3179 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F06 compound treatment 4.5452 -0.734 -0.7 4.826 -0.235 -0.21 -0.6395 -0.881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F07 compound treatment 5.2074 -0.0721 -0.07 5.22 0.159 0.14 0.0523 0.3317 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F08 compound treatment 5.5406 0.261 0.25 5.9067 0.846 0.75 0.7085 0.892 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F09 mock treatment 6.7694 1.49 1.41 5.2467 0.186 0.17 1.1147 0.7849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F10 mock treatment 5.8925 0.613 0.58 5.1253 0.0647 0.06 0.4511 0.7736 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F11 compound treatment 5.0502 -0.229 -0.22 5.0859 0.0252 0.02 -0.1376 -0.6304 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F12 compound treatment 4.8909 -0.389 -0.37 3.6219 -1.44 -1.28 -1.1678 -0.8745 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F13 compound treatment 1.3398 -3.94 -3.73 1.2849 -3.78 -3.37 -5.0191 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F14 compound treatment 4.3925 -0.887 -0.84 3.888 -1.17 -1.05 -1.3335 -0.9941 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F15 compound treatment 5.8201 0.541 0.51 5.9814 0.921 0.82 0.9427 0.974 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F16 compound treatment 5.6553 0.376 0.36 5.3138 0.253 0.23 0.4112 0.976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F17 mock treatment 5.4475 0.168 0.16 4.9745 -0.0862 -0.08 0.0581 0.3289 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F18 mock treatment 4.8312 -0.448 -0.42 5.2489 0.188 0.17 -0.1813 -0.3973 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F19 compound treatment 7.4728 2.19 2.08 6.6632 1.6 1.43 2.4791 0.9834 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F20 compound treatment 5.0152 -0.264 -0.25 4.5716 -0.489 -0.44 -0.4855 -0.9652 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F21 compound treatment 6.4657 1.19 1.12 5.4917 0.431 0.38 1.0659 0.8981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F22 compound treatment 4.6863 -0.593 -0.56 4.7126 -0.348 -0.31 -0.6166 -0.961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F23 compound treatment 5.6085 0.329 0.31 5.5552 0.495 0.44 0.5322 0.9854 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 F24 compound treatment 6.052 0.772 0.73 6.6872 1.63 1.45 1.5432 0.9497 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G01 compound treatment 5.5899 0.31 0.29 5.1758 0.115 0.1 0.2804 0.9009 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G02 compound treatment 6.2732 0.994 0.94 5.2672 0.207 0.18 0.7954 0.8299 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G03 mock treatment 7.4726 2.19 2.08 4.8374 -0.223 -0.2 1.3271 0.6363 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G04 mock treatment 5.5879 0.308 0.29 5.1347 0.0741 0.07 0.2531 0.8458 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G05 compound treatment 7.6049 2.33 2.2 5.9775 0.917 0.82 2.1349 0.9091 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G06 compound treatment 7.863 2.58 2.45 5.3456 0.285 0.25 1.909 0.7764 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G07 compound treatment 6.9711 1.69 1.6 4.9957 -0.065 -0.06 1.0912 0.6811 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G08 compound treatment 4.9287 -0.351 -0.33 5.5896 0.529 0.47 0.0989 0.1714 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G09 compound treatment 5.1545 -0.125 -0.12 4.8029 -0.258 -0.23 -0.2463 -0.9523 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G10 compound treatment 6.7955 1.52 1.43 5.745 0.684 0.61 1.4465 0.9275 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G11 compound treatment 6.5459 1.27 1.2 5.4583 0.398 0.35 1.0985 0.8787 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G12 compound treatment 9.933 4.65 4.4 7.9605 2.9 2.59 4.9443 0.9678 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G13 compound treatment 5.8227 0.543 0.51 5.8008 0.74 0.66 0.8305 0.9923 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G14 compound treatment 5.764 0.484 0.46 5.5706 0.51 0.45 0.646 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G15 compound treatment 5.479 0.199 0.19 6.6486 1.59 1.42 1.1353 0.7943 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G16 compound treatment 6.3793 1.1 1.04 4.9947 -0.0659 -0.06 0.6946 0.6661 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G17 compound treatment 7.0085 1.73 1.64 5.345 0.284 0.25 1.3366 0.8071 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G18 compound treatment 7.8675 2.59 2.45 5.1657 0.105 0.09 1.7985 0.7336 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G19 mock treatment 5.7516 0.472 0.45 5.8314 0.771 0.69 0.8022 0.9782 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G20 mock treatment 5.9086 0.629 0.6 4.4079 -0.653 -0.58 0.0093 0.0111 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G21 compound treatment 7.0303 1.75 1.66 4.2359 -0.825 -0.74 0.6515 0.3593 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G22 compound treatment 7.8482 2.57 2.43 5.0481 -0.0126 -0.01 1.7114 0.7038 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G23 compound treatment 6.0403 0.761 0.72 4.9246 -0.136 -0.12 0.4234 0.5798 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 G24 compound treatment 6.7724 1.49 1.41 5.642 0.581 0.52 1.366 0.9074 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H01 compound treatment 6.1965 0.917 0.87 5.3264 0.266 0.24 0.7814 0.8685 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H02 compound treatment 5.7986 0.519 0.49 6.3343 1.27 1.14 1.151 0.9297 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H03 mock treatment 6.1595 0.88 0.83 5.839 0.778 0.69 1.0801 0.9959 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H04 mock treatment 5.3929 0.113 0.11 5.9098 0.849 0.76 0.6116 0.7993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H05 compound treatment 7.159 1.88 1.78 5.6407 0.58 0.52 1.624 0.8765 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H06 compound treatment 5.7417 0.462 0.44 4.9462 -0.114 -0.1 0.2371 0.5278 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H07 compound treatment 5.1766 -0.103 -0.1 4.6667 -0.394 -0.35 -0.3174 -0.8703 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H08 compound treatment 5.6259 0.346 0.33 4.9661 -0.0946 -0.08 0.1722 0.5086 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H09 compound treatment 5.7455 0.466 0.44 4.6317 -0.429 -0.38 0.0413 0.0707 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H10 compound treatment 5.8725 0.593 0.56 5.5249 0.464 0.41 0.6898 0.9888 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H11 compound treatment 6.7791 1.5 1.42 4.7688 -0.292 -0.26 0.8196 0.5679 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H12 compound treatment 7.1016 1.82 1.72 5.3364 0.276 0.25 1.3936 0.7999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H13 compound treatment 5.5171 0.238 0.22 4.0326 -1.03 -0.92 -0.4895 -0.5184 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H14 compound treatment 6.5949 1.32 1.25 4.9658 -0.0948 -0.08 0.8206 0.6575 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H15 compound treatment 6.8668 1.59 1.5 5.8681 0.807 0.72 1.5718 0.9433 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H16 compound treatment 6.1542 0.875 0.83 5.5014 0.441 0.39 0.8635 0.9421 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H17 compound treatment 7.2185 1.94 1.84 5.375 0.314 0.28 1.4962 0.8058 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H18 compound treatment 7.9484 2.67 2.53 5.3095 0.249 0.22 1.9434 0.7663 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H19 mock treatment 6.0077 0.728 0.69 5.4425 0.382 0.34 0.7283 0.9472 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H20 mock treatment 6.1391 0.86 0.81 5.3198 0.259 0.23 0.7389 0.8735 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H21 compound treatment 6.3585 1.08 1.02 4.8115 -0.249 -0.22 0.5651 0.5406 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H22 compound treatment 5.9472 0.668 0.63 4.8854 -0.175 -0.16 0.3363 0.5165 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H23 compound treatment 5.631 0.352 0.33 4.5026 -0.558 -0.5 -0.1168 -0.195 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 H24 compound treatment 5.9347 0.655 0.62 6.2372 1.18 1.05 1.1808 0.9685 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I01 compound treatment 3.7653 -1.51 -1.43 4.7252 -0.335 -0.3 -1.2252 -0.8367 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I02 compound treatment 4.7597 -0.52 -0.49 5.5628 0.502 0.45 -0.0311 -0.0468 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I03 compound treatment 6.2919 1.01 0.96 6.3067 1.25 1.11 1.4637 0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I04 compound treatment 5.4138 0.134 0.13 5.1856 0.125 0.11 0.1687 0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I05 mock treatment 5.3141 0.0346 0.03 5.1986 0.138 0.12 0.1102 0.8653 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I06 mock treatment 4.1059 -1.17 -1.11 5.0126 -0.048 -0.04 -0.8159 -0.7338 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I07 compound treatment 5.1373 -0.142 -0.13 6.6572 1.6 1.42 0.9121 0.6374 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I08 compound treatment 4.9978 -0.282 -0.27 4.0982 -0.962 -0.86 -0.7957 -0.885 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I09 compound treatment 5.9687 0.689 0.65 6.0955 1.03 0.92 1.1142 0.9855 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I10 compound treatment 6.2406 0.961 0.91 5.6813 0.621 0.55 1.0348 0.9717 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I11 compound treatment 7.4497 2.17 2.05 5.4486 0.388 0.35 1.6973 0.8148 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I12 compound treatment 5.499 0.219 0.21 4.2877 -0.773 -0.69 -0.3407 -0.4731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I13 compound treatment 6.6318 1.35 1.28 5.9406 0.88 0.79 1.4603 0.9725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I14 compound treatment 6.9873 1.71 1.62 5.7396 0.679 0.61 1.5714 0.9103 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I15 compound treatment 7.362 2.08 1.97 5.855 0.794 0.71 1.895 0.9046 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I16 compound treatment 5.6966 0.417 0.39 6.37 1.31 1.17 1.1052 0.8963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I17 compound treatment 5.3257 0.0462 0.04 5.7284 0.668 0.6 0.4521 0.7569 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I18 compound treatment 4.5722 -0.707 -0.67 4.2622 -0.798 -0.71 -0.9772 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I19 compound treatment 5.2726 -0.00693 -0.01 5.2338 0.173 0.15 0.1046 0.6764 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I20 compound treatment 5.6004 0.321 0.3 6.6458 1.59 1.41 1.2148 0.8398 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I21 mock treatment 5.8983 0.619 0.59 4.8982 -0.162 -0.14 0.3117 0.5166 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I22 mock treatment 5.3084 0.0289 0.03 5.2361 0.175 0.16 0.13 0.8183 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I23 compound treatment 6.1622 0.883 0.84 5.0129 -0.0478 -0.04 0.5607 0.6702 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 I24 compound treatment 5.9046 0.625 0.59 5.3578 0.297 0.27 0.6059 0.9344 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J01 compound treatment 5.5938 0.314 0.3 5.8372 0.777 0.69 0.7003 0.9287 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J02 compound treatment 5.4209 0.141 0.13 6.1474 1.09 0.97 0.7803 0.7972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J03 compound treatment 4.9529 -0.327 -0.31 5.6071 0.546 0.49 0.1261 0.2185 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J04 compound treatment 5.0027 -0.277 -0.26 5.6989 0.638 0.57 0.2173 0.3467 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J05 mock treatment 5.1253 -0.154 -0.15 7.352 2.29 2.04 1.3424 0.6549 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J06 mock treatment 4.2731 -1.01 -0.95 5.3485 0.288 0.26 -0.492 -0.4987 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J07 compound treatment 5.8876 0.608 0.58 6.4452 1.38 1.24 1.2805 0.9396 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J08 compound treatment 5.8514 0.572 0.54 5.705 0.644 0.57 0.7893 0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J09 compound treatment 8.073 2.79 2.64 4.9525 -0.108 -0.1 1.8015 0.6808 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J10 compound treatment 4.3081 -0.971 -0.92 4.648 -0.413 -0.37 -0.9105 -0.9193 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J11 compound treatment 6.5556 1.28 1.21 5.9671 0.906 0.81 1.426 0.981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J12 compound treatment 6.1912 0.912 0.86 5.8433 0.783 0.7 1.104 0.9945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J13 compound treatment 8.4716 3.19 3.02 5.0011 -0.0595 -0.05 2.099 0.6946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J14 compound treatment 6.797 1.52 1.44 7.6158 2.56 2.28 2.6278 0.9752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J15 compound treatment 7.5731 2.29 2.17 5.7063 0.646 0.58 1.9425 0.8648 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J16 compound treatment 9.15 3.87 3.66 6.9385 1.88 1.68 3.7754 0.9371 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J17 compound treatment 6.9145 1.64 1.55 6.0 0.939 0.84 1.687 0.9585 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J18 compound treatment 6.5697 1.29 1.22 5.3982 0.338 0.3 1.0766 0.8558 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J19 compound treatment 6.0167 0.737 0.7 5.6322 0.572 0.51 0.854 0.9881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J20 compound treatment 6.3685 1.09 1.03 6.0363 0.976 0.87 1.3445 0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J21 mock treatment 5.0729 -0.207 -0.2 5.5417 0.481 0.43 0.1651 0.3502 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J22 mock treatment 5.1386 -0.141 -0.13 5.2703 0.21 0.19 0.038 0.1653 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J23 compound treatment 6.0224 0.743 0.7 5.91 0.849 0.76 1.0331 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 J24 compound treatment 4.9708 -0.309 -0.29 6.661 1.6 1.43 0.803 0.5509 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K01 compound treatment 5.3597 0.0802 0.08 4.8414 -0.219 -0.2 -0.0847 -0.4034 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K02 compound treatment 4.1859 -1.09 -1.04 3.7688 -1.29 -1.15 -1.547 -0.9986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K03 compound treatment 2.5586 -2.72 -2.58 2.3975 -2.66 -2.38 -3.5014 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K04 compound treatment 3.7514 -1.53 -1.45 3.2824 -1.78 -1.59 -2.1448 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K05 compound treatment 5.4015 0.122 0.12 5.3085 0.248 0.22 0.238 0.9541 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K06 compound treatment 5.1016 -0.178 -0.17 5.1589 0.0983 0.09 -0.0571 -0.3008 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K07 mock treatment 4.2966 -0.983 -0.93 4.4661 -0.595 -0.53 -1.033 -0.9645 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K08 mock treatment 4.8146 -0.465 -0.44 5.4763 0.416 0.37 -0.0489 -0.085 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K09 compound treatment 2.6922 -2.59 -2.45 2.1835 -2.88 -2.57 -3.547 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K10 compound treatment 4.7051 -0.574 -0.54 5.9322 0.872 0.78 0.1654 0.1743 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K11 compound treatment 6.9019 1.62 1.54 5.5671 0.506 0.45 1.4055 0.878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K12 compound treatment 7.1638 1.88 1.78 5.1422 0.0815 0.07 1.3127 0.7353 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K13 compound treatment 9.6951 4.42 4.18 5.6801 0.619 0.55 3.3464 0.7937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K14 compound treatment 9.5386 4.26 4.03 7.9383 2.88 2.57 4.6663 0.9763 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K15 mock treatment 5.3831 0.104 0.1 5.0972 0.0366 0.03 0.0924 0.8941 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K16 mock treatment 5.4044 0.125 0.12 6.033 0.972 0.87 0.697 0.7961 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K17 compound treatment 5.6721 0.393 0.37 5.3372 0.276 0.25 0.4372 0.9802 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K18 compound treatment 6.0734 0.794 0.75 5.4955 0.435 0.39 0.8058 0.9527 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K19 compound treatment 7.7245 2.45 2.31 5.2408 0.18 0.16 1.7502 0.7544 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K20 compound treatment 4.5355 -0.744 -0.7 4.3163 -0.744 -0.66 -0.9676 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K21 compound treatment 5.3343 0.0548 0.05 4.1302 -0.93 -0.83 -0.5503 -0.6616 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K22 compound treatment 3.0554 -2.22 -2.11 3.6208 -1.44 -1.28 -2.3971 -0.9719 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K23 mock treatment 5.1133 -0.166 -0.16 4.2201 -0.841 -0.75 -0.6415 -0.8372 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 K24 mock treatment 6.3033 1.02 0.97 4.6373 -0.423 -0.38 0.4181 0.402 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L01 compound treatment 5.0921 -0.187 -0.18 6.3951 1.33 1.19 0.7164 0.5952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L02 compound treatment 6.6528 1.37 1.3 7.0708 2.01 1.79 2.1874 0.9875 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L03 compound treatment 4.4849 -0.795 -0.75 3.5319 -1.53 -1.36 -1.4963 -0.9607 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L04 compound treatment 4.3708 -0.909 -0.86 4.3324 -0.728 -0.65 -1.0677 -0.9904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L05 compound treatment 2.2258 -3.05 -2.89 1.7089 -3.35 -2.99 -4.1585 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L06 compound treatment 5.8297 0.55 0.52 4.4806 -0.58 -0.52 0.0023 0.0031 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L07 mock treatment 5.5937 0.314 0.3 4.6098 -0.451 -0.4 -0.0741 -0.1482 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L08 mock treatment 5.3701 0.0906 0.09 4.8136 -0.247 -0.22 -0.0952 -0.4025 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L09 compound treatment 3.9028 -1.38 -1.3 3.9758 -1.08 -0.97 -1.6059 -0.9893 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L10 compound treatment 4.7179 -0.562 -0.53 4.5 -0.561 -0.5 -0.7296 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L11 compound treatment 4.8357 -0.444 -0.42 4.9323 -0.128 -0.11 -0.3781 -0.8682 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L12 compound treatment 5.6103 0.331 0.31 4.5217 -0.539 -0.48 -0.1186 -0.2067 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L13 compound treatment 3.6121 -1.67 -1.58 3.0756 -1.99 -1.77 -2.3684 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L14 compound treatment 7.0348 1.76 1.66 4.7888 -0.272 -0.24 1.0034 0.5976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L15 mock treatment 5.8125 0.533 0.5 5.296 0.235 0.21 0.5052 0.9245 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L16 mock treatment 6.3494 1.07 1.01 6.4924 1.43 1.28 1.6194 0.9934 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L17 compound treatment 5.9583 0.679 0.64 4.9888 -0.0718 -0.06 0.409 0.6334 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L18 compound treatment 5.9338 0.654 0.62 5.1239 0.0632 0.06 0.4778 0.7683 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L19 compound treatment 6.0992 0.82 0.78 5.5801 0.519 0.46 0.8763 0.9697 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L20 compound treatment 5.6489 0.369 0.35 3.9991 -1.06 -0.95 -0.4225 -0.4185 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L21 compound treatment 3.4989 -1.78 -1.69 3.8034 -1.26 -1.12 -1.985 -0.9804 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L22 compound treatment 1.9689 -3.31 -3.13 1.8203 -3.24 -2.89 -4.2602 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L23 mock treatment 4.5591 -0.72 -0.68 5.0094 -0.0513 -0.05 -0.5146 -0.7528 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 L24 mock treatment 5.2131 -0.0664 -0.06 4.5732 -0.487 -0.43 -0.352 -0.801 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M01 compound treatment 4.8407 -0.439 -0.42 5.0425 -0.0181 -0.02 -0.3052 -0.7341 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M02 compound treatment 7.3321 2.05 1.94 7.0411 1.98 1.77 2.6233 0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M03 compound treatment 3.9002 -1.38 -1.31 4.1507 -0.91 -0.81 -1.4973 -0.9739 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M04 compound treatment 4.2699 -1.01 -0.96 5.8718 0.811 0.72 -0.1641 -0.1369 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M05 compound treatment 2.2396 -3.04 -2.88 2.4057 -2.65 -2.37 -3.7097 -0.9953 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M06 compound treatment 5.598 0.319 0.3 5.1259 0.0652 0.06 0.2544 0.8283 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M07 compound treatment 4.5951 -0.684 -0.65 4.3738 -0.687 -0.61 -0.8914 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M08 compound treatment 5.11 -0.17 -0.16 4.9323 -0.128 -0.11 -0.1945 -0.9864 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M09 mock treatment 7.5568 2.28 2.16 4.4286 -0.632 -0.56 1.1255 0.5051 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M10 mock treatment 5.6261 0.347 0.33 5.5743 0.514 0.46 0.556 0.9866 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M11 compound treatment 5.5847 0.305 0.29 5.2361 0.175 0.16 0.315 0.9586 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M12 compound treatment 3.1509 -2.13 -2.01 2.8788 -2.18 -1.95 -2.8013 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M13 mock treatment 5.0866 -0.193 -0.18 5.3267 0.266 0.24 0.0387 0.1293 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M14 mock treatment 6.1093 0.83 0.79 4.7424 -0.318 -0.28 0.3547 0.4246 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M15 compound treatment 4.5 -0.78 -0.74 5.522 0.461 0.41 -0.2307 -0.2731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M16 compound treatment 6.7254 1.45 1.37 6.6417 1.58 1.41 1.9652 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M17 compound treatment 4.9477 -0.332 -0.31 4.1545 -0.906 -0.81 -0.7938 -0.9152 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M18 compound treatment 8.3936 3.11 2.95 5.3556 0.295 0.26 2.2705 0.7672 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M19 compound treatment 6.965 1.69 1.6 5.9478 0.887 0.79 1.6879 0.9477 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M20 compound treatment 5.3117 0.0322 0.03 4.8263 -0.234 -0.21 -0.1263 -0.5978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M21 compound treatment 4.8587 -0.421 -0.4 5.233 0.172 0.15 -0.1729 -0.405 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M22 compound treatment 5.324 0.0445 0.04 4.9089 -0.152 -0.14 -0.066 -0.4654 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M23 compound treatment 5.4748 0.195 0.18 5.2633 0.203 0.18 0.2586 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 M24 compound treatment 3.1931 -2.09 -1.97 2.4944 -2.57 -2.29 -3.0155 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N01 compound treatment 4.357 -0.922 -0.87 5.5512 0.491 0.44 -0.308 -0.3153 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N02 compound treatment 10.0771 4.8 4.54 7.3422 2.28 2.04 4.6506 0.9345 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N03 compound treatment 5.5691 0.29 0.27 5.1317 0.0711 0.06 0.2387 0.8482 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N04 compound treatment 4.6608 -0.619 -0.59 4.7436 -0.317 -0.28 -0.6142 -0.9442 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N05 compound treatment 4.7254 -0.554 -0.52 4.6501 -0.411 -0.37 -0.6299 -0.9846 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N06 compound treatment 4.2546 -1.02 -0.97 5.5845 0.524 0.47 -0.3555 -0.3301 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N07 compound treatment 5.3086 0.029 0.03 6.0284 0.968 0.86 0.63 0.7292 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N08 compound treatment 5.7961 0.517 0.49 4.8461 -0.215 -0.19 0.2104 0.4007 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N09 mock treatment 6.3269 1.05 0.99 5.8667 0.806 0.72 1.2096 0.9876 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N10 mock treatment 4.424 -0.856 -0.81 5.2645 0.204 0.18 -0.4441 -0.535 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N11 compound treatment 7.8925 2.61 2.47 4.8163 -0.244 -0.22 1.5948 0.6423 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N12 compound treatment 6.5871 1.31 1.24 7.1522 2.09 1.87 2.1948 0.9801 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N13 mock treatment 6.0519 0.772 0.73 5.0159 -0.0448 -0.04 0.4887 0.6675 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N14 mock treatment 6.4727 1.19 1.13 5.0466 -0.0141 -0.01 0.7898 0.6992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N15 compound treatment 6.8703 1.59 1.51 6.5899 1.53 1.36 2.0296 0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N16 compound treatment 5.6785 0.399 0.38 5.7077 0.647 0.58 0.6753 0.9788 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N17 compound treatment 5.5347 0.255 0.24 5.9507 0.89 0.79 0.7324 0.8823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N18 compound treatment 6.833 1.55 1.47 4.8346 -0.226 -0.2 0.8972 0.6045 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N19 compound treatment 6.1891 0.91 0.86 5.2914 0.231 0.21 0.7544 0.8522 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N20 compound treatment 5.1601 -0.119 -0.11 4.8531 -0.208 -0.19 -0.2109 -0.972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N21 compound treatment 3.367 -1.91 -1.81 3.6749 -1.39 -1.24 -2.1544 -0.9827 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N22 compound treatment 5.7747 0.495 0.47 4.8018 -0.259 -0.23 0.1681 0.3217 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N23 compound treatment 5.1338 -0.146 -0.14 5.2362 0.176 0.16 0.0132 0.0634 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 N24 compound treatment 4.699 -0.581 -0.55 5.2956 0.235 0.21 -0.2403 -0.4086 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O01 compound treatment 4.2637 -1.02 -0.96 4.4884 -0.572 -0.51 -1.0409 -0.9561 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O02 compound treatment 3.9941 -1.29 -1.22 3.7657 -1.29 -1.16 -1.6774 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O03 compound treatment 3.8997 -1.38 -1.31 4.7829 -0.278 -0.25 -1.0988 -0.8265 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O04 compound treatment 2.8807 -2.4 -2.27 2.4321 -2.63 -2.35 -3.264 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O05 compound treatment 3.9353 -1.34 -1.27 4.5627 -0.498 -0.44 -1.2139 -0.9007 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O06 compound treatment 3.542 -1.74 -1.64 4.1248 -0.936 -0.84 -1.7534 -0.9506 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O07 compound treatment 3.0254 -2.25 -2.13 3.5531 -1.51 -1.35 -2.4599 -0.9753 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O08 compound treatment 4.0752 -1.2 -1.14 4.635 -0.426 -0.38 -1.0746 -0.8944 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O09 compound treatment 4.1419 -1.14 -1.08 4.106 -0.955 -0.85 -1.3637 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O10 compound treatment 7.0103 1.73 1.64 5.7933 0.733 0.65 1.6207 0.9188 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O11 mock treatment 4.5661 -0.713 -0.68 3.8936 -1.17 -1.04 -1.2138 -0.978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O12 mock treatment 4.2985 -0.981 -0.93 4.4845 -0.576 -0.51 -1.0201 -0.9611 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O13 compound treatment 4.3913 -0.888 -0.84 4.1921 -0.869 -0.77 -1.1425 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O14 compound treatment 4.0741 -1.21 -1.14 4.0822 -0.978 -0.87 -1.4241 -0.9913 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O15 compound treatment 4.504 -0.776 -0.73 4.5385 -0.522 -0.47 -0.8485 -0.9759 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O16 compound treatment 3.4372 -1.84 -1.74 2.1347 -2.93 -2.61 -3.0791 -0.9808 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O17 compound treatment 5.2134 -0.0661 -0.06 3.9074 -1.15 -1.03 -0.7718 -0.7487 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O18 compound treatment 4.8232 -0.456 -0.43 4.8274 -0.233 -0.21 -0.4526 -0.9439 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O19 compound treatment 8.4146 3.14 2.97 7.3618 2.3 2.05 3.5503 0.9838 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O20 compound treatment 5.3686 0.0891 0.08 4.1996 -0.861 -0.77 -0.4836 -0.6257 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O21 compound treatment 5.1872 -0.0923 -0.09 4.4713 -0.589 -0.53 -0.4336 -0.8135 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O22 compound treatment 3.4753 -1.8 -1.71 3.4287 -1.63 -1.46 -2.2372 -0.9968 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O23 compound treatment 3.4803 -1.8 -1.7 3.3811 -1.68 -1.5 -2.2639 -0.998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 O24 compound treatment 4.216 -1.06 -1.01 4.3028 -0.758 -0.68 -1.19 -0.9813 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P01 compound treatment 4.5167 -0.763 -0.72 4.201 -0.86 -0.77 -1.053 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P02 compound treatment 4.8781 -0.401 -0.38 5.3615 0.301 0.27 -0.0789 -0.1696 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P03 compound treatment 4.0391 -1.24 -1.17 4.9162 -0.144 -0.13 -0.9215 -0.7801 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P04 compound treatment 3.2674 -2.01 -1.9 3.607 -1.45 -1.3 -2.2639 -0.9825 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P05 compound treatment 4.4743 -0.805 -0.76 4.1277 -0.933 -0.83 -1.1276 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P06 compound treatment 4.6865 -0.593 -0.56 4.9424 -0.118 -0.11 -0.4716 -0.8256 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P07 compound treatment 3.876 -1.4 -1.33 4.3702 -0.69 -0.62 -1.3751 -0.939 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P08 compound treatment 5.1659 -0.114 -0.11 5.7514 0.691 0.62 0.3597 0.575 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P09 compound treatment 5.7077 0.428 0.41 5.077 0.0164 0.01 0.2969 0.7321 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P10 compound treatment 3.9367 -1.34 -1.27 3.8054 -1.26 -1.12 -1.6908 -0.998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P11 mock treatment 4.7544 -0.525 -0.5 3.9829 -1.08 -0.96 -1.0314 -0.9528 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P12 mock treatment 4.2351 -1.04 -0.99 4.5133 -0.547 -0.49 -1.0444 -0.9471 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P13 compound treatment 4.85 -0.43 -0.41 4.6505 -0.41 -0.37 -0.5463 -0.9986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P14 compound treatment 4.5204 -0.759 -0.72 4.3771 -0.684 -0.61 -0.9393 -0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P15 compound treatment 5.3183 0.0388 0.04 4.6033 -0.457 -0.41 -0.2626 -0.641 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P16 compound treatment 4.5876 -0.692 -0.65 4.2883 -0.772 -0.69 -0.9504 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P17 compound treatment 4.9295 -0.35 -0.33 4.5889 -0.472 -0.42 -0.5319 -0.993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P18 compound treatment 3.2402 -2.04 -1.93 3.1935 -1.87 -1.67 -2.543 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P19 compound treatment 8.3257 3.05 2.88 4.8444 -0.216 -0.19 1.9025 0.6583 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P20 compound treatment 4.1798 -1.1 -1.04 3.6567 -1.4 -1.25 -1.6218 -0.9958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P21 compound treatment 4.9586 -0.321 -0.3 4.1879 -0.873 -0.78 -0.7654 -0.9157 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P22 compound treatment 5.7677 0.488 0.46 4.5512 -0.509 -0.45 0.0053 0.0083 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P23 compound treatment 3.8403 -1.44 -1.36 5.6199 0.559 0.5 -0.6105 -0.4208 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2097 P24 compound treatment 3.6989 -1.58 -1.5 3.4838 -1.58 -1.41 -2.0528 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A01 compound treatment 4.5129 0.256 0.24 4.3983 -0.112 -0.1 0.1008 0.3846 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A02 compound treatment 5.9868 1.73 1.64 4.9653 0.455 0.41 1.445 0.8565 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A03 compound treatment 5.1562 0.899 0.85 3.9146 -0.595 -0.53 0.2262 0.2255 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A04 compound treatment 5.7485 1.49 1.41 4.4766 -0.0335 -0.03 0.9772 0.692 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A05 compound treatment 4.6363 0.379 0.36 4.1825 -0.328 -0.29 0.0472 0.1019 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A06 compound treatment 4.5546 0.298 0.28 5.2135 0.703 0.63 0.643 0.9347 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A07 compound treatment 4.095 -0.162 -0.15 4.2432 -0.267 -0.24 -0.2769 -0.9774 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A08 compound treatment 5.2566 1.0 0.95 5.4995 0.989 0.88 1.2933 0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A09 compound treatment 4.3266 0.0696 0.07 4.5631 0.053 0.05 0.08 0.9868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A10 compound treatment 4.9496 0.693 0.66 5.5013 0.991 0.88 1.089 0.9891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A11 compound treatment 4.1962 -0.0608 -0.06 4.8997 0.39 0.35 0.2052 0.5822 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A12 compound treatment 4.8361 0.579 0.55 4.1462 -0.364 -0.32 0.158 0.248 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A13 mock treatment 4.9687 0.712 0.67 4.713 0.203 0.18 0.6044 0.8664 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A14 mock treatment 5.0369 0.78 0.74 5.0372 0.527 0.47 0.8545 0.9763 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A15 compound treatment 5.2683 1.01 0.96 6.0051 1.5 1.33 1.6201 0.9868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A16 compound treatment 4.8427 0.586 0.55 5.4622 0.952 0.85 0.9927 0.9786 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A17 compound treatment 5.8362 1.58 1.49 5.4551 0.945 0.84 1.6532 0.9633 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A18 compound treatment 4.0157 -0.241 -0.23 4.3007 -0.209 -0.19 -0.2936 -0.995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A19 compound treatment 4.9097 0.653 0.62 4.9797 0.47 0.42 0.7332 0.9821 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A20 compound treatment 5.113 0.856 0.81 5.1251 0.615 0.55 0.961 0.982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A21 compound treatment 4.798 0.541 0.51 4.7462 0.236 0.21 0.511 0.9229 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A22 compound treatment 3.8732 -0.384 -0.36 4.9391 0.429 0.38 0.0138 0.0261 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A23 compound treatment 4.0443 -0.213 -0.2 5.1449 0.635 0.57 0.2581 0.4294 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 A24 compound treatment 4.5346 0.278 0.26 4.4246 -0.0854 -0.08 0.1319 0.4821 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B01 compound treatment 3.7643 -0.493 -0.47 3.6221 -0.888 -0.79 -0.8899 -0.9681 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B02 compound treatment 4.6758 0.419 0.4 3.7414 -0.769 -0.69 -0.2046 -0.2583 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B03 compound treatment 5.7577 1.5 1.42 7.1159 2.61 2.32 2.6484 0.9721 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B04 compound treatment 5.1969 0.94 0.89 4.3111 -0.199 -0.18 0.5036 0.5551 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B05 compound treatment 5.8316 1.57 1.49 4.0141 -0.496 -0.44 0.741 0.4766 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B06 compound treatment 4.2846 0.0276 0.03 5.3899 0.88 0.79 0.5736 0.7303 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B07 compound treatment 3.7468 -0.51 -0.48 4.8426 0.333 0.3 -0.1317 -0.2324 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B08 compound treatment 9.4705 5.21 4.94 5.6918 1.18 1.05 4.2352 0.8392 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B09 compound treatment 3.3623 -0.895 -0.85 2.9111 -1.6 -1.43 -1.6076 -0.969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B10 compound treatment 4.868 0.611 0.58 5.3031 0.793 0.71 0.9093 0.995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B11 compound treatment 5.0209 0.764 0.72 5.8525 1.34 1.2 1.3583 0.9708 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B12 compound treatment 5.3033 1.05 0.99 4.9761 0.466 0.42 0.9944 0.9257 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B13 mock treatment 4.1876 -0.0695 -0.07 4.4416 -0.0684 -0.06 -0.0897 -0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B14 mock treatment 6.2991 2.04 1.93 5.014 0.504 0.45 1.6847 0.8489 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B15 compound treatment 4.0561 -0.201 -0.19 5.0745 0.564 0.5 0.2216 0.4117 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B16 compound treatment 5.7232 1.47 1.39 3.8398 -0.67 -0.6 0.5585 0.3696 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B17 compound treatment 4.6472 0.39 0.37 4.4924 -0.0177 -0.02 0.25 0.6763 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B18 compound treatment 5.8855 1.63 1.54 5.6933 1.18 1.06 1.8365 0.983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B19 compound treatment 4.3263 0.0693 0.07 5.3734 0.863 0.77 0.5911 0.7645 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B20 compound treatment 2.6186 -1.64 -1.55 3.7533 -0.757 -0.68 -1.5741 -0.9306 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B21 compound treatment 4.6742 0.417 0.39 4.7026 0.193 0.17 0.4007 0.9305 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B22 compound treatment 5.7856 1.53 1.45 5.0103 0.5 0.45 1.3387 0.8841 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B23 compound treatment 7.185 2.93 2.77 7.7122 3.2 2.86 3.98 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 B24 compound treatment 3.338 -0.919 -0.87 3.0736 -1.44 -1.28 -1.5214 -0.9822 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C01 compound treatment 4.2562 -8.49E-4 0.0 4.0697 -0.44 -0.39 -0.2784 -0.7086 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C02 compound treatment 4.5662 0.309 0.29 4.2681 -0.242 -0.22 0.0543 0.1493 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C03 compound treatment 5.5937 1.34 1.27 4.3685 -0.142 -0.13 0.8054 0.6334 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C04 compound treatment 4.6955 0.438 0.42 3.661 -0.849 -0.76 -0.2422 -0.2804 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C05 compound treatment 4.7685 0.512 0.48 4.2791 -0.231 -0.21 0.1967 0.3737 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C06 compound treatment 4.0035 -0.254 -0.24 3.8193 -0.691 -0.62 -0.6055 -0.9155 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C07 compound treatment 4.3172 0.0602 0.06 4.8704 0.36 0.32 0.2676 0.8196 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C08 compound treatment 5.0682 0.811 0.77 4.8679 0.358 0.32 0.7688 0.9244 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C09 compound treatment 4.8863 0.629 0.6 4.0999 -0.41 -0.37 0.1624 0.2324 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C10 compound treatment 4.1367 -0.12 -0.11 4.0949 -0.415 -0.37 -0.3425 -0.8837 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C11 mock treatment 4.0622 -0.195 -0.18 4.3246 -0.185 -0.17 -0.2474 -0.9985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C12 mock treatment 4.2679 0.0109 0.01 4.3547 -0.155 -0.14 -0.0908 -0.6529 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C13 compound treatment 4.1532 -0.104 -0.1 4.4706 -0.0395 -0.04 -0.0944 -0.9042 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C14 compound treatment 5.0047 0.748 0.71 4.047 -0.463 -0.41 0.2083 0.2542 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C15 mock treatment 3.7587 -0.498 -0.47 4.4103 -0.0998 -0.09 -0.3965 -0.826 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C16 mock treatment 4.2031 -0.0539 -0.05 5.1553 0.645 0.58 0.371 0.6419 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C17 compound treatment 3.9852 -0.272 -0.26 4.9659 0.456 0.41 0.1056 0.2195 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C18 compound treatment 3.5892 -0.668 -0.63 3.9046 -0.605 -0.54 -0.8289 -0.9969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C19 compound treatment 5.5769 1.32 1.25 4.1099 -0.4 -0.36 0.631 0.4856 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C20 compound treatment 3.5266 -0.73 -0.69 4.032 -0.478 -0.43 -0.7905 -0.9731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C21 compound treatment 4.4901 0.233 0.22 4.4861 -0.024 -0.02 0.1409 0.6356 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C22 compound treatment 3.8459 -0.411 -0.39 3.4025 -1.11 -0.99 -0.9739 -0.917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C23 compound treatment 3.6664 -0.591 -0.56 4.3806 -0.129 -0.12 -0.477 -0.8356 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 C24 compound treatment 3.6651 -0.592 -0.56 4.3576 -0.152 -0.14 -0.4923 -0.8539 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D01 compound treatment 5.3031 1.05 0.99 4.1444 -0.366 -0.33 0.4695 0.4504 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D02 compound treatment 4.5811 0.324 0.31 3.6753 -0.835 -0.74 -0.3097 -0.3845 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D03 compound treatment 4.8407 0.584 0.55 3.8731 -0.637 -0.57 -0.0112 -0.0141 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D04 compound treatment 5.1203 0.863 0.82 4.3847 -0.125 -0.11 0.4988 0.6047 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D05 compound treatment 3.2116 -1.05 -0.99 3.6068 -0.903 -0.81 -1.2696 -0.9948 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D06 compound treatment 4.0479 -0.209 -0.2 4.3253 -0.185 -0.16 -0.2565 -0.9959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D07 compound treatment 6.6777 2.42 2.29 6.3285 1.82 1.62 2.7675 0.9857 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D08 compound treatment 4.8056 0.549 0.52 4.6054 0.0953 0.09 0.4273 0.8121 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D09 compound treatment 1.8761 -2.38 -2.25 1.8919 -2.62 -2.34 -3.2454 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D10 compound treatment 4.2581 0.00112 0.0 4.6835 0.173 0.15 0.1101 0.7119 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D11 mock treatment 3.9474 -0.31 -0.29 4.8147 0.305 0.27 -0.0151 -0.0377 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D12 mock treatment 5.0051 0.748 0.71 3.9746 -0.535 -0.48 0.1629 0.1907 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D13 compound treatment 4.3862 0.129 0.12 3.8827 -0.627 -0.56 -0.3093 -0.5399 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D14 compound treatment 4.377 0.12 0.11 4.1703 -0.34 -0.3 -0.134 -0.414 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D15 mock treatment 4.2803 0.0233 0.02 3.6521 -0.858 -0.77 -0.5256 -0.6864 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D16 mock treatment 3.9888 -0.268 -0.25 4.1285 -0.382 -0.34 -0.4202 -0.9896 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D17 compound treatment 4.0973 -0.16 -0.15 4.0449 -0.465 -0.41 -0.4004 -0.9064 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D18 compound treatment 4.587 0.33 0.31 4.0492 -0.461 -0.41 -0.0699 -0.1354 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D19 compound treatment 3.6431 -0.614 -0.58 4.1462 -0.364 -0.32 -0.6405 -0.9622 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D20 compound treatment 4.1681 -0.0889 -0.08 4.0968 -0.413 -0.37 -0.3202 -0.8467 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D21 compound treatment 1.8616 -2.4 -2.27 1.9593 -2.55 -2.28 -3.2126 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D22 compound treatment 3.8241 -0.433 -0.41 3.8471 -0.663 -0.59 -0.708 -0.9839 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D23 compound treatment 3.9294 -0.328 -0.31 4.2649 -0.245 -0.22 -0.3739 -0.9854 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 D24 compound treatment 4.3178 0.0608 0.06 4.0944 -0.416 -0.37 -0.2215 -0.5902 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E01 mock treatment 4.2555 -0.0015 0.0 4.2486 -0.261 -0.23 -0.166 -0.7114 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E02 mock treatment 4.0909 -0.166 -0.16 4.1677 -0.342 -0.31 -0.3272 -0.9523 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E03 compound treatment 3.9829 -0.274 -0.26 4.1517 -0.358 -0.32 -0.4095 -0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E04 compound treatment 4.3144 0.0574 0.05 4.1913 -0.319 -0.28 -0.1627 -0.5619 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E05 compound treatment 4.6272 0.37 0.35 4.0914 -0.419 -0.37 -0.0164 -0.032 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E06 compound treatment 3.9114 -0.346 -0.33 3.833 -0.677 -0.6 -0.6585 -0.9585 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E07 compound treatment 5.367 1.11 1.05 5.3625 0.852 0.76 1.2807 0.9874 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E08 compound treatment 3.4891 -0.768 -0.73 2.7243 -1.79 -1.59 -1.6407 -0.9368 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E09 mock treatment 4.5303 0.273 0.26 5.0704 0.56 0.5 0.5364 0.953 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E10 mock treatment 4.0739 -0.183 -0.17 4.1695 -0.341 -0.3 -0.3374 -0.9646 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E11 compound treatment 4.2703 0.0133 0.01 4.298 -0.212 -0.19 -0.1249 -0.6585 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E12 compound treatment 4.2643 0.00728 0.01 4.5006 -0.00946 -0.01 -0.0011 -0.1007 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E13 compound treatment 5.1805 0.923 0.87 4.4651 -0.045 -0.04 0.5898 0.6739 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E14 compound treatment 4.1704 -0.0867 -0.08 4.2002 -0.31 -0.28 -0.2535 -0.879 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E15 compound treatment 4.166 -0.0911 -0.09 4.621 0.111 0.1 0.009 0.0688 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E16 compound treatment 4.0121 -0.245 -0.23 4.278 -0.232 -0.21 -0.3103 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E17 mock treatment 4.0535 -0.203 -0.19 5.0598 0.55 0.49 0.2106 0.3997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E18 mock treatment 3.953 -0.304 -0.29 4.2219 -0.288 -0.26 -0.3853 -0.9984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E19 compound treatment 1.7968 -2.46 -2.33 2.573 -1.94 -1.73 -2.8688 -0.9892 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E20 compound treatment 3.6965 -0.561 -0.53 4.2904 -0.22 -0.2 -0.5138 -0.9083 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E21 compound treatment 5.6494 1.39 1.32 5.3465 0.836 0.75 1.4596 0.9637 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E22 compound treatment 4.717 0.46 0.44 4.9136 0.404 0.36 0.5624 0.9955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E23 compound treatment 3.8419 -0.415 -0.39 4.5256 0.0155 0.01 -0.2681 -0.6818 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 E24 compound treatment 4.0097 -0.247 -0.23 4.3427 -0.167 -0.15 -0.2712 -0.9764 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F01 mock treatment 4.3399 0.0829 0.08 3.5887 -0.921 -0.82 -0.5258 -0.6367 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F02 mock treatment 3.9845 -0.273 -0.26 4.1858 -0.324 -0.29 -0.387 -0.9984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F03 compound treatment 5.0488 0.792 0.75 3.8292 -0.681 -0.61 0.1004 0.1041 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F04 compound treatment 4.5443 0.287 0.27 3.8899 -0.62 -0.55 -0.1989 -0.3227 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F05 compound treatment 5.8977 1.64 1.55 6.1481 1.64 1.46 2.1316 0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F06 compound treatment 4.1162 -0.141 -0.13 4.9817 0.472 0.42 0.2033 0.4606 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F07 compound treatment 1.474 -2.78 -2.63 1.4211 -3.09 -2.76 -3.8116 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F08 compound treatment 5.2647 1.01 0.95 5.3958 0.886 0.79 1.2333 0.9956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F09 mock treatment 4.6871 0.43 0.41 4.596 0.0859 0.08 0.3421 0.8258 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F10 mock treatment 4.3309 0.0739 0.07 5.0011 0.491 0.44 0.3592 0.8097 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F11 compound treatment 4.5528 0.296 0.28 5.1435 0.633 0.57 0.5976 0.9475 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F12 compound treatment 5.0528 0.796 0.75 4.984 0.474 0.42 0.8317 0.9627 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F13 compound treatment 4.0823 -0.175 -0.17 4.7604 0.25 0.22 0.041 0.1477 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F14 compound treatment 7.6386 3.38 3.2 8.2313 3.72 3.32 4.6111 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F15 compound treatment 3.9839 -0.273 -0.26 4.7387 0.229 0.2 -0.0386 -0.1172 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F16 compound treatment 4.2879 0.0309 0.03 5.1935 0.683 0.61 0.4518 0.7401 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F17 mock treatment 3.9583 -0.299 -0.28 5.1463 0.636 0.57 0.2014 0.3176 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F18 mock treatment 4.4154 0.158 0.15 4.8418 0.332 0.3 0.3153 0.9504 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F19 compound treatment 3.1079 -1.15 -1.09 2.7405 -1.77 -1.58 -1.8855 -0.9835 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F20 compound treatment 4.1962 -0.0608 -0.06 5.6957 1.19 1.06 0.7073 0.6677 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F21 compound treatment 3.9456 -0.311 -0.29 4.5793 0.0693 0.06 -0.1647 -0.5469 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F22 compound treatment 4.192 -0.065 -0.06 4.8321 0.322 0.29 0.1596 0.5432 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F23 compound treatment 4.4909 0.234 0.22 4.505 -0.00509 0.0 0.1533 0.6924 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 F24 compound treatment 3.6597 -0.597 -0.57 4.743 0.233 0.21 -0.2528 -0.4198 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G01 compound treatment 5.8422 1.59 1.5 4.6526 0.143 0.13 1.151 0.7643 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G02 compound treatment 5.1852 0.928 0.88 4.9943 0.484 0.43 0.9267 0.9466 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G03 mock treatment 4.6076 0.351 0.33 4.6097 0.0996 0.09 0.2975 0.866 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G04 mock treatment 4.5953 0.338 0.32 4.5645 0.0545 0.05 0.2608 0.8052 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G05 compound treatment 4.4297 0.173 0.16 4.4635 -0.0466 -0.04 0.0862 0.5112 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G06 compound treatment 4.9692 0.712 0.67 5.097 0.587 0.52 0.847 0.9922 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G07 compound treatment 4.5164 0.259 0.25 4.9444 0.434 0.39 0.4477 0.9758 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G08 compound treatment 2.4322 -1.82 -1.73 2.8402 -1.67 -1.49 -2.2749 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G09 compound treatment 4.8713 0.614 0.58 5.1341 0.624 0.56 0.8049 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G10 compound treatment 4.8333 0.576 0.55 4.7146 0.205 0.18 0.5148 0.8949 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G11 compound treatment 5.5727 1.32 1.25 4.8623 0.352 0.31 1.1029 0.8586 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G12 compound treatment 5.1964 0.939 0.89 5.8409 1.33 1.19 1.4684 0.9899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G13 compound treatment 5.0534 0.796 0.75 4.5994 0.0894 0.08 0.5894 0.7776 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G14 compound treatment 4.4509 0.194 0.18 5.4937 0.984 0.88 0.7503 0.8369 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G15 compound treatment 6.0079 1.75 1.66 6.1969 1.69 1.51 2.2362 0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G16 compound treatment 7.6069 3.35 3.17 6.9696 2.46 2.19 3.794 0.9838 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G17 compound treatment 4.7418 0.485 0.46 4.6857 0.176 0.16 0.4353 0.8977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G18 compound treatment 1.924 -2.33 -2.21 2.0748 -2.44 -2.17 -3.0979 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G19 mock treatment 4.9856 0.729 0.69 4.5261 0.0161 0.01 0.4978 0.7216 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G20 mock treatment 4.2216 -0.0354 -0.03 5.009 0.499 0.45 0.2911 0.6521 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G21 compound treatment 1.9571 -2.3 -2.18 2.5172 -1.99 -1.78 -2.7967 -0.9949 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G22 compound treatment 4.4415 0.184 0.17 4.1772 -0.333 -0.3 -0.0865 -0.2511 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G23 compound treatment 4.7468 0.49 0.46 4.9734 0.463 0.41 0.6201 0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 G24 compound treatment 2.8367 -1.42 -1.34 3.5861 -0.924 -0.82 -1.5335 -0.9724 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H01 compound treatment 4.0737 -0.183 -0.17 4.2525 -0.258 -0.23 -0.2851 -0.9904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H02 compound treatment 4.375 0.118 0.11 4.0314 -0.479 -0.43 -0.223 -0.5052 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H03 mock treatment 4.6911 0.434 0.41 4.6954 0.185 0.17 0.4075 0.92 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H04 mock treatment 4.5972 0.34 0.32 4.1878 -0.322 -0.29 0.0244 0.0566 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H05 compound treatment 4.6247 0.368 0.35 4.7282 0.218 0.19 0.3838 0.9623 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H06 compound treatment 2.6214 -1.64 -1.55 2.7562 -1.75 -1.56 -2.2013 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H07 compound treatment 4.362 0.105 0.1 4.7713 0.261 0.23 0.2351 0.9278 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H08 compound treatment 4.0184 -0.239 -0.23 4.873 0.363 0.32 0.0693 0.1754 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H09 compound treatment 10.3917 6.13 5.81 8.0395 3.53 3.15 6.3329 0.9587 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H10 compound treatment 4.4081 0.151 0.14 4.7903 0.28 0.25 0.2779 0.9648 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H11 compound treatment 5.0639 0.807 0.76 5.6506 1.14 1.02 1.2597 0.99 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H12 compound treatment 5.0349 0.778 0.74 5.3626 0.853 0.76 1.0585 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H13 compound treatment 4.0436 -0.213 -0.2 4.1497 -0.36 -0.32 -0.3701 -0.9749 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H14 compound treatment 5.5095 1.25 1.19 5.3017 0.792 0.71 1.3378 0.9694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H15 compound treatment 4.635 0.378 0.36 4.5106 5.61E-4 0.0 0.2534 0.7081 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H16 compound treatment 5.2036 0.947 0.9 5.7476 1.24 1.1 1.4143 0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H17 compound treatment 4.6797 0.423 0.4 5.2429 0.733 0.65 0.7453 0.9722 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H18 compound treatment 4.7868 0.53 0.5 5.0853 0.575 0.51 0.7175 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H19 mock treatment 4.2416 -0.0154 -0.01 4.9939 0.484 0.43 0.2949 0.6828 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H20 mock treatment 4.8316 0.575 0.54 4.9118 0.402 0.36 0.638 0.9795 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H21 compound treatment 4.3104 0.0534 0.05 4.4065 -0.104 -0.09 -0.0296 -0.2809 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H22 compound treatment 3.5955 -0.661 -0.63 4.4416 -0.0684 -0.06 -0.4859 -0.7724 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H23 compound treatment 1.1964 -3.06 -2.9 1.3389 -3.17 -2.83 -4.0493 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 H24 compound treatment 4.3628 0.106 0.1 4.2636 -0.246 -0.22 -0.0847 -0.3506 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I01 compound treatment 4.2526 -0.00446 0.0 4.0729 -0.437 -0.39 -0.2788 -0.7147 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I02 compound treatment 4.6263 0.369 0.35 4.6593 0.149 0.13 0.3414 0.9125 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I03 compound treatment 4.6564 0.399 0.38 3.9839 -0.526 -0.47 -0.0646 -0.1072 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I04 compound treatment 4.6864 0.429 0.41 4.3557 -0.154 -0.14 0.19 0.4428 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I05 mock treatment 5.2563 0.999 0.95 4.7297 0.22 0.2 0.8074 0.8359 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I06 mock treatment 4.2867 0.0297 0.03 4.6756 0.166 0.15 0.1243 0.8267 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I07 compound treatment 5.3116 1.05 1.0 5.519 1.01 0.9 1.3424 0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I08 compound treatment 3.0422 -1.21 -1.15 3.3589 -1.15 -1.03 -1.5394 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I09 compound treatment 3.6493 -0.608 -0.58 3.4291 -1.08 -0.96 -1.0887 -0.9695 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I10 compound treatment 4.9277 0.671 0.63 5.1422 0.632 0.56 0.8478 0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I11 compound treatment 4.2063 -0.0507 -0.05 4.1352 -0.375 -0.33 -0.2704 -0.8005 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I12 compound treatment 6.1329 1.88 1.78 7.1442 2.63 2.35 2.9175 0.9904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I13 compound treatment 4.6841 0.427 0.4 5.5644 1.05 0.94 0.951 0.9288 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I14 compound treatment 4.5942 0.337 0.32 5.6039 1.09 0.98 0.9158 0.8919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I15 compound treatment 3.8473 -0.41 -0.39 3.0348 -1.48 -1.32 -1.2049 -0.8781 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I16 compound treatment 3.1352 -1.12 -1.06 3.3096 -1.2 -1.07 -1.5083 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I17 compound treatment 5.2664 1.01 0.96 4.1892 -0.321 -0.29 0.4732 0.4744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I18 compound treatment 5.2642 1.01 0.95 4.8893 0.379 0.34 0.9135 0.9029 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I19 compound treatment 4.5564 0.299 0.28 4.5301 0.0201 0.02 0.2131 0.7503 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I20 compound treatment 4.2523 -0.00467 0.0 5.2595 0.749 0.67 0.4697 0.7024 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I21 mock treatment 4.001 -0.256 -0.24 4.8702 0.36 0.32 0.0559 0.1389 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I22 mock treatment 4.1411 -0.116 -0.11 5.6575 1.15 1.02 0.6463 0.6277 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I23 compound treatment 4.049 -0.208 -0.2 4.2825 -0.228 -0.2 -0.2828 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 I24 compound treatment 3.7364 -0.521 -0.49 4.4579 -0.0521 -0.05 -0.3814 -0.7704 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J01 compound treatment 4.0221 -0.235 -0.22 3.7707 -0.739 -0.66 -0.6237 -0.896 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J02 compound treatment 4.3289 0.0719 0.07 4.9039 0.394 0.35 0.2966 0.8286 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J03 compound treatment 4.8717 0.615 0.58 4.6458 0.136 0.12 0.4971 0.8363 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J04 compound treatment 5.216 0.959 0.91 3.9253 -0.585 -0.52 0.273 0.2607 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J05 mock treatment 4.824 0.567 0.54 4.4601 -0.0499 -0.04 0.348 0.6462 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J06 mock treatment 4.3415 0.0845 0.08 5.0023 0.492 0.44 0.3671 0.8223 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J07 compound treatment 4.7542 0.497 0.47 5.1328 0.623 0.56 0.7256 0.9966 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J08 compound treatment 5.7025 1.45 1.37 6.1957 1.69 1.5 2.031 0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J09 compound treatment 4.1729 -0.0841 -0.08 4.2414 -0.269 -0.24 -0.2258 -0.894 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J10 compound treatment 5.2271 0.97 0.92 4.7456 0.236 0.21 0.7979 0.847 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J11 compound treatment 4.569 0.312 0.3 5.2294 0.719 0.64 0.6627 0.9379 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J12 compound treatment 4.9634 0.706 0.67 4.9567 0.447 0.4 0.7546 0.9694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J13 compound treatment 5.3834 1.13 1.07 4.9988 0.489 0.44 1.0623 0.9222 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J14 compound treatment 5.2251 0.968 0.92 3.6913 -0.819 -0.73 0.1314 0.1121 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J15 compound treatment 3.7748 -0.482 -0.46 5.3451 0.835 0.75 0.204 0.2335 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J16 compound treatment 5.047 0.79 0.75 4.0432 -0.467 -0.42 0.2342 0.2736 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J17 compound treatment 5.0106 0.754 0.71 5.0034 0.493 0.44 0.8156 0.9731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J18 compound treatment 5.8942 1.64 1.55 6.0983 1.59 1.42 2.0978 0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J19 compound treatment 4.2833 0.0263 0.02 4.2387 -0.271 -0.24 -0.1536 -0.6312 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J20 compound treatment 3.9106 -0.346 -0.33 5.1439 0.634 0.57 0.168 0.257 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J21 mock treatment 4.5143 0.257 0.24 4.534 0.024 0.02 0.1874 0.7663 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J22 mock treatment 4.3227 0.0657 0.06 4.3462 -0.164 -0.15 -0.0594 -0.374 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J23 compound treatment 5.3985 1.14 1.08 6.2406 1.73 1.54 1.8558 0.9848 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 J24 compound treatment 3.3891 -0.868 -0.82 4.7288 0.219 0.2 -0.4429 -0.5245 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K01 compound treatment 5.7776 1.52 1.44 4.6745 0.164 0.15 1.1216 0.7752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K02 compound treatment 4.233 -0.024 -0.02 4.4514 -0.0586 -0.05 -0.0531 -0.9306 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K03 compound treatment 4.4036 0.147 0.14 3.9858 -0.524 -0.47 -0.2326 -0.4768 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K04 compound treatment 6.2314 1.97 1.87 4.316 -0.194 -0.17 1.1991 0.6389 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K05 compound treatment 4.3413 0.0843 0.08 3.8362 -0.674 -0.6 -0.3687 -0.6079 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K06 compound treatment 4.081 -0.176 -0.17 3.8682 -0.642 -0.57 -0.5228 -0.8765 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K07 mock treatment 4.3101 0.0531 0.05 4.4622 -0.0478 -0.04 0.0053 0.081 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K08 mock treatment 4.2497 -0.00729 -0.01 4.4905 -0.0196 -0.02 -0.0172 -0.9177 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K09 compound treatment 4.684 0.427 0.4 4.8235 0.313 0.28 0.4835 0.9838 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K10 compound treatment 4.2122 -0.0448 -0.04 3.0258 -1.48 -1.32 -0.9664 -0.7294 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K11 compound treatment 5.7204 1.46 1.39 4.7934 0.283 0.25 1.1583 0.8226 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K12 compound treatment 2.9059 -1.35 -1.28 2.6919 -1.82 -1.62 -2.0514 -0.9931 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K13 compound treatment 4.1924 -0.0646 -0.06 4.2947 -0.215 -0.19 -0.1791 -0.8883 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K14 compound treatment 4.2503 -0.00677 -0.01 4.8704 0.36 0.32 0.2228 0.6929 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K15 mock treatment 3.8432 -0.414 -0.39 6.2662 1.76 1.57 0.8309 0.5145 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K16 mock treatment 4.4609 0.204 0.19 3.8518 -0.658 -0.59 -0.2789 -0.4511 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K17 compound treatment 4.7242 0.467 0.44 3.9422 -0.568 -0.51 -0.0455 -0.0677 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K18 compound treatment 5.5666 1.31 1.24 5.5468 1.04 0.93 1.5306 0.9896 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K19 compound treatment 3.7616 -0.495 -0.47 4.4596 -0.0505 -0.05 -0.3634 -0.7715 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K20 compound treatment 4.4228 0.166 0.16 4.2455 -0.265 -0.24 -0.0559 -0.1973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K21 compound treatment 4.4836 0.227 0.21 4.2367 -0.273 -0.24 -0.0208 -0.0641 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K22 compound treatment 3.6246 -0.632 -0.6 3.7784 -0.732 -0.65 -0.8849 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K23 mock treatment 3.9274 -0.33 -0.31 5.3157 0.806 0.72 0.2877 0.3671 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 K24 mock treatment 3.6483 -0.609 -0.58 4.066 -0.444 -0.4 -0.6876 -0.9833 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L01 compound treatment 5.0222 0.765 0.72 4.2522 -0.258 -0.23 0.3495 0.4599 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L02 compound treatment 4.3571 0.1 0.09 3.688 -0.822 -0.73 -0.4517 -0.6107 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L03 compound treatment 3.9635 -0.293 -0.28 3.5596 -0.95 -0.85 -0.7961 -0.8921 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L04 compound treatment 4.7602 0.503 0.48 4.7428 0.233 0.21 0.4836 0.9307 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L05 compound treatment 3.9922 -0.265 -0.25 3.879 -0.631 -0.56 -0.5754 -0.9336 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L06 compound treatment 4.4514 0.194 0.18 4.1443 -0.366 -0.33 -0.1006 -0.2685 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L07 mock treatment 4.5234 0.266 0.25 4.5705 0.0605 0.05 0.2165 0.8394 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L08 mock treatment 4.0087 -0.248 -0.24 3.7469 -0.763 -0.68 -0.6477 -0.8992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L09 compound treatment 4.103 -0.154 -0.15 3.9391 -0.571 -0.51 -0.4633 -0.8744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L10 compound treatment 4.8418 0.585 0.55 4.4831 -0.027 -0.02 0.3744 0.6758 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L11 compound treatment 3.6205 -0.636 -0.6 3.7222 -0.788 -0.7 -0.923 -0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L12 compound treatment 4.3967 0.14 0.13 4.0467 -0.463 -0.41 -0.1988 -0.458 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L13 compound treatment 5.194 0.937 0.89 4.8722 0.362 0.32 0.8556 0.9064 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L14 compound treatment 4.2192 -0.0378 -0.04 4.4581 -0.0519 -0.05 -0.058 -0.9918 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L15 mock treatment 4.3724 0.115 0.11 5.3256 0.816 0.73 0.5918 0.8042 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L16 mock treatment 4.1509 -0.106 -0.1 4.7719 0.262 0.23 0.0941 0.3702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L17 compound treatment 4.8777 0.621 0.59 6.0927 1.58 1.41 1.4139 0.9245 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L18 compound treatment 4.1751 -0.0819 -0.08 4.5406 0.0305 0.03 -0.0356 -0.4331 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L19 compound treatment 5.0288 0.772 0.73 4.9616 0.452 0.4 0.8015 0.9607 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L20 compound treatment 6.4887 2.23 2.11 7.0986 2.59 2.31 3.1269 0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L21 compound treatment 8.3337 4.08 3.86 6.7971 2.29 2.04 4.1716 0.9556 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L22 compound treatment 4.0912 -0.166 -0.16 4.9952 0.485 0.43 0.195 0.4236 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L23 mock treatment 3.6924 -0.565 -0.53 5.2415 0.731 0.65 0.0835 0.099 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 L24 mock treatment 3.4219 -0.835 -0.79 4.2679 -0.242 -0.22 -0.7117 -0.8685 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M01 compound treatment 4.1331 -0.124 -0.12 3.1393 -1.37 -1.22 -0.9478 -0.7714 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M02 compound treatment 3.8037 -0.453 -0.43 3.3447 -1.17 -1.04 -1.0387 -0.9234 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M03 compound treatment 5.0798 0.823 0.78 3.8101 -0.7 -0.62 0.1091 0.1093 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M04 compound treatment 3.7043 -0.553 -0.52 3.6282 -0.882 -0.79 -0.9263 -0.9803 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M05 compound treatment 4.1055 -0.152 -0.14 4.5518 0.0417 0.04 -0.0751 -0.5067 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M06 compound treatment 3.904 -0.353 -0.33 4.2109 -0.299 -0.27 -0.425 -0.9938 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M07 compound treatment 4.6208 0.364 0.34 4.4635 -0.0466 -0.04 0.2141 0.6173 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M08 compound treatment 3.8676 -0.389 -0.37 4.0413 -0.469 -0.42 -0.5564 -0.998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M09 mock treatment 4.0614 -0.196 -0.19 4.2606 -0.249 -0.22 -0.2883 -0.9958 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M10 mock treatment 4.9894 0.732 0.69 4.1356 -0.374 -0.33 0.254 0.33 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M11 compound treatment 3.742 -0.515 -0.49 3.5356 -0.974 -0.87 -0.9595 -0.9626 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M12 compound treatment 4.8921 0.635 0.6 4.4357 -0.0744 -0.07 0.3782 0.6252 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M13 mock treatment 4.2244 -0.0326 -0.03 4.5592 0.0492 0.04 0.0092 0.1714 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M14 mock treatment 4.3929 0.136 0.13 4.4795 -0.0305 -0.03 0.0717 0.5453 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M15 compound treatment 4.5771 0.32 0.3 5.5974 1.09 0.97 0.9002 0.8858 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M16 compound treatment 4.0766 -0.18 -0.17 4.7024 0.192 0.17 6.0E-4 0.0024 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M17 compound treatment 4.0474 -0.21 -0.2 4.4118 -0.0982 -0.09 -0.2023 -0.9325 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M18 compound treatment 4.0726 -0.184 -0.17 2.7486 -1.76 -1.57 -1.2347 -0.7808 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M19 compound treatment 3.3631 -0.894 -0.85 3.235 -1.28 -1.14 -1.4027 -0.9894 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M20 compound treatment 5.2365 0.979 0.93 4.7315 0.221 0.2 0.7953 0.8389 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M21 compound treatment 4.5927 0.336 0.32 4.1987 -0.311 -0.28 0.0283 0.067 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M22 compound treatment 3.4132 -0.844 -0.8 3.932 -0.578 -0.52 -0.9295 -0.9776 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M23 compound treatment 4.4067 0.15 0.14 5.1149 0.605 0.54 0.4818 0.8635 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 M24 compound treatment 5.4462 1.19 1.13 7.6909 3.18 2.84 2.8027 0.918 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N01 compound treatment 3.5657 -0.691 -0.65 3.4745 -1.04 -0.92 -1.116 -0.9857 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N02 compound treatment 5.5963 1.34 1.27 5.1567 0.647 0.58 1.3044 0.9365 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N03 compound treatment 4.8472 0.59 0.56 4.4598 -0.0503 -0.04 0.3633 0.6482 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N04 compound treatment 4.1387 -0.118 -0.11 4.0615 -0.449 -0.4 -0.3622 -0.8715 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N05 compound treatment 5.6705 1.41 1.34 4.723 0.213 0.19 1.0804 0.7995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N06 compound treatment 3.0898 -1.17 -1.1 3.7453 -0.765 -0.68 -1.2637 -0.9732 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N07 compound treatment 3.5975 -0.66 -0.62 3.6344 -0.876 -0.78 -0.9939 -0.9938 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N08 compound treatment 4.0505 -0.207 -0.2 4.595 0.085 0.08 -0.0847 -0.4037 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N09 mock treatment 4.1604 -0.0966 -0.09 4.902 0.392 0.35 0.1826 0.5052 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N10 mock treatment 4.3623 0.105 0.1 4.4173 -0.0928 -0.08 0.0119 0.092 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N11 compound treatment 4.4407 0.184 0.17 4.8768 0.367 0.33 0.3543 0.9562 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N12 compound treatment 4.7244 0.467 0.44 4.6764 0.166 0.15 0.4178 0.8953 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N13 mock treatment 4.3057 0.0487 0.05 5.0895 0.579 0.52 0.3982 0.7671 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N14 mock treatment 4.9659 0.709 0.67 4.5 -0.0101 -0.01 0.4681 0.6976 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N15 compound treatment 4.9077 0.651 0.62 4.1191 -0.391 -0.35 0.1889 0.2668 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N16 compound treatment 4.1828 -0.0742 -0.07 4.5144 0.00431 0.0 -0.047 -0.6674 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N17 compound treatment 5.1877 0.931 0.88 3.7062 -0.804 -0.72 0.1158 0.1019 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N18 compound treatment 4.7601 0.503 0.48 4.2147 -0.295 -0.26 0.1503 0.2762 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N19 compound treatment 3.8335 -0.424 -0.4 4.4627 -0.0473 -0.04 -0.3133 -0.7773 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N20 compound treatment 6.92 2.66 2.52 5.1436 0.634 0.57 2.1822 0.8447 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N21 compound treatment 4.4416 0.185 0.17 3.793 -0.717 -0.64 -0.3288 -0.4958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N22 compound treatment 4.7745 0.517 0.49 5.3741 0.864 0.77 0.8915 0.976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N23 compound treatment 4.185 -0.0721 -0.07 4.7152 0.205 0.18 0.0812 0.4157 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 N24 compound treatment 4.8069 0.55 0.52 5.3407 0.831 0.74 0.8921 0.9851 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O01 compound treatment 3.8285 -0.429 -0.41 3.9438 -0.566 -0.51 -0.644 -0.9941 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O02 compound treatment 6.2068 1.95 1.85 5.4388 0.929 0.83 1.891 0.9347 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O03 compound treatment 3.5166 -0.74 -0.7 4.2515 -0.259 -0.23 -0.6587 -0.8927 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O04 compound treatment 1.8528 -2.4 -2.28 1.8252 -2.68 -2.4 -3.303 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O05 compound treatment 4.0503 -0.207 -0.2 3.5538 -0.956 -0.85 -0.7417 -0.8473 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O06 compound treatment 3.741 -0.516 -0.49 3.6464 -0.864 -0.77 -0.8902 -0.9758 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O07 compound treatment 3.841 -0.416 -0.39 3.3852 -1.12 -1.0 -0.9881 -0.9165 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O08 compound treatment 3.9475 -0.309 -0.29 4.1922 -0.318 -0.28 -0.4077 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O09 compound treatment 3.2227 -1.03 -0.98 2.7264 -1.78 -1.59 -1.8175 -0.9728 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O10 compound treatment 4.0326 -0.224 -0.21 3.8646 -0.645 -0.58 -0.5574 -0.9081 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O11 mock treatment 3.5962 -0.661 -0.63 3.228 -1.28 -1.14 -1.2511 -0.9597 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O12 mock treatment 3.0864 -1.17 -1.11 3.0977 -1.41 -1.26 -1.6746 -0.9979 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O13 compound treatment 3.3656 -0.891 -0.84 3.625 -0.885 -0.79 -1.155 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O14 compound treatment 4.2073 -0.0497 -0.05 4.5795 0.0695 0.06 0.0106 0.1359 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O15 compound treatment 3.7206 -0.536 -0.51 3.7945 -0.716 -0.64 -0.8105 -0.9936 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O16 compound treatment 3.5902 -0.667 -0.63 4.2307 -0.279 -0.25 -0.6226 -0.9174 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O17 compound treatment 3.4687 -0.788 -0.75 3.9772 -0.533 -0.48 -0.8638 -0.9763 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O18 compound treatment 3.5918 -0.665 -0.63 3.5645 -0.946 -0.84 -1.0418 -0.9896 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O19 compound treatment 3.4952 -0.762 -0.72 3.5575 -0.953 -0.85 -1.1109 -0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O20 compound treatment 3.1569 -1.1 -1.04 3.6241 -0.886 -0.79 -1.2953 -0.9907 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O21 compound treatment 3.257 -1.0 -0.95 2.897 -1.61 -1.44 -1.687 -0.9794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O22 compound treatment 3.2751 -0.982 -0.93 3.9344 -0.576 -0.51 -1.0205 -0.9609 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O23 compound treatment 3.267 -0.99 -0.94 4.4212 -0.0888 -0.08 -0.7187 -0.7642 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 O24 compound treatment 2.3851 -1.87 -1.77 2.7559 -1.75 -1.57 -2.3596 -0.9981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P01 compound treatment 3.2881 -0.969 -0.92 3.4824 -1.03 -0.92 -1.2969 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P02 compound treatment 4.0104 -0.247 -0.23 4.6131 0.103 0.09 -0.1 -0.3986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P03 compound treatment 3.9817 -0.275 -0.26 3.7984 -0.712 -0.63 -0.6332 -0.9226 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P04 compound treatment 4.283 0.026 0.02 4.007 -0.503 -0.45 -0.3 -0.6674 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P05 compound treatment 3.0598 -1.2 -1.13 3.5124 -0.998 -0.89 -1.4308 -0.9929 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P06 compound treatment 3.4717 -0.785 -0.74 3.5806 -0.929 -0.83 -1.112 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P07 compound treatment 4.1421 -0.115 -0.11 3.2028 -1.31 -1.17 -0.9017 -0.7697 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P08 compound treatment 3.3312 -0.926 -0.88 3.5784 -0.932 -0.83 -1.2074 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P09 compound treatment 3.3155 -0.941 -0.89 3.182 -1.33 -1.18 -1.468 -0.9901 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P10 compound treatment 4.1443 -0.113 -0.11 3.7707 -0.739 -0.66 -0.5419 -0.8109 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P11 mock treatment 3.3002 -0.957 -0.91 3.5611 -0.949 -0.85 -1.2391 -0.9994 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P12 mock treatment 3.2985 -0.959 -0.91 3.7003 -0.81 -0.72 -1.1525 -0.9936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P13 compound treatment 3.0995 -1.16 -1.1 3.6696 -0.84 -0.75 -1.305 -0.9829 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P14 compound treatment 3.0556 -1.2 -1.14 3.4632 -1.05 -0.93 -1.4646 -0.9952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P15 compound treatment 3.4531 -0.804 -0.76 3.7959 -0.714 -0.64 -0.9887 -0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P16 compound treatment 6.1692 1.91 1.81 5.9982 1.49 1.33 2.2187 0.9884 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P17 compound treatment 3.7369 -0.52 -0.49 4.2201 -0.29 -0.26 -0.5311 -0.9549 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P18 compound treatment 4.7623 0.505 0.48 5.7647 1.25 1.12 1.1297 0.9281 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P19 compound treatment 4.0922 -0.165 -0.16 3.7954 -0.715 -0.64 -0.5611 -0.8549 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P20 compound treatment 3.7664 -0.491 -0.46 4.2642 -0.246 -0.22 -0.4835 -0.9414 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P21 compound treatment 3.8709 -0.386 -0.37 3.7496 -0.76 -0.68 -0.7382 -0.9579 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P22 compound treatment 2.8375 -1.42 -1.34 3.1856 -1.32 -1.18 -1.7857 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P23 compound treatment 4.5056 0.249 0.24 4.1937 -0.316 -0.28 -0.0332 -0.0904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2098 P24 compound treatment 2.062 -2.2 -2.08 1.8827 -2.63 -2.34 -3.1268 -0.9982 3189006 PK04_098320 CC(C)[Si](OCCCNS(=O)(=O)c1ccc(Br)cc1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A01 compound treatment 6.4339 2.33 2.21 6.4848 2.26 2.01 2.9837 0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A02 compound treatment 7.2942 3.19 3.02 7.2713 3.04 2.72 4.0557 0.9986 3052649 PK04_100002 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A03 compound treatment 6.8813 2.78 2.63 8.6318 4.4 3.93 4.6377 0.9809 3176622 PK04_100003 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A04 compound treatment 7.258 3.15 2.99 9.0934 4.87 4.34 5.181 0.9833 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A05 compound treatment 6.1014 2.0 1.89 5.0374 0.81 0.72 1.848 0.9131 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A06 compound treatment 6.0 1.9 1.79 7.886 3.66 3.26 3.5772 0.9603 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A07 compound treatment 4.4027 0.298 0.28 4.8585 0.631 0.56 0.5981 0.949 3175901 PK04_100007 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A08 compound treatment 4.177 0.0727 0.07 5.728 1.5 1.34 0.9956 0.7424 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A09 compound treatment 4.4492 0.345 0.33 6.3964 2.17 1.94 1.5994 0.8148 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A10 compound treatment 4.2263 0.122 0.12 4.6932 0.466 0.42 0.3757 0.8704 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A11 compound treatment 3.4082 -0.696 -0.66 3.9714 -0.256 -0.23 -0.6272 -0.8994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A12 compound treatment 5.1703 1.07 1.01 5.1871 0.96 0.86 1.3193 0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A13 mock treatment 4.3367 0.232 0.22 4.881 0.654 0.58 0.5682 0.9111 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A14 mock treatment 4.6893 0.585 0.55 4.1167 -0.11 -0.1 0.322 0.5725 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A15 compound treatment 4.8351 0.731 0.69 3.9109 -0.316 -0.28 0.2897 0.3878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A16 compound treatment 4.5345 0.43 0.41 3.8994 -0.328 -0.29 0.0812 0.1621 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A17 compound treatment 3.9971 -0.107 -0.1 3.9146 -0.312 -0.28 -0.2689 -0.9064 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A18 compound treatment 4.4066 0.302 0.29 4.7389 0.512 0.46 0.5253 0.9746 3176262 PK04_100016 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A19 compound treatment 6.0323 1.93 1.82 6.0205 1.79 1.6 2.4219 0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A20 compound treatment 5.2915 1.19 1.12 5.3955 1.17 1.04 1.5318 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A21 compound treatment 8.1647 4.06 3.84 11.451 7.22 6.45 7.2753 0.9695 3052829 PK04_100019 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A22 compound treatment 3.9257 -0.179 -0.17 3.9563 -0.271 -0.24 -0.2904 -0.9848 3052833 PK04_100020 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A23 compound treatment 5.2567 1.15 1.09 5.6938 1.47 1.31 1.6967 0.9959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 A24 compound treatment 4.9045 0.8 0.76 3.9653 -0.262 -0.23 0.3705 0.4674 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B01 compound treatment 5.1912 1.09 1.03 4.5286 0.302 0.27 0.9177 0.863 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B02 compound treatment 5.6049 1.5 1.42 4.8879 0.661 0.59 1.4213 0.9242 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B03 compound treatment 5.1903 1.09 1.03 4.7075 0.481 0.43 1.03 0.9248 3052842 PK04_100025 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B04 compound treatment 6.9298 2.83 2.67 6.7932 2.57 2.29 3.5102 0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B05 compound treatment 5.053 0.949 0.9 5.3179 1.09 0.97 1.3232 0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B06 compound treatment 4.6807 0.576 0.55 5.5396 1.31 1.17 1.2138 0.9395 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B07 compound treatment 4.1378 0.0334 0.03 4.2375 0.0105 0.01 0.029 0.8788 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B08 compound treatment 4.0505 -0.0539 -0.05 5.3294 1.1 0.98 0.6594 0.6695 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B09 compound treatment 4.9598 0.855 0.81 4.9024 0.675 0.6 0.9987 0.9894 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B10 compound treatment 6.2314 2.13 2.01 6.8285 2.6 2.32 3.065 0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B11 compound treatment 4.4945 0.39 0.37 4.065 -0.162 -0.14 0.159 0.4008 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B12 compound treatment 6.9806 2.88 2.72 8.4545 4.23 3.77 4.5923 0.9872 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B13 mock treatment 3.966 -0.138 -0.13 4.0994 -0.128 -0.11 -0.1731 -0.9976 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B14 mock treatment 4.5863 0.482 0.46 4.5773 0.35 0.31 0.5436 0.983 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B15 compound treatment 6.1234 2.02 1.91 4.3751 0.148 0.13 1.4449 0.7542 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B16 compound treatment 3.84 -0.264 -0.25 3.6305 -0.597 -0.53 -0.5533 -0.9408 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B17 compound treatment 6.4933 2.39 2.26 4.7127 0.486 0.43 1.9055 0.8276 3176194 PK04_100037 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B18 compound treatment 3.8126 -0.292 -0.28 4.1684 -0.0586 -0.05 -0.2322 -0.8262 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B19 compound treatment 4.8242 0.72 0.68 4.4205 0.194 0.17 0.6039 0.8591 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B20 compound treatment 4.6979 0.594 0.56 3.7728 -0.454 -0.41 0.1107 0.1598 3176678 PK04_100040 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B21 compound treatment 4.0059 -0.0985 -0.09 4.4869 0.26 0.23 0.0981 0.3923 3176260 PK04_100041 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B22 compound treatment 7.0378 2.93 2.78 7.3279 3.1 2.77 3.9198 1.0 3176621 PK04_100042 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B23 compound treatment 4.0797 -0.0247 -0.02 3.7636 -0.463 -0.41 -0.3089 -0.7459 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 B24 compound treatment 3.6394 -0.465 -0.44 3.7395 -0.488 -0.43 -0.6188 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C01 compound treatment 4.6135 0.509 0.48 4.6671 0.44 0.39 0.6184 0.9948 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C02 compound treatment 7.6069 3.5 3.32 8.4559 4.23 3.77 5.0123 0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C03 compound treatment 8.0074 3.9 3.69 9.8673 5.64 5.03 6.1709 0.9885 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C04 compound treatment 8.6106 4.51 4.27 7.9406 3.71 3.31 5.3591 0.9922 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C05 compound treatment 6.3656 2.26 2.14 6.4207 2.19 1.96 2.8976 0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C06 compound treatment 6.4055 2.3 2.18 8.1726 3.95 3.52 4.0295 0.9734 3176680 PK04_100050 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C07 compound treatment 6.3463 2.24 2.12 7.0944 2.87 2.56 3.3097 0.9957 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C08 compound treatment 5.7441 1.64 1.55 6.9887 2.76 2.46 2.8399 0.9752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C09 compound treatment 4.5277 0.423 0.4 4.3632 0.136 0.12 0.3693 0.8819 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C10 compound treatment 3.9544 -0.15 -0.14 4.079 -0.148 -0.13 -0.1937 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C11 mock treatment 4.4083 0.304 0.29 4.8766 0.65 0.58 0.6133 0.9478 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C12 mock treatment 3.8543 -0.25 -0.24 3.5468 -0.68 -0.61 -0.5965 -0.9158 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C13 compound treatment 4.401 0.297 0.28 4.1966 -0.0303 -0.03 0.1794 0.636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C14 compound treatment 3.5369 -0.567 -0.54 4.4035 0.177 0.16 -0.2685 -0.4796 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C15 mock treatment 3.6721 -0.432 -0.41 4.0772 -0.15 -0.13 -0.3839 -0.8917 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C16 mock treatment 3.7789 -0.325 -0.31 3.6364 -0.591 -0.53 -0.5904 -0.9673 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C17 compound treatment 5.0416 0.937 0.89 5.5907 1.36 1.22 1.4877 0.988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C18 compound treatment 4.3853 0.281 0.27 4.2992 0.0722 0.06 0.2336 0.8537 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C19 compound treatment 5.5127 1.41 1.33 4.9383 0.711 0.63 1.3915 0.9424 3176124 PK04_100059 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C20 compound treatment 3.8408 -0.264 -0.25 3.9815 -0.245 -0.22 -0.3312 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C21 compound treatment 7.595 3.49 3.3 7.8867 3.66 3.27 4.6453 1.0 3052792 PK04_100061 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C22 compound treatment 3.7914 -0.313 -0.3 4.4491 0.222 0.2 -0.0693 -0.1945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C23 compound treatment 8.6156 4.51 4.27 8.3481 4.12 3.68 5.6195 0.9972 3176204 PK04_100063 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 C24 compound treatment 4.2509 0.146 0.14 4.312 0.085 0.08 0.1517 0.9597 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D01 compound treatment 4.8521 0.748 0.71 3.8732 -0.354 -0.32 0.2773 0.3578 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D02 compound treatment 4.0138 -0.0906 -0.09 4.6155 0.389 0.35 0.1845 0.5167 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D03 compound treatment 4.0724 -0.032 -0.03 4.4811 0.254 0.23 0.1389 0.6073 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D04 compound treatment 6.4877 2.38 2.26 6.5612 2.33 2.08 3.0679 0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D05 compound treatment 4.6973 0.593 0.56 4.5982 0.371 0.33 0.6311 0.9683 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D06 compound treatment 5.8307 1.73 1.63 4.2225 -0.0045 0.0 1.1527 0.7054 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D07 compound treatment 4.3738 0.269 0.26 5.7174 1.49 1.33 1.1207 0.8277 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D08 compound treatment 3.6051 -0.499 -0.47 4.1305 -0.0965 -0.09 -0.395 -0.8224 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D09 compound treatment 3.902 -0.202 -0.19 4.4723 0.245 0.22 0.0194 0.0666 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D10 compound treatment 5.5624 1.46 1.38 5.9813 1.75 1.57 2.0827 0.998 3052841 PK04_100074 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D11 mock treatment 3.9213 -0.183 -0.17 3.8288 -0.398 -0.36 -0.3738 -0.9456 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D12 mock treatment 3.8232 -0.281 -0.27 4.1794 -0.0476 -0.04 -0.2182 -0.8097 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D13 compound treatment 3.9706 -0.134 -0.13 3.7117 -0.515 -0.46 -0.4146 -0.8695 3176624 PK04_100075 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D14 compound treatment 6.1533 2.05 1.94 4.9271 0.7 0.62 1.8132 0.8898 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D15 mock treatment 3.6945 -0.41 -0.39 4.1749 -0.0521 -0.05 -0.3072 -0.7862 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D16 mock treatment 4.2108 0.106 0.1 3.5482 -0.679 -0.61 -0.357 -0.5815 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D17 compound treatment 3.5424 -0.562 -0.53 3.5373 -0.69 -0.62 -0.8112 -0.9974 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D18 compound treatment 4.2215 0.117 0.11 4.4348 0.208 0.19 0.2095 0.9697 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D19 compound treatment 5.3631 1.26 1.19 4.9394 0.712 0.64 1.292 0.9567 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D20 compound treatment 4.1042 -1.83E-4 0.0 3.4757 -0.751 -0.67 -0.4741 -0.7073 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D21 compound treatment 4.2479 0.144 0.14 4.0321 -0.195 -0.17 -0.0269 -0.1217 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D22 compound treatment 4.7287 0.624 0.59 4.5908 0.364 0.32 0.6474 0.9602 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D23 compound treatment 4.5956 0.491 0.47 3.9855 -0.241 -0.22 0.1765 0.3443 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 D24 compound treatment 4.6418 0.537 0.51 5.5458 1.32 1.18 1.1918 0.9297 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E01 mock treatment 4.5832 0.479 0.45 4.4857 0.259 0.23 0.4837 0.951 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E02 mock treatment 4.5607 0.456 0.43 4.2554 0.0284 0.03 0.3233 0.7473 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E03 compound treatment 8.313 4.21 3.98 7.8627 3.64 3.24 5.1108 0.9948 3176672 PK04_100085 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E04 compound treatment 5.8974 1.79 1.7 6.6531 2.43 2.16 2.7308 0.9928 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E05 compound treatment 7.5307 3.43 3.24 6.6351 2.41 2.15 3.8127 0.98 3176126 PK04_100087 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E06 compound treatment 6.4538 2.35 2.22 6.6875 2.46 2.2 3.1249 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E07 compound treatment 9.2765 5.17 4.9 6.9033 2.68 2.39 5.1504 0.9455 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E08 compound treatment 6.1207 2.02 1.91 7.6865 3.46 3.09 3.5322 0.9733 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E09 mock treatment 3.7646 -0.34 -0.32 5.0102 0.783 0.7 0.2667 0.3467 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E10 mock treatment 4.4451 0.341 0.32 4.3452 0.118 0.11 0.3026 0.8919 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E11 compound treatment 5.3343 1.23 1.16 4.7661 0.539 0.48 1.1634 0.9235 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E12 compound treatment 4.3579 0.254 0.24 4.179 -0.048 -0.04 0.1395 0.572 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E13 compound treatment 4.4258 0.321 0.3 4.6157 0.389 0.35 0.4604 0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E14 compound treatment 4.1223 0.0179 0.02 5.1165 0.89 0.79 0.5732 0.7221 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E15 compound treatment 4.3919 0.287 0.27 4.0363 -0.191 -0.17 0.0721 0.2248 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E16 compound treatment 4.3485 0.244 0.23 4.7743 0.547 0.49 0.5087 0.9416 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E17 mock treatment 4.2318 0.127 0.12 4.0582 -0.169 -0.15 -0.0212 -0.1099 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E18 mock treatment 3.5852 -0.519 -0.49 4.0347 -0.192 -0.17 -0.4688 -0.9007 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E19 compound treatment 3.8893 -0.215 -0.2 3.954 -0.273 -0.24 -0.3161 -0.996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E20 compound treatment 3.7192 -0.385 -0.36 3.9579 -0.269 -0.24 -0.4276 -0.9794 3176676 PK04_100098 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E21 compound treatment 9.1564 5.05 4.78 9.5688 5.34 4.77 6.7517 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E22 compound treatment 5.174 1.07 1.01 4.8395 0.612 0.55 1.1024 0.9581 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E23 compound treatment 4.4831 0.379 0.36 4.3887 0.162 0.14 0.3556 0.92 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 E24 compound treatment 4.6694 0.565 0.53 4.6698 0.443 0.4 0.6576 0.9889 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F01 mock treatment 4.0417 -0.0627 -0.06 4.5365 0.31 0.28 0.1533 0.5428 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F02 mock treatment 3.9719 -0.132 -0.13 4.5501 0.323 0.29 0.1151 0.3663 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F03 compound treatment 4.4936 0.389 0.37 4.7258 0.499 0.45 0.5753 0.9956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F04 compound treatment 4.9537 0.849 0.8 5.0024 0.775 0.69 1.0577 0.9972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F05 compound treatment 4.5209 0.417 0.39 5.0289 0.802 0.72 0.7848 0.9606 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F06 compound treatment 5.4432 1.34 1.27 4.3892 0.162 0.14 0.9985 0.7828 3176627 PK04_100106 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F07 compound treatment 3.7438 -0.361 -0.34 4.6057 0.379 0.34 -0.0024 -0.005 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F08 compound treatment 4.8084 0.704 0.67 4.7464 0.519 0.46 0.7989 0.9842 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F09 mock treatment 4.6384 0.534 0.51 4.3107 0.0838 0.07 0.4103 0.8029 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F10 mock treatment 4.3542 0.25 0.24 4.3211 0.0941 0.08 0.2266 0.9029 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F11 compound treatment 5.0377 0.933 0.88 5.4369 1.21 1.08 1.388 0.9951 3176192 PK04_100109 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F12 compound treatment 6.5502 2.45 2.32 6.7144 2.49 2.22 3.2064 0.9998 3052594 PK04_100110 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F13 compound treatment 3.7912 -0.313 -0.3 4.1659 -0.0611 -0.05 -0.2481 -0.8233 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F14 compound treatment 4.7879 0.684 0.65 5.5654 1.34 1.19 1.3019 0.9586 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F15 compound treatment 3.8176 -0.287 -0.27 3.9367 -0.29 -0.26 -0.3751 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F16 compound treatment 4.7936 0.689 0.65 4.5849 0.358 0.32 0.6871 0.946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F17 mock treatment 4.0626 -0.0418 -0.04 4.351 0.124 0.11 0.0503 0.4277 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F18 mock treatment 4.1027 -0.00166 0.0 4.3864 0.159 0.14 0.0994 0.6992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F19 compound treatment 4.2481 0.144 0.14 4.1072 -0.12 -0.11 0.0207 0.1197 3176625 PK04_100115 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F20 compound treatment 4.2469 0.143 0.13 4.892 0.665 0.59 0.515 0.8463 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F21 compound treatment 3.5955 -0.509 -0.48 4.4588 0.232 0.21 -0.1944 -0.3708 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F22 compound treatment 3.7315 -0.373 -0.35 4.4633 0.236 0.21 -0.1005 -0.2443 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F23 compound treatment 6.6706 2.57 2.43 3.9011 -0.326 -0.29 1.5121 0.6181 3176674 PK04_100119 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 F24 compound treatment 7.4498 3.35 3.17 7.0363 2.81 2.51 4.0116 0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G01 compound treatment 5.0173 0.913 0.86 5.4883 1.26 1.13 1.4068 0.9915 3052845 PK04_100121 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G02 compound treatment 6.1933 2.09 1.98 7.342 3.11 2.78 3.3634 0.9861 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G03 mock treatment 5.3533 1.25 1.18 4.4865 0.26 0.23 0.9997 0.8298 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G04 mock treatment 5.8996 1.8 1.7 3.8788 -0.348 -0.31 0.982 0.5684 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G05 compound treatment 5.4576 1.35 1.28 5.8393 1.61 1.44 1.923 0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G06 compound treatment 6.1388 2.03 1.93 5.7602 1.53 1.37 2.3291 0.986 3176265 PK04_100124 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G07 compound treatment 4.4031 0.299 0.28 5.1857 0.959 0.86 0.8048 0.8933 3052742 PK04_100125 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G08 compound treatment 8.1453 4.04 3.83 7.1524 2.93 2.61 4.5504 0.9826 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G09 compound treatment 6.4332 2.33 2.2 4.3984 0.171 0.15 1.6669 0.7544 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G10 compound treatment 5.2008 1.1 1.04 5.8014 1.57 1.4 1.7272 0.9889 3052650 PK04_100128 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G11 compound treatment 4.8078 0.703 0.67 5.3791 1.15 1.03 1.1977 0.9779 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G12 compound treatment 6.061 1.96 1.85 4.4079 0.181 0.16 1.4238 0.7658 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G13 compound treatment 4.8135 0.709 0.67 4.8083 0.581 0.52 0.8415 0.9919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G14 compound treatment 4.866 0.762 0.72 4.7892 0.562 0.5 0.8645 0.9843 3176196 PK04_100132 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G15 compound treatment 3.9733 -0.131 -0.12 4.5819 0.355 0.32 0.1362 0.4004 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G16 compound treatment 4.8203 0.716 0.68 5.1111 0.884 0.79 1.037 0.9971 3052834 PK04_100134 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G17 compound treatment 5.7622 1.66 1.57 4.1593 -0.0677 -0.06 1.067 0.6794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G18 compound treatment 4.3492 0.245 0.23 4.1785 -0.0485 -0.04 0.1333 0.5653 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G19 mock treatment 4.6162 0.512 0.48 4.4737 0.247 0.22 0.4982 0.9363 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G20 mock treatment 5.664 1.56 1.48 4.307 0.0801 0.07 1.0945 0.7405 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G21 compound treatment 9.6848 5.58 5.28 8.7044 4.48 3.99 6.56 0.9905 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G22 compound treatment 8.8019 4.7 4.45 5.6398 1.41 1.26 4.0356 0.8732 3176261 PK04_100138 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G23 compound treatment 5.5 1.4 1.32 4.3585 0.132 0.12 1.0171 0.7669 3176513 PK04_100139 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 G24 compound treatment 4.5646 0.46 0.44 5.7295 1.5 1.34 1.256 0.891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H01 compound treatment 5.0392 0.935 0.88 4.9711 0.744 0.66 1.0952 0.99 3176557 PK04_100141 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H02 compound treatment 4.8235 0.719 0.68 5.2438 1.02 0.91 1.1229 0.99 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H03 mock treatment 4.8909 0.787 0.74 4.6981 0.471 0.42 0.8237 0.9634 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H04 mock treatment 4.6859 0.581 0.55 4.5799 0.353 0.31 0.6119 0.9649 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H05 compound treatment 4.5557 0.451 0.43 5.441 1.21 1.08 1.068 0.9172 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H06 compound treatment 5.5648 1.46 1.38 5.2354 1.01 0.9 1.6137 0.9784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H07 compound treatment 4.9734 0.869 0.82 5.5162 1.29 1.15 1.395 0.9865 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H08 compound treatment 4.1141 0.00974 0.01 4.9611 0.734 0.65 0.4697 0.717 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H09 compound treatment 5.0601 0.956 0.9 4.1395 -0.0875 -0.08 0.5845 0.6437 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H10 compound treatment 7.1309 3.03 2.86 6.9848 2.76 2.46 3.7657 0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H11 compound treatment 4.6589 0.555 0.52 4.843 0.616 0.55 0.7598 0.9997 3176193 PK04_100149 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H12 compound treatment 7.0293 2.92 2.77 6.8174 2.59 2.31 3.5921 0.996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H13 compound treatment 4.6877 0.583 0.55 4.4052 0.178 0.16 0.5029 0.8752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H14 compound treatment 4.3292 0.225 0.21 3.8827 -0.344 -0.31 -0.0667 -0.1784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H15 compound treatment 4.2023 0.098 0.09 4.1588 -0.0682 -0.06 0.0225 0.2033 3052832 PK04_100153 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H16 compound treatment 6.18 2.08 1.96 4.7611 0.534 0.48 1.7263 0.8539 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H17 compound treatment 6.0745 1.97 1.86 5.6326 1.41 1.25 2.2055 0.9814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H18 compound treatment 4.6201 0.516 0.49 4.4699 0.243 0.22 0.4985 0.9332 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H19 mock treatment 3.8615 -0.243 -0.23 4.6727 0.446 0.4 0.1186 0.2582 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H20 mock treatment 4.3694 0.265 0.25 4.9423 0.715 0.64 0.6287 0.9167 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H21 compound treatment 4.2363 0.132 0.12 4.8126 0.586 0.52 0.4578 0.8521 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H22 compound treatment 4.7944 0.69 0.65 5.1901 0.963 0.86 1.0695 0.9908 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H23 compound treatment 4.7696 0.665 0.63 4.4902 0.263 0.23 0.6113 0.9096 3176558 PK04_100159 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 H24 compound treatment 4.4041 0.3 0.28 4.0768 -0.15 -0.13 0.1059 0.3374 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I01 compound treatment 7.4178 3.31 3.14 5.9471 1.72 1.53 3.303 0.9459 3052648 PK04_100161 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I02 compound treatment 5.5532 1.45 1.37 7.1663 2.94 2.62 2.8241 0.9543 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I03 compound treatment 3.9218 -0.183 -0.17 3.9841 -0.243 -0.22 -0.2754 -0.9937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I04 compound treatment 6.4631 2.36 2.23 6.1558 1.93 1.72 2.7956 0.9917 3176679 PK04_100164 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I05 mock treatment 4.5018 0.397 0.38 3.3784 -0.849 -0.76 -0.2693 -0.3186 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I06 mock treatment 4.3881 0.284 0.27 4.9752 0.748 0.67 0.662 0.9199 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I07 compound treatment 5.4339 1.33 1.26 4.5248 0.298 0.27 1.0778 0.8379 3052930 PK04_100165 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I08 compound treatment 6.182 2.08 1.97 6.8024 2.58 2.3 3.0155 0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I09 compound treatment 4.123 0.0186 0.02 5.5413 1.31 1.17 0.8416 0.7177 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I10 compound treatment 4.728 0.624 0.59 4.7023 0.475 0.42 0.7173 0.9868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I11 compound treatment 4.153 0.0487 0.05 4.9518 0.725 0.65 0.4898 0.7556 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I12 compound treatment 5.8778 1.77 1.68 5.8154 1.59 1.42 2.1891 0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I13 compound treatment 4.0351 -0.0693 -0.07 5.3035 1.08 0.96 0.6328 0.6573 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I14 compound treatment 6.3224 2.22 2.1 4.2486 0.0216 0.02 1.4983 0.7136 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I15 compound treatment 3.9775 -0.127 -0.12 5.6426 1.42 1.26 0.8082 0.637 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I16 compound treatment 3.728 -0.376 -0.36 4.0753 -0.152 -0.14 -0.3476 -0.9121 3052844 PK04_100174 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I17 compound treatment 6.1456 2.04 1.93 6.712 2.49 2.22 2.9341 0.9977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I18 compound treatment 3.464 -0.64 -0.61 4.3699 0.143 0.13 -0.3384 -0.5463 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I19 compound treatment 8.2362 4.13 3.91 7.6729 3.45 3.07 4.9396 0.9929 3052840 PK04_100177 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I20 compound treatment 4.6 0.496 0.47 5.2333 1.01 0.9 0.9666 0.9542 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I21 mock treatment 4.219 0.115 0.11 3.9038 -0.323 -0.29 -0.1271 -0.4126 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I22 mock treatment 4.0503 -0.054 -0.05 4.1617 -0.0653 -0.06 -0.0774 -0.9979 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I23 compound treatment 3.6341 -0.47 -0.45 4.2424 0.0154 0.01 -0.305 -0.6849 3176670 PK04_100179 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 I24 compound treatment 3.7657 -0.339 -0.32 5.3313 1.1 0.99 0.47 0.4537 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J01 compound treatment 4.186 0.0816 0.08 4.3476 0.121 0.11 0.1307 0.9868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J02 compound treatment 3.6033 -0.501 -0.47 4.9132 0.686 0.61 0.0976 0.126 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J03 compound treatment 4.9399 0.836 0.79 4.6403 0.413 0.37 0.8201 0.9397 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J04 compound treatment 4.062 -0.0423 -0.04 5.1223 0.895 0.8 0.5365 0.6708 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J05 mock treatment 4.2039 0.0995 0.09 4.6787 0.452 0.4 0.3516 0.8495 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J06 mock treatment 4.62 0.516 0.49 5.4404 1.21 1.08 1.1107 0.9352 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J07 compound treatment 5.2253 1.12 1.06 5.1125 0.886 0.79 1.309 0.9895 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J08 compound treatment 5.6406 1.54 1.45 7.4993 3.27 2.92 3.0927 0.9482 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J09 compound treatment 5.1605 1.06 1.0 5.1096 0.883 0.79 1.2637 0.993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J10 compound treatment 7.3358 3.23 3.06 6.6552 2.43 2.17 3.6949 0.9857 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J11 compound treatment 6.2037 2.1 1.99 5.4087 1.18 1.05 2.1508 0.956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J12 compound treatment 8.5027 4.4 4.16 6.8857 2.66 2.37 4.6214 0.9644 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J13 compound treatment 7.6852 3.58 3.39 6.5729 2.35 2.09 3.8768 0.9732 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J14 compound treatment 4.8771 0.773 0.73 4.9662 0.739 0.66 0.9836 0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J15 compound treatment 3.7913 -0.313 -0.3 4.7977 0.571 0.51 0.1505 0.2555 3176623 PK04_100193 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J16 compound treatment 3.9375 -0.167 -0.16 4.8926 0.666 0.59 0.3082 0.5016 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J17 compound treatment 4.4874 0.383 0.36 4.1809 -0.046 -0.04 0.2273 0.623 3052795 PK04_100195 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J18 compound treatment 4.3542 0.25 0.24 4.2385 0.0116 0.01 0.1745 0.7372 3052636 PK04_100196 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J19 compound treatment 4.9889 0.885 0.84 4.9803 0.753 0.67 1.0674 0.9941 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J20 compound treatment 3.8228 -0.282 -0.27 4.6835 0.456 0.41 0.0995 0.2045 3176629 PK04_100198 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J21 mock treatment 4.0798 -0.0245 -0.02 4.2786 0.0516 0.05 0.0161 0.3126 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J22 mock treatment 3.7385 -0.366 -0.35 5.0984 0.871 0.78 0.3049 0.3582 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J23 compound treatment 4.3861 0.282 0.27 3.8915 -0.335 -0.3 -0.0231 -0.0575 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 J24 compound treatment 4.4857 0.381 0.36 4.9045 0.678 0.6 0.6827 0.9696 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K01 compound treatment 6.5707 2.47 2.33 6.7673 2.54 2.27 3.2535 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K02 compound treatment 6.7751 2.67 2.53 8.0185 3.79 3.38 4.1797 0.9897 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K03 compound treatment 6.5757 2.47 2.34 6.7717 2.54 2.27 3.2596 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K04 compound treatment 5.6849 1.58 1.5 6.6156 2.39 2.13 2.5649 0.985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K05 compound treatment 4.6407 0.536 0.51 5.272 1.05 0.93 1.0183 0.9592 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K06 compound treatment 6.2883 2.18 2.07 7.6865 3.46 3.09 3.6444 0.981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K07 mock treatment 4.2269 0.122 0.12 4.3227 0.0957 0.09 0.1424 0.9887 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K08 mock treatment 4.3777 0.273 0.26 4.7488 0.522 0.47 0.5122 0.9616 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K09 compound treatment 5.0406 0.936 0.89 4.6937 0.467 0.42 0.9211 0.9407 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K10 compound treatment 6.1697 2.07 1.96 5.6557 1.43 1.27 2.2837 0.9785 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K11 compound treatment 5.2284 1.12 1.06 4.2693 0.0423 0.04 0.7791 0.7318 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K12 compound treatment 4.0569 -0.0474 -0.04 5.1182 0.891 0.8 0.5305 0.6661 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K13 compound treatment 4.5173 0.413 0.39 4.9092 0.682 0.61 0.7068 0.9771 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K14 compound treatment 4.614 0.51 0.48 4.8643 0.637 0.57 0.7432 0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K15 mock treatment 4.0282 -0.0762 -0.07 4.6589 0.432 0.39 0.2215 0.565 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K16 mock treatment 3.8678 -0.237 -0.22 4.934 0.707 0.63 0.2877 0.4298 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K17 compound treatment 4.685 0.581 0.55 4.5908 0.364 0.32 0.6182 0.9684 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K18 compound treatment 4.1512 0.0468 0.04 4.5804 0.353 0.32 0.2543 0.7986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K19 compound treatment 10.4832 6.38 6.04 9.2386 5.01 4.47 7.4314 0.9891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K20 compound treatment 4.8024 0.698 0.66 5.7742 1.55 1.38 1.4433 0.9431 3052596 PK04_100216 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K21 compound treatment 8.7235 4.62 4.37 8.3319 4.1 3.66 5.6815 0.9961 3176049 PK04_100217 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K22 compound treatment 4.6866 0.582 0.55 4.4906 0.264 0.24 0.5561 0.9279 3052637 PK04_100218 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K23 mock treatment 4.7602 0.656 0.62 4.101 -0.126 -0.11 0.3595 0.5698 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 K24 mock treatment 3.8346 -0.27 -0.26 3.6515 -0.575 -0.51 -0.5436 -0.948 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L01 compound treatment 4.8814 0.777 0.74 5.8082 1.58 1.41 1.5176 0.9539 3052595 PK04_100219 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L02 compound treatment 4.5347 0.43 0.41 4.4576 0.231 0.21 0.4335 0.95 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L03 compound treatment 5.0842 0.98 0.93 5.8874 1.66 1.48 1.7034 0.9746 3052585 PK04_100221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L04 compound treatment 3.8241 -0.28 -0.27 4.6791 0.452 0.4 0.0976 0.2022 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L05 compound treatment 4.4232 0.319 0.3 4.6993 0.472 0.42 0.5114 0.9866 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L06 compound treatment 4.7664 0.662 0.63 4.8174 0.59 0.53 0.8157 0.9963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L07 mock treatment 3.6811 -0.423 -0.4 4.7081 0.481 0.43 0.0202 0.0345 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L08 mock treatment 4.652 0.548 0.52 3.8099 -0.417 -0.37 0.1034 0.1621 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L09 compound treatment 4.4318 0.327 0.31 5.3094 1.08 0.97 0.9021 0.8894 3176559 PK04_100225 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L10 compound treatment 6.1301 2.03 1.92 6.7005 2.47 2.21 2.9164 0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L11 compound treatment 4.1566 0.0522 0.05 3.9257 -0.301 -0.27 -0.1551 -0.5675 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L12 compound treatment 4.2634 0.159 0.15 4.4882 0.261 0.23 0.2713 0.9777 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L13 compound treatment 4.0223 -0.082 -0.08 4.4569 0.23 0.21 0.0902 0.4111 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L14 compound treatment 5.1595 1.06 1.0 4.5415 0.315 0.28 0.9047 0.872 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L15 mock treatment 3.4653 -0.639 -0.6 4.6464 0.419 0.37 -0.1631 -0.2293 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L16 mock treatment 3.6202 -0.484 -0.46 4.7024 0.475 0.42 -0.0241 -0.0387 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L17 compound treatment 4.1017 -0.00264 0.0 4.8149 0.588 0.52 0.3692 0.7037 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L18 compound treatment 4.758 0.654 0.62 4.8396 0.613 0.55 0.824 0.9981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L19 compound treatment 5.5155 1.41 1.34 4.7976 0.571 0.51 1.3045 0.9126 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L20 compound treatment 3.9769 -0.127 -0.12 4.9136 0.687 0.61 0.3479 0.5572 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L21 compound treatment 4.5824 0.478 0.45 5.7358 1.51 1.35 1.2719 0.8955 3176053 PK04_100235 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L22 compound treatment 4.63 0.526 0.5 5.0065 0.78 0.7 0.8436 0.9865 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L23 mock treatment 4.3617 0.257 0.24 5.079 0.852 0.76 0.7098 0.8892 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 L24 mock treatment 3.4588 -0.646 -0.61 3.6291 -0.598 -0.53 -0.8093 -0.9977 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M01 compound treatment 5.9739 1.87 1.77 7.4989 3.27 2.92 3.3156 0.9712 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M02 compound treatment 6.0459 1.94 1.84 5.7178 1.49 1.33 2.2401 0.9874 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M03 compound treatment 4.9703 0.866 0.82 4.633 0.406 0.36 0.8358 0.9326 3176206 PK04_100239 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M04 compound treatment 4.3917 0.287 0.27 4.5606 0.334 0.3 0.4028 0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M05 compound treatment 7.3313 3.23 3.05 5.9568 1.73 1.54 3.2513 0.95 3052744 PK04_100241 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M06 compound treatment 5.9336 1.83 1.73 5.4127 1.19 1.06 1.9725 0.9721 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M07 compound treatment 3.6888 -0.416 -0.39 4.5612 0.334 0.3 -0.0673 -0.1363 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M08 compound treatment 3.7036 -0.401 -0.38 4.516 0.289 0.26 -0.0859 -0.1873 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M09 mock treatment 3.7039 -0.4 -0.38 3.4763 -0.751 -0.67 -0.7417 -0.9637 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M10 mock treatment 4.4891 0.385 0.36 4.3915 0.165 0.15 0.3613 0.9202 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M11 compound treatment 5.4693 1.36 1.29 6.6005 2.37 2.12 2.411 0.9719 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M12 compound treatment 4.3172 0.213 0.2 4.9602 0.733 0.65 0.605 0.8839 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M13 mock treatment 3.7986 -0.306 -0.29 3.7292 -0.498 -0.44 -0.5187 -0.9785 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M14 mock treatment 3.7217 -0.383 -0.36 3.7754 -0.452 -0.4 -0.541 -0.9986 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M15 compound treatment 5.1453 1.04 0.99 4.8884 0.661 0.59 1.114 0.97 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M16 compound treatment 4.2752 0.171 0.16 4.5663 0.339 0.3 0.3284 0.9569 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M17 compound treatment 6.8718 2.77 2.62 6.3168 2.09 1.86 3.1708 0.9861 3052643 PK04_100249 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M18 compound treatment 4.507 0.403 0.38 4.3344 0.107 0.1 0.3373 0.8582 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M19 compound treatment 12.3583 8.25 7.81 10.0191 5.79 5.17 9.1789 0.9799 3052583 PK04_100251 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M20 compound treatment 5.2575 1.15 1.09 6.2447 2.02 1.8 2.0448 0.9713 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M21 compound treatment 9.2282 5.12 4.85 8.5998 4.37 3.9 6.1883 0.9942 3052593 PK04_100253 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M22 compound treatment 2.953 -1.15 -1.09 4.3876 0.161 0.14 -0.6694 -0.6089 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M23 compound treatment 3.1087 -0.996 -0.94 5.1059 0.879 0.78 -0.1119 -0.0913 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 M24 compound treatment 4.0023 -0.102 -0.1 4.9586 0.732 0.65 0.3933 0.596 3176628 PK04_100256 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N01 compound treatment 3.3636 -0.741 -0.7 4.1429 -0.0841 -0.08 -0.5489 -0.7783 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N02 compound treatment 3.5666 -0.538 -0.51 4.3592 0.132 0.12 -0.2766 -0.5292 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N03 compound treatment 4.2544 0.15 0.14 5.8264 1.6 1.43 1.1094 0.7737 3052646 PK04_100259 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N04 compound treatment 3.7445 -0.36 -0.34 4.365 0.138 0.12 -0.1538 -0.4245 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N05 compound treatment 3.9768 -0.128 -0.12 4.1958 -0.0311 -0.03 -0.1051 -0.8476 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N06 compound treatment 4.9238 0.819 0.78 4.448 0.221 0.2 0.6879 0.8595 3176263 PK04_100262 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N07 compound treatment 3.8617 -0.243 -0.23 4.3817 0.155 0.14 -0.0648 -0.2418 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N08 compound treatment 6.306 2.2 2.08 5.2472 1.02 0.91 2.1173 0.931 3052644 PK04_100264 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N09 mock treatment 3.7589 -0.345 -0.33 3.7483 -0.479 -0.43 -0.5332 -0.9913 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N10 mock treatment 3.8735 -0.231 -0.22 3.61 -0.617 -0.55 -0.5438 -0.9181 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N11 compound treatment 2.6598 -1.44 -1.37 4.2912 0.0642 0.06 -0.9264 -0.6769 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N12 compound treatment 3.0919 -1.01 -0.96 4.2004 -0.0265 -0.02 -0.6944 -0.7243 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N13 mock treatment 4.5775 0.473 0.45 3.1266 -1.1 -0.98 -0.3775 -0.3498 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N14 mock treatment 3.7416 -0.363 -0.34 3.8275 -0.399 -0.36 -0.4949 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N15 compound treatment 3.6027 -0.502 -0.47 3.1866 -1.04 -0.93 -0.9922 -0.9516 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N16 compound treatment 4.316 0.212 0.2 4.719 0.492 0.44 0.4521 0.9368 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N17 compound treatment 4.3309 0.227 0.21 4.1722 -0.0548 -0.05 0.1171 0.5322 3052843 PK04_100269 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N18 compound treatment 4.0195 -0.0849 -0.08 4.4074 0.18 0.16 0.057 0.3168 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N19 compound treatment 4.2864 0.182 0.17 5.1837 0.957 0.85 0.7255 0.833 3176319 PK04_100271 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N20 compound treatment 5.3279 1.22 1.16 4.8259 0.599 0.53 1.1968 0.9383 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N21 compound treatment 4.0334 -0.071 -0.07 4.6949 0.468 0.42 0.2477 0.5857 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N22 compound treatment 4.554 0.45 0.43 6.1401 1.91 1.71 1.5079 0.8572 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N23 compound treatment 4.7768 0.672 0.64 5.1496 0.923 0.82 1.0322 0.9919 3176207 PK04_100275 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 N24 compound treatment 3.0196 -1.08 -1.03 4.5379 0.311 0.28 -0.53 -0.4982 3176266 PK04_100276 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O01 compound treatment 3.5178 -0.587 -0.56 4.2885 0.0615 0.05 -0.3538 -0.6341 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O02 compound treatment 6.6762 2.57 2.43 5.9318 1.7 1.52 2.797 0.9744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O03 compound treatment 3.2739 -0.831 -0.79 3.8148 -0.412 -0.37 -0.8159 -0.9401 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O04 compound treatment 4.7957 0.691 0.65 5.8706 1.64 1.47 1.4997 0.9339 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O05 compound treatment 3.0974 -1.01 -0.95 4.1909 -0.036 -0.03 -0.6967 -0.7305 3176384 PK04_100281 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O06 compound treatment 7.6105 3.51 3.32 6.819 2.59 2.31 3.9821 0.9844 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O07 compound treatment 3.2185 -0.886 -0.84 3.933 -0.294 -0.26 -0.7785 -0.886 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O08 compound treatment 6.127 2.02 1.91 5.6667 1.44 1.28 2.2621 0.9811 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O09 compound treatment 3.8833 -0.221 -0.21 3.7048 -0.522 -0.47 -0.4774 -0.9348 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O10 compound treatment 4.2055 0.101 0.1 4.2203 -0.00663 -0.01 0.0635 0.6622 3176681 PK04_100286 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O11 mock treatment 3.3485 -0.756 -0.72 3.4849 -0.742 -0.66 -0.9741 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O12 mock treatment 3.3267 -0.778 -0.74 3.7505 -0.476 -0.43 -0.8212 -0.966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O13 compound treatment 2.7939 -1.31 -1.24 3.4715 -0.755 -0.67 -1.3538 -0.9589 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O14 compound treatment 3.2596 -0.845 -0.8 3.8774 -0.35 -0.31 -0.786 -0.9157 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O15 compound treatment 3.7941 -0.31 -0.29 4.27 0.0431 0.04 -0.1805 -0.6094 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O16 compound treatment 3.107 -0.997 -0.94 3.7896 -0.437 -0.39 -0.9435 -0.9236 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O17 compound treatment 3.6542 -0.45 -0.43 3.5988 -0.628 -0.56 -0.6976 -0.9909 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O18 compound treatment 4.6918 0.587 0.56 5.7575 1.53 1.37 1.3588 0.9216 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O19 compound treatment 6.7183 2.61 2.47 7.8902 3.66 3.27 4.0607 0.9906 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O20 compound treatment 3.5988 -0.506 -0.48 4.5279 0.301 0.27 -0.1485 -0.2706 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O21 compound treatment 6.518 2.41 2.28 7.7003 3.47 3.1 3.8069 0.9888 3176637 PK04_100295 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O22 compound treatment 3.4781 -0.626 -0.59 3.8192 -0.408 -0.36 -0.6765 -0.9725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O23 compound treatment 3.5452 -0.559 -0.53 3.3454 -0.882 -0.79 -0.9304 -0.9814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 O24 compound treatment 3.1763 -0.928 -0.88 3.4092 -0.818 -0.73 -1.1371 -0.9957 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P01 compound treatment 3.2574 -0.847 -0.8 3.8683 -0.359 -0.32 -0.7931 -0.9188 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P02 compound treatment 3.1554 -0.949 -0.9 3.96 -0.267 -0.24 -0.8036 -0.8647 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P03 compound treatment 4.0938 -0.0106 -0.01 4.7148 0.488 0.44 0.3006 0.6906 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P04 compound treatment 5.3377 1.23 1.17 4.5896 0.363 0.32 1.0543 0.8703 3052597 PK04_100302 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P05 compound treatment 3.1638 -0.941 -0.89 4.1156 -0.111 -0.1 -0.6998 -0.7812 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P06 compound treatment 2.9835 -1.12 -1.06 3.5978 -0.629 -0.56 -1.1471 -0.9557 3176677 PK04_100304 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P07 compound treatment 3.0512 -1.05 -1.0 4.0127 -0.214 -0.19 -0.8401 -0.8276 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P08 compound treatment 7.4611 3.36 3.18 6.9782 2.75 2.45 3.9825 0.9919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P09 compound treatment 3.5949 -0.509 -0.48 3.8184 -0.409 -0.36 -0.5988 -0.9905 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P10 compound treatment 5.688 1.58 1.5 4.9766 0.75 0.67 1.5329 0.9339 3052830 PK04_100308 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P11 mock treatment 3.7546 -0.35 -0.33 3.6376 -0.589 -0.53 -0.606 -0.9752 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P12 mock treatment 3.1798 -0.925 -0.88 2.8343 -1.39 -1.24 -1.4975 -0.9853 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P13 compound treatment 3.7102 -0.394 -0.37 4.1949 -0.032 -0.03 -0.284 -0.759 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P14 compound treatment 3.054 -1.05 -0.99 3.1785 -1.05 -0.94 -1.3645 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P15 compound treatment 4.9329 0.829 0.78 4.4865 0.26 0.23 0.7183 0.8784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P16 compound treatment 3.1914 -0.913 -0.86 3.4047 -0.822 -0.73 -1.1299 -0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P17 compound treatment 3.122 -0.982 -0.93 2.4841 -1.74 -1.55 -1.7571 -0.9698 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P18 compound treatment 2.8941 -1.21 -1.15 3.855 -0.372 -0.33 -1.0447 -0.8759 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P19 compound treatment 2.9239 -1.18 -1.12 3.4604 -0.767 -0.68 -1.2738 -0.9722 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P20 compound treatment 3.5441 -0.56 -0.53 3.8519 -0.375 -0.33 -0.6117 -0.9753 3176264 PK04_100316 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P21 compound treatment 3.3213 -0.783 -0.74 3.4449 -0.782 -0.7 -1.0176 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P22 compound treatment 7.2083 3.1 2.94 6.2401 2.01 1.8 3.3476 0.9721 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P23 compound treatment 3.4755 -0.629 -0.6 3.0729 -1.15 -1.03 -1.149 -0.9661 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2100 P24 compound treatment 6.6991 2.59 2.46 6.6327 2.41 2.15 3.2545 0.9977 3176127 PK04_100320 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A01 compound treatment 3.8024 -0.352 -0.33 4.3731 -0.236 -0.21 -0.3849 -0.9755 3189007 PK04_101001 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A02 compound treatment 4.3641 0.209 0.2 4.1684 -0.441 -0.39 -0.1381 -0.3135 3069619 PK04_101002 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A03 compound treatment 4.1266 -0.0281 -0.03 3.8755 -0.734 -0.65 -0.4818 -0.7353 3189008 PK04_101003 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A04 compound treatment 3.8364 -0.318 -0.3 4.3208 -0.289 -0.26 -0.3952 -0.9969 3189009 PK04_101004 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A05 compound treatment 4.2133 0.0585 0.06 4.6639 0.0545 0.05 0.0735 0.9979 3069620 PK04_101005 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A06 compound treatment 3.8946 -0.26 -0.25 4.1217 -0.488 -0.44 -0.4818 -0.9637 3189010 PK04_101006 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A07 compound treatment 4.8822 0.727 0.69 4.8994 0.29 0.26 0.6699 0.9107 3189011 PK04_101007 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A08 compound treatment 3.719 -0.436 -0.41 5.1346 0.525 0.47 0.0397 0.0635 3069621 PK04_101008 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A09 compound treatment 4.4599 0.305 0.29 4.3677 -0.242 -0.22 0.0518 0.1436 3189120 PK04_101009 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A10 compound treatment 3.9033 -0.251 -0.24 5.2111 0.602 0.54 0.2113 0.3599 3069622 PK04_101010 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A11 compound treatment 4.601 0.446 0.42 5.1169 0.508 0.45 0.6188 0.9994 3189121 PK04_101011 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A12 compound treatment 5.0012 0.846 0.8 4.487 -0.122 -0.11 0.4893 0.6051 3069678 PK04_101012 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A13 mock treatment 5.1652 1.01 0.96 4.865 0.256 0.23 0.8376 0.8519 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A14 mock treatment 4.2293 0.0745 0.07 4.845 0.236 0.21 0.1986 0.8953 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A15 compound treatment 5.0882 0.933 0.88 6.4462 1.84 1.64 1.7836 0.958 3189122 PK04_101013 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A16 compound treatment 3.8386 -0.316 -0.3 5.1384 0.529 0.47 0.1221 0.2184 3069679 PK04_101014 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A17 compound treatment 4.487 0.332 0.31 4.874 0.265 0.24 0.3893 0.99 3189123 PK04_101015 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A18 compound treatment 3.9664 -0.188 -0.18 4.7103 0.101 0.09 -0.0625 -0.3127 3189124 PK04_101016 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A19 compound treatment 4.2508 0.096 0.09 4.3504 -0.259 -0.23 -0.0992 -0.3994 3069680 PK04_101017 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A20 compound treatment 6.3469 2.19 2.08 3.7469 -0.863 -0.77 0.9231 0.4171 3189125 PK04_101018 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A21 compound treatment 4.334 0.179 0.17 4.8555 0.246 0.22 0.2752 0.9919 3069681 PK04_101019 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A22 compound treatment 3.8782 -0.277 -0.26 4.417 -0.192 -0.17 -0.3065 -0.979 3189126 PK04_101020 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A23 compound treatment 4.1598 0.00502 0.0 5.3061 0.697 0.62 0.4429 0.7125 3189127 PK04_101021 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 A24 compound treatment 4.216 0.0612 0.06 4.7583 0.149 0.13 0.1349 0.9307 3069682 PK04_101022 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B01 compound treatment 4.0989 -0.0559 -0.05 4.122 -0.487 -0.43 -0.3449 -0.7873 3189128 PK04_101023 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B02 compound treatment 3.3669 -0.788 -0.75 3.8806 -0.729 -0.65 -0.9872 -0.9977 3189129 PK04_101024 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B03 compound treatment 4.3953 0.24 0.23 4.9181 0.309 0.28 0.3557 0.9955 3069683 PK04_101025 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B04 compound treatment 4.7852 0.63 0.6 5.1389 0.529 0.47 0.756 0.9933 3189130 PK04_101026 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B05 compound treatment 4.424 0.269 0.25 4.2195 -0.39 -0.35 -0.0657 -0.1524 3069684 PK04_101027 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B06 compound treatment 5.9751 1.82 1.72 5.0171 0.408 0.36 1.4756 0.8379 3189131 PK04_101028 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B07 compound treatment 5.0 0.845 0.8 5.1568 0.547 0.49 0.9111 0.972 3189132 PK04_101029 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B08 compound treatment 4.7673 0.613 0.58 5.7967 1.19 1.06 1.1591 0.9598 3069685 PK04_101030 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B09 compound treatment 4.6562 0.501 0.47 5.3585 0.749 0.67 0.8083 0.9859 3189133 PK04_101031 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B10 compound treatment 3.8119 -0.343 -0.32 5.2636 0.654 0.58 0.1832 0.2743 3189129 PK04_101032 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B11 compound treatment 5.5854 1.43 1.35 4.2826 -0.327 -0.29 0.7514 0.5424 3189134 PK04_101033 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B12 compound treatment 5.1834 1.03 0.97 4.9246 0.315 0.28 0.8873 0.8755 3069686 PK04_101034 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B13 mock treatment 4.8084 0.654 0.62 5.0455 0.436 0.39 0.7126 0.975 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B14 mock treatment 3.9684 -0.186 -0.18 5.5962 0.987 0.88 0.4978 0.5544 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B15 compound treatment 4.8437 0.689 0.65 5.2546 0.645 0.58 0.8682 0.9981 3189135 PK04_101035 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B16 compound treatment 4.5206 0.366 0.35 5.3292 0.72 0.64 0.699 0.958 3069686 PK04_101036 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B17 compound treatment 4.3965 0.242 0.23 5.3021 0.693 0.62 0.5988 0.9086 3189136 PK04_101037 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B18 compound treatment 9.2062 5.05 4.78 6.8958 2.29 2.04 4.8236 0.9279 3069687 PK04_101038 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B19 compound treatment 4.1617 0.00691 0.01 5.8404 1.23 1.1 0.7813 0.7113 3189137 PK04_101039 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B20 compound treatment 5.3296 1.17 1.11 7.1643 2.55 2.28 2.3983 0.9456 3069688 PK04_101040 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B21 compound treatment 4.198 0.0432 0.04 4.6819 0.0725 0.06 0.0746 0.9755 3189138 PK04_101041 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B22 compound treatment 4.8893 0.735 0.7 6.4928 1.88 1.68 1.6799 0.9237 3189139 PK04_101042 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B23 compound treatment 3.3079 -0.847 -0.8 6.4095 1.8 1.61 0.5688 0.3169 3069689 PK04_101043 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 B24 compound treatment 3.9174 -0.237 -0.22 5.4953 0.886 0.79 0.4 0.4868 3189140 PK04_101044 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C01 compound treatment 3.6135 -0.541 -0.51 3.7461 -0.863 -0.77 -0.907 -0.9804 3189247 PK04_101045 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C02 compound treatment 4.2434 0.0886 0.08 4.0626 -0.547 -0.49 -0.2856 -0.5771 3069724 PK04_101046 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C03 compound treatment 5.063 0.908 0.86 4.2656 -0.344 -0.31 0.3911 0.4284 3189248 PK04_101047 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C04 compound treatment 5.5898 1.44 1.36 4.1717 -0.438 -0.39 0.6844 0.4842 3189249 PK04_101048 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C05 compound treatment 3.9441 -0.211 -0.2 3.9386 -0.671 -0.6 -0.5642 -0.8944 3069725 PK04_101049 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C06 compound treatment 4.3493 0.195 0.18 4.1131 -0.496 -0.44 -0.1829 -0.3814 3189250 PK04_101050 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C07 compound treatment 3.9813 -0.173 -0.16 4.2649 -0.344 -0.31 -0.3334 -0.9569 3069726 PK04_101051 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C08 compound treatment 4.3624 0.208 0.2 4.7382 0.129 0.11 0.2202 0.9674 3189251 PK04_101052 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C09 compound treatment 5.3793 1.22 1.16 4.8189 0.209 0.19 0.9518 0.8107 3189252 PK04_101053 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C10 compound treatment 4.0363 -0.118 -0.11 4.63 0.0206 0.02 -0.0663 -0.5833 3069727 PK04_101054 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C11 mock treatment 4.0401 -0.115 -0.11 4.0414 -0.568 -0.51 -0.4351 -0.8396 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C12 mock treatment 3.7717 -0.383 -0.36 4.7556 0.146 0.13 -0.1641 -0.4259 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C13 compound treatment 5.1049 0.95 0.9 4.2376 -0.372 -0.33 0.4014 0.4187 3189253 PK04_101055 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C14 compound treatment 4.3344 0.18 0.17 4.6558 0.0464 0.04 0.1495 0.8544 3069728 PK04_101056 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C15 mock treatment 3.648 -0.507 -0.48 4.1773 -0.432 -0.39 -0.6118 -0.9941 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C16 mock treatment 3.828 -0.327 -0.31 4.3948 -0.215 -0.19 -0.3541 -0.9734 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C17 compound treatment 3.6731 -0.482 -0.46 4.901 0.292 0.26 -0.1385 -0.2638 3189254 PK04_101057 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C18 compound treatment 4.0743 -0.0805 -0.08 4.5789 -0.0305 -0.03 -0.0731 -0.9037 3189255 PK04_101058 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C19 compound treatment 3.5905 -0.564 -0.53 4.2046 -0.405 -0.36 -0.633 -0.9818 3069729 PK04_101059 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C20 compound treatment 3.9948 -0.16 -0.15 4.2582 -0.351 -0.31 -0.3287 -0.9444 3189256 PK04_101060 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C21 compound treatment 3.9794 -0.175 -0.17 4.3059 -0.303 -0.27 -0.3088 -0.9724 3189257 PK04_101061 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C22 compound treatment 4.1812 0.0264 0.02 4.7068 0.0975 0.09 0.0791 0.8747 3069730 PK04_101062 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C23 compound treatment 3.5298 -0.625 -0.59 4.1641 -0.445 -0.4 -0.6993 -0.9812 3189258 PK04_101063 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 C24 compound treatment 3.4274 -0.727 -0.69 4.1983 -0.411 -0.37 -0.7462 -0.9565 3069731 PK04_101064 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D01 compound treatment 4.3599 0.205 0.19 4.0698 -0.54 -0.48 -0.2031 -0.3913 3189259 PK04_101065 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D02 compound treatment 4.0501 -0.105 -0.1 3.7071 -0.902 -0.81 -0.6394 -0.7882 3069687 PK04_101066 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D03 compound treatment 4.3374 0.183 0.17 4.2682 -0.341 -0.3 -0.093 -0.2656 3189260 PK04_101067 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D04 compound treatment 5.2937 1.14 1.08 5.3687 0.759 0.68 1.2413 0.9749 3069688 PK04_101068 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D05 compound treatment 4.396 0.241 0.23 4.4331 -0.176 -0.16 0.0503 0.1813 3069732 PK04_101069 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D06 compound treatment 3.9531 -0.202 -0.19 4.4 -0.209 -0.19 -0.2671 -0.9999 3189139 PK04_101070 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D07 compound treatment 3.915 -0.24 -0.23 4.354 -0.255 -0.23 -0.3216 -1.0 3189261 PK04_101071 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D08 compound treatment 5.1765 1.02 0.97 5.5926 0.983 0.88 1.3041 0.9988 3069733 PK04_101072 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D09 compound treatment 4.9663 0.812 0.77 4.6541 0.0448 0.04 0.5714 0.7429 3189262 PK04_101073 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D10 compound treatment 6.2002 2.05 1.94 4.8309 0.221 0.2 1.5088 0.7752 3069733 PK04_101074 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D11 mock treatment 4.4577 0.303 0.29 3.9817 -0.628 -0.56 -0.1932 -0.3071 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D12 mock treatment 4.3924 0.238 0.22 3.8248 -0.785 -0.7 -0.3359 -0.4569 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D13 compound treatment 3.7473 -0.408 -0.39 4.4237 -0.186 -0.17 -0.3899 -0.9288 3189263 PK04_101075 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D14 compound treatment 3.7557 -0.399 -0.38 4.4262 -0.183 -0.16 -0.3827 -0.9297 3069734 PK04_101076 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D15 mock treatment 3.5146 -0.64 -0.61 4.4006 -0.209 -0.19 -0.5602 -0.8836 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D16 mock treatment 3.6266 -0.528 -0.5 4.4235 -0.186 -0.17 -0.4708 -0.8938 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D17 compound treatment 5.7809 1.63 1.54 4.7246 0.115 0.1 1.1611 0.7527 3189264 PK04_101077 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D18 compound treatment 4.6813 0.526 0.5 5.5887 0.979 0.87 0.9702 0.9646 3069734 PK04_101078 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D19 compound treatment 5.1537 0.999 0.95 3.9331 -0.676 -0.6 0.242 0.2157 3069735 PK04_101079 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D20 compound treatment 3.92 -0.235 -0.22 4.2115 -0.398 -0.36 -0.4082 -0.9746 3189265 PK04_101080 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D21 compound treatment 3.9845 -0.17 -0.16 4.2425 -0.367 -0.33 -0.3455 -0.9467 3189266 PK04_101081 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D22 compound treatment 3.5071 -0.648 -0.61 4.1631 -0.446 -0.4 -0.7151 -0.9782 3189265 PK04_101082 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D23 compound treatment 4.815 0.66 0.62 4.4736 -0.136 -0.12 0.3563 0.5597 3069736 PK04_101083 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 D24 compound treatment 3.16 -0.995 -0.94 4.2226 -0.387 -0.35 -0.9098 -0.9072 3189267 PK04_101084 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E01 mock treatment 4.1998 0.045 0.04 3.5677 -1.04 -0.93 -0.6271 -0.674 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E02 mock treatment 4.1844 0.0296 0.03 4.002 -0.607 -0.54 -0.3634 -0.6696 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E03 compound treatment 3.427 -0.728 -0.69 4.2347 -0.375 -0.33 -0.7235 -0.9449 3189373 PK04_101085 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E04 compound treatment 4.6413 0.486 0.46 4.2367 -0.373 -0.33 0.0905 0.1593 3189374 PK04_101086 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E05 compound treatment 4.5724 0.418 0.4 4.1548 -0.455 -0.41 -0.0073 -0.0128 3069761 PK04_101087 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E06 compound treatment 4.4057 0.251 0.24 4.0406 -0.569 -0.51 -0.1909 -0.3407 3189375 PK04_101088 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E07 compound treatment 4.2423 0.0875 0.08 4.2093 -0.4 -0.36 -0.1939 -0.529 3189376 PK04_101089 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E08 compound treatment 4.3369 0.182 0.17 3.6722 -0.937 -0.84 -0.4693 -0.5497 3069762 PK04_101090 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E09 mock treatment 4.5906 0.436 0.41 4.1964 -0.413 -0.37 0.0311 0.0563 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E10 mock treatment 4.6136 0.459 0.43 3.8466 -0.763 -0.68 -0.1741 -0.2157 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E11 compound treatment 4.9019 0.747 0.71 4.3761 -0.233 -0.21 0.3529 0.4787 3189377 PK04_101091 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E12 compound treatment 5.8824 1.73 1.64 3.9076 -0.702 -0.63 0.7136 0.4075 3069763 PK04_101092 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E13 compound treatment 4.0467 -0.108 -0.1 4.3734 -0.236 -0.21 -0.2212 -0.945 3189378 PK04_101093 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E14 compound treatment 4.4715 0.317 0.3 4.4636 -0.146 -0.13 0.12 0.3672 3189379 PK04_101094 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E15 compound treatment 4.2183 0.0635 0.06 4.4854 -0.124 -0.11 -0.0357 -0.2835 3069764 PK04_101095 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E16 compound treatment 4.6732 0.518 0.49 4.9219 0.313 0.28 0.5442 0.9641 3189380 PK04_101096 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E17 mock treatment 5.9 1.75 1.65 3.7828 -0.827 -0.74 0.6467 0.3575 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E18 mock treatment 4.7597 0.605 0.57 4.4742 -0.135 -0.12 0.3196 0.5462 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E19 compound treatment 3.8988 -0.256 -0.24 5.0791 0.47 0.42 0.125 0.2581 3069765 PK04_101097 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E20 compound treatment 4.7477 0.593 0.56 5.1551 0.546 0.49 0.7412 0.9975 3189381 PK04_101098 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E21 compound treatment 3.979 -0.176 -0.17 4.0679 -0.541 -0.48 -0.4593 -0.8989 3189382 PK04_101099 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E22 compound treatment 4.4778 0.323 0.31 5.1966 0.587 0.52 0.5867 0.9671 3069730 PK04_101100 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E23 compound treatment 3.8621 -0.293 -0.28 5.2871 0.678 0.6 0.2317 0.3483 3069766 PK04_101101 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 E24 compound treatment 4.0827 -0.0721 -0.07 4.6995 0.0901 0.08 0.0086 0.0817 3069731 PK04_101102 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F01 mock treatment 3.7093 -0.446 -0.42 3.9832 -0.626 -0.56 -0.6932 -0.9904 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F02 mock treatment 3.7171 -0.438 -0.41 4.5277 -0.0817 -0.07 -0.3445 -0.8189 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F03 compound treatment 4.0428 -0.112 -0.11 4.2924 -0.317 -0.28 -0.2749 -0.9103 3189383 PK04_101103 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F04 compound treatment 4.0804 -0.0744 -0.07 4.301 -0.308 -0.28 -0.2444 -0.8604 3189267 PK04_101104 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F05 compound treatment 4.1916 0.0368 0.03 4.0739 -0.535 -0.48 -0.3132 -0.6539 3189384 PK04_101105 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F06 compound treatment 4.4974 0.343 0.32 5.4341 0.825 0.74 0.7496 0.9322 3069767 PK04_101106 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F07 compound treatment 3.7647 -0.39 -0.37 4.5781 -0.0313 -0.03 -0.2809 -0.7585 3189385 PK04_101107 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F08 compound treatment 4.5102 0.355 0.34 4.3635 -0.246 -0.22 0.0827 0.206 3069767 PK04_101108 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F09 mock treatment 4.0465 -0.108 -0.1 4.2144 -0.395 -0.35 -0.3217 -0.8764 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F10 mock treatment 3.8637 -0.291 -0.28 4.0541 -0.555 -0.5 -0.5452 -0.9616 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F11 compound treatment 4.6107 0.456 0.43 4.3624 -0.247 -0.22 0.1493 0.3081 3069768 PK04_101109 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F12 compound treatment 4.2534 0.0986 0.09 4.5495 -0.0599 -0.05 0.0282 0.2624 3189386 PK04_101110 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F13 compound treatment 7.3356 3.18 3.01 5.3818 0.772 0.69 2.6163 0.8471 3189387 PK04_101111 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F14 compound treatment 4.7954 0.641 0.61 4.4156 -0.194 -0.17 0.3065 0.4861 3189386 PK04_101112 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F15 compound treatment 4.2173 0.0625 0.06 4.4073 -0.202 -0.18 -0.0856 -0.4512 3069769 PK04_101113 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F16 compound treatment 4.3444 0.19 0.18 4.7214 0.112 0.1 0.1976 0.9618 3189388 PK04_101114 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F17 mock treatment 4.1492 -0.00556 -0.01 5.7122 1.1 0.98 0.6921 0.7033 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F18 mock treatment 4.2701 0.115 0.11 4.9241 0.315 0.28 0.2757 0.9153 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F19 compound treatment 4.8937 0.739 0.7 5.3427 0.733 0.65 0.9572 0.9994 3189389 PK04_101115 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F20 compound treatment 4.1334 -0.0214 -0.02 4.6245 0.0151 0.01 -0.0048 -0.1957 3189388 PK04_101116 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F21 compound treatment 4.3778 0.223 0.21 4.8611 0.252 0.22 0.3081 0.9995 3069770 PK04_101117 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F22 compound treatment 4.0561 -0.0987 -0.09 4.694 0.0846 0.08 -0.0127 -0.1058 3189390 PK04_101118 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F23 compound treatment 4.5164 0.362 0.34 5.8154 1.21 1.08 1.0029 0.8882 3189391 PK04_101119 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 F24 compound treatment 5.2579 1.1 1.04 6.029 1.42 1.27 1.634 0.9954 3189390 PK04_101120 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G01 compound treatment 4.0756 -0.0792 -0.07 4.247 -0.362 -0.32 -0.2816 -0.8486 3189392 PK04_101121 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G02 compound treatment 4.6075 0.453 0.43 4.4655 -0.144 -0.13 0.2122 0.4744 3189374 PK04_101122 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G03 mock treatment 5.4516 1.3 1.23 4.6249 0.0155 0.01 0.8778 0.715 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G04 mock treatment 4.7102 0.555 0.53 4.8397 0.23 0.21 0.5171 0.916 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G05 compound treatment 4.5276 0.373 0.35 4.3814 -0.228 -0.2 0.1057 0.2595 3069794 PK04_101123 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G06 compound treatment 4.8812 0.726 0.69 4.6621 0.0527 0.05 0.5195 0.7537 3189375 PK04_101124 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G07 compound treatment 4.443 0.288 0.27 4.2719 -0.337 -0.3 -0.02 -0.0492 3189393 PK04_101125 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G08 compound treatment 4.8949 0.74 0.7 4.6 -0.00938 -0.01 0.4894 0.6986 3069762 PK04_101126 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G09 compound treatment 4.3571 0.202 0.19 4.784 0.175 0.16 0.2456 0.9947 3069795 PK04_101127 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G10 compound treatment 4.6853 0.53 0.5 4.6094 -2.22E-5 0.0 0.3551 0.7071 3069763 PK04_101128 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G11 compound treatment 5.6958 1.54 1.46 5.61 1.0 0.89 1.6627 0.9722 3189504 PK04_101129 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G12 compound treatment 4.8273 0.672 0.64 4.6832 0.0739 0.07 0.4967 0.7762 3189379 PK04_101130 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G13 compound treatment 5.4113 1.26 1.19 6.0614 1.45 1.3 1.7571 0.9991 3069796 PK04_101131 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G14 compound treatment 5.6999 1.55 1.46 5.8418 1.23 1.1 1.8117 0.9901 3189380 PK04_101132 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G15 compound treatment 5.439 1.28 1.22 4.8864 0.277 0.25 1.0343 0.8338 3189505 PK04_101133 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G16 compound treatment 4.726 0.571 0.54 5.7102 1.1 0.98 1.0768 0.9605 3189381 PK04_101134 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G17 compound treatment 4.7243 0.569 0.54 4.9902 0.381 0.34 0.6214 0.9752 3189506 PK04_101135 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G18 compound treatment 4.4371 0.282 0.27 5.4586 0.849 0.76 0.7247 0.9021 3069797 PK04_101136 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G19 mock treatment 4.5196 0.365 0.35 4.8216 0.212 0.19 0.3781 0.96 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G20 mock treatment 4.9429 0.788 0.75 6.7288 2.12 1.89 1.8646 0.9173 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G21 compound treatment 4.3115 0.157 0.15 5.2823 0.673 0.6 0.5294 0.856 3189507 PK04_101137 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G22 compound treatment 5.1595 1.0 0.95 4.4889 -0.12 -0.11 0.5965 0.6232 3189508 PK04_101138 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G23 compound treatment 3.2972 -0.858 -0.81 6.1581 1.55 1.38 0.4031 0.2515 3069798 PK04_101139 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 G24 compound treatment 4.4158 0.261 0.25 4.9129 0.304 0.27 0.3662 0.999 3189509 PK04_101140 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H01 compound treatment 4.5441 0.389 0.37 3.9427 -0.667 -0.59 -0.1601 -0.2287 3069799 PK04_101141 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H02 compound treatment 4.7049 0.55 0.52 4.5202 -0.0891 -0.08 0.312 0.5922 3189510 PK04_101142 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H03 mock treatment 4.5012 0.346 0.33 4.6539 0.0445 0.04 0.2599 0.7871 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H04 mock treatment 4.5183 0.363 0.34 4.8489 0.24 0.21 0.3944 0.9738 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H05 compound treatment 3.8349 -0.32 -0.3 4.7495 0.14 0.12 -0.1258 -0.3839 3189511 PK04_101143 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H06 compound treatment 5.2673 1.11 1.05 5.6405 1.03 0.92 1.3952 0.9977 3069800 PK04_101144 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H07 compound treatment 4.975 0.82 0.78 5.0536 0.444 0.4 0.8292 0.9513 3189512 PK04_101145 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H08 compound treatment 4.8483 0.694 0.66 5.3995 0.79 0.7 0.9627 0.9994 3069800 PK04_101146 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H09 compound treatment 4.6485 0.494 0.47 4.8811 0.272 0.24 0.5019 0.9533 3189513 PK04_101147 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H10 compound treatment 4.5676 0.413 0.39 5.0452 0.436 0.39 0.5512 1.0 3189510 PK04_101148 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H11 compound treatment 4.8003 0.645 0.61 4.8155 0.206 0.18 0.5621 0.8809 3069801 PK04_101149 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H12 compound treatment 5.7279 1.57 1.49 4.5619 -0.0474 -0.04 1.023 0.6867 3189514 PK04_101150 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H13 compound treatment 4.8154 0.661 0.63 5.8031 1.19 1.07 1.1953 0.9678 3189515 PK04_101151 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H14 compound treatment 4.7065 0.552 0.52 4.8496 0.24 0.21 0.5208 0.9227 3189514 PK04_101152 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H15 compound treatment 4.2763 0.121 0.12 6.7524 2.14 1.91 1.4333 0.7483 3069802 PK04_101153 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H16 compound treatment 4.5058 0.351 0.33 4.5133 -0.0961 -0.09 0.1743 0.5079 3189516 PK04_101154 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H17 compound treatment 6.8472 2.69 2.55 5.4077 0.798 0.71 2.3058 0.8713 3189517 PK04_101155 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H18 compound treatment 6.9154 2.76 2.61 6.4495 1.84 1.64 3.0087 0.9749 3189516 PK04_101156 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H19 mock treatment 4.143 -0.0118 -0.01 4.736 0.127 0.11 0.072 0.6341 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H20 mock treatment 4.8123 0.658 0.62 4.9989 0.39 0.35 0.6858 0.9621 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H21 compound treatment 7.6667 3.51 3.32 5.5182 0.909 0.81 2.924 0.8545 3069803 PK04_101157 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H22 compound treatment 5.0981 0.943 0.89 4.859 0.25 0.22 0.7889 0.8572 3189518 PK04_101158 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H23 compound treatment 4.3851 0.23 0.22 5.2539 0.645 0.58 0.5608 0.9119 3069804 PK04_101159 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 H24 compound treatment 4.0236 -0.131 -0.12 5.7122 1.1 0.98 0.6079 0.613 3189518 PK04_101160 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I01 compound treatment 4.8197 0.665 0.63 3.8739 -0.736 -0.66 -0.019 -0.0209 3189519 PK04_101161 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I02 compound treatment 4.181 0.0262 0.02 4.2716 -0.338 -0.3 -0.1956 -0.6468 3189520 PK04_101162 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I03 compound treatment 4.2835 0.129 0.12 4.7704 0.161 0.14 0.1878 0.9966 3069839 PK04_101163 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I04 compound treatment 4.4587 0.304 0.29 4.3158 -0.294 -0.26 0.0182 0.0468 3189521 PK04_101164 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I05 mock treatment 4.4891 0.334 0.32 4.7506 0.141 0.13 0.3128 0.9185 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I06 mock treatment 4.6909 0.536 0.51 4.1734 -0.436 -0.39 0.0838 0.1311 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I07 compound treatment 4.4068 0.252 0.24 4.3267 -0.283 -0.25 -0.0097 -0.0279 3069840 PK04_101165 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I08 compound treatment 5.2185 1.06 1.01 4.6267 0.0174 0.02 0.7229 0.7179 3189522 PK04_101166 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I09 compound treatment 4.5768 0.422 0.4 4.367 -0.242 -0.22 0.1295 0.2852 3189523 PK04_101167 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I10 compound treatment 4.2694 0.115 0.11 4.1056 -0.504 -0.45 -0.2412 -0.5215 3069841 PK04_101168 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I11 compound treatment 5.2399 1.09 1.03 4.1431 -0.466 -0.42 0.4322 0.39 3189524 PK04_101169 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I12 compound treatment 6.1944 2.04 1.93 4.5043 -0.105 -0.09 1.2989 0.672 3189640 PK04_101170 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I13 compound treatment 5.4455 1.29 1.22 4.2525 -0.357 -0.32 0.6388 0.5059 3069842 PK04_101171 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I14 compound treatment 4.4824 0.328 0.31 5.4644 0.855 0.76 0.7587 0.9213 3189641 PK04_101172 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I15 compound treatment 4.2238 0.069 0.07 6.1486 1.54 1.37 1.0173 0.7399 3069843 PK04_101173 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I16 compound treatment 3.825 -0.33 -0.31 4.9888 0.379 0.34 0.0186 0.0404 3189642 PK04_101174 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I17 compound treatment 4.8195 0.665 0.63 5.7786 1.17 1.04 1.1826 0.9707 3069844 PK04_101175 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I18 compound treatment 4.1375 -0.0173 -0.02 5.3481 0.739 0.66 0.4545 0.6894 3189643 PK04_101176 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I19 compound treatment 4.6098 0.455 0.43 5.367 0.758 0.68 0.7825 0.9763 3069845 PK04_101177 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I20 compound treatment 5.3362 1.18 1.12 5.456 0.847 0.76 1.3248 0.9818 3189644 PK04_101178 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I21 mock treatment 4.9495 0.795 0.75 5.1657 0.556 0.5 0.8829 0.9796 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I22 mock treatment 3.7312 -0.424 -0.4 5.0438 0.434 0.39 -0.0095 -0.017 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I23 compound treatment 4.4571 0.302 0.29 5.4563 0.847 0.76 0.7367 0.9117 3189645 PK04_101179 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 I24 compound treatment 3.62 -0.535 -0.51 4.5175 -0.0918 -0.08 -0.4159 -0.811 3069846 PK04_101180 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J01 compound treatment 4.2549 0.1 0.09 4.147 -0.462 -0.41 -0.2247 -0.5308 3189646 PK04_101181 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J02 compound treatment 4.2552 0.1 0.1 3.9784 -0.631 -0.56 -0.3308 -0.5795 3189647 PK04_101182 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J03 compound treatment 4.7378 0.583 0.55 4.6343 0.0249 0.02 0.4059 0.735 3069847 PK04_101183 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J04 compound treatment 4.6258 0.471 0.45 5.1225 0.513 0.46 0.6389 0.9999 3189647 PK04_101184 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J05 mock treatment 4.4496 0.295 0.28 4.5446 -0.0647 -0.06 0.1565 0.5491 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J06 mock treatment 4.0464 -0.108 -0.1 4.3069 -0.302 -0.27 -0.2634 -0.9123 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J07 compound treatment 4.6021 0.447 0.42 4.7186 0.109 0.1 0.3683 0.8477 3189648 PK04_101185 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J08 compound treatment 4.8621 0.707 0.67 4.7957 0.186 0.17 0.591 0.8567 3189649 PK04_101186 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J09 compound treatment 4.1843 0.0295 0.03 4.4105 -0.199 -0.18 -0.1057 -0.5885 3069848 PK04_101187 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J10 compound treatment 4.7521 0.597 0.57 5.4183 0.809 0.72 0.9101 0.9927 3189649 PK04_101188 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J11 compound treatment 6.413 2.26 2.14 4.565 -0.0443 -0.04 1.4836 0.6939 3189650 PK04_101189 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J12 compound treatment 4.4488 0.294 0.28 4.2179 -0.392 -0.35 -0.0502 -0.1125 3189651 PK04_101190 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J13 compound treatment 5.7036 1.55 1.47 4.2574 -0.352 -0.31 0.8146 0.5433 3069849 PK04_101191 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J14 compound treatment 4.2043 0.0495 0.05 4.4063 -0.203 -0.18 -0.095 -0.5077 3189651 PK04_101192 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J15 compound treatment 4.0368 -0.118 -0.11 6.0067 1.4 1.25 0.8026 0.6412 3189652 PK04_101193 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J16 compound treatment 5.1315 0.977 0.92 5.693 1.08 0.97 1.3374 0.9997 3069850 PK04_101194 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J17 compound treatment 4.5853 0.43 0.41 5.1173 0.508 0.45 0.6086 0.9986 3189653 PK04_101195 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J18 compound treatment 4.793 0.638 0.6 5.6139 1.0 0.9 1.0609 0.9816 3069850 PK04_101196 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J19 compound treatment 4.2724 0.118 0.11 5.0671 0.458 0.41 0.3675 0.8682 3189654 PK04_101197 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J20 compound treatment 4.5373 0.383 0.36 5.232 0.623 0.56 0.6489 0.9785 3069851 PK04_101198 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J21 mock treatment 4.1809 0.0261 0.02 5.5277 0.918 0.82 0.5968 0.7281 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J22 mock treatment 4.7465 0.592 0.56 5.1106 0.501 0.45 0.7122 0.9938 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J23 compound treatment 4.6955 0.541 0.51 4.6239 0.0145 0.01 0.3711 0.7247 3189655 PK04_101199 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 J24 compound treatment 4.76 0.605 0.57 4.4174 -0.192 -0.17 0.284 0.475 3069851 PK04_101200 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K01 compound treatment 3.6294 -0.525 -0.5 3.8303 -0.779 -0.7 -0.8432 -0.9865 3189656 PK04_101201 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K02 compound treatment 4.5843 0.429 0.41 3.7888 -0.821 -0.73 -0.2302 -0.2749 3189657 PK04_101202 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K03 compound treatment 4.6548 0.5 0.47 4.4159 -0.193 -0.17 0.2126 0.422 3069890 PK04_101203 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K04 compound treatment 4.6628 0.508 0.48 4.5428 -0.0666 -0.06 0.298 0.615 3189658 PK04_101204 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K05 compound treatment 5.1291 0.974 0.92 4.2542 -0.355 -0.32 0.428 0.4389 3069891 PK04_101205 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K06 compound treatment 3.9388 -0.216 -0.2 4.688 0.0786 0.07 -0.095 -0.4394 3189659 PK04_101206 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K07 mock treatment 4.6168 0.462 0.44 5.3341 0.725 0.65 0.7664 0.9819 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K08 mock treatment 3.7925 -0.362 -0.34 4.6623 0.0529 0.05 -0.2091 -0.6041 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K09 compound treatment 3.9161 -0.239 -0.23 5.2035 0.594 0.53 0.2151 0.3732 3187684 PK04_101207 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K10 compound treatment 5.192 1.04 0.98 5.7958 1.19 1.06 1.4427 0.9993 3069892 PK04_101208 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K11 compound treatment 4.6101 0.455 0.43 4.1186 -0.491 -0.44 -0.0048 -0.0079 3187685 PK04_101209 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K12 compound treatment 3.8488 -0.306 -0.29 4.3592 -0.25 -0.22 -0.3627 -0.9917 3187686 PK04_101210 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K13 compound treatment 4.3242 0.169 0.16 4.7654 0.156 0.14 0.2119 0.9975 3069893 PK04_101211 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K14 compound treatment 4.2887 0.134 0.13 5.606 0.997 0.89 0.7184 0.7998 3187687 PK04_101212 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K15 mock treatment 4.6 0.445 0.42 5.6167 1.01 0.9 0.9335 0.9404 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K16 mock treatment 3.3074 -0.847 -0.8 5.9138 1.3 1.16 0.2557 0.1809 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K17 compound treatment 5.3482 1.19 1.13 6.0158 1.41 1.25 1.6861 0.9986 3069894 PK04_101213 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K18 compound treatment 4.4597 0.305 0.29 5.0941 0.485 0.43 0.5099 0.9807 3187688 PK04_101214 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K19 compound treatment 3.8699 -0.285 -0.27 6.1485 1.54 1.37 0.7804 0.5576 3069895 PK04_101215 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K20 compound treatment 4.1518 -0.003 0.0 4.9691 0.36 0.32 0.2249 0.7008 3187689 PK04_101216 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K21 compound treatment 4.6467 0.492 0.47 5.9278 1.32 1.18 1.161 0.9177 3187690 PK04_101217 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K22 compound treatment 4.4178 0.263 0.25 4.7275 0.118 0.11 0.2505 0.9268 3069896 PK04_101218 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K23 mock treatment 3.7228 -0.432 -0.41 4.9739 0.365 0.33 -0.0591 -0.1132 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 K24 mock treatment 3.7261 -0.429 -0.41 5.1415 0.532 0.47 0.0488 0.0781 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L01 compound treatment 4.8125 0.658 0.62 4.4065 -0.203 -0.18 0.3122 0.4816 3187691 PK04_101219 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L02 compound treatment 4.3364 0.182 0.17 4.3524 -0.257 -0.23 -0.0406 -0.1416 3187692 PK04_101220 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L03 compound treatment 3.802 -0.353 -0.33 4.3916 -0.218 -0.19 -0.3735 -0.9668 3069897 PK04_101221 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L04 compound treatment 3.8817 -0.273 -0.26 4.6382 0.0289 0.03 -0.1646 -0.6335 3187693 PK04_101222 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L05 compound treatment 5.0914 0.937 0.89 4.3503 -0.259 -0.23 0.4635 0.5059 3187694 PK04_101223 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L06 compound treatment 4.01 -0.145 -0.14 4.2375 -0.372 -0.33 -0.3315 -0.9235 3187693 PK04_101224 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L07 mock treatment 4.3126 0.158 0.15 4.3114 -0.298 -0.27 -0.0824 -0.2702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L08 mock treatment 4.2545 0.0997 0.09 5.1665 0.557 0.5 0.4182 0.8266 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L09 compound treatment 4.4937 0.339 0.32 4.1449 -0.464 -0.41 -0.0661 -0.1262 3069898 PK04_101225 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L10 compound treatment 5.2528 1.1 1.04 4.8472 0.238 0.21 0.885 0.8342 3187692 PK04_101226 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L11 compound treatment 4.2594 0.105 0.1 4.8293 0.22 0.2 0.2088 0.9499 3187695 PK04_101227 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L12 compound treatment 3.9249 -0.23 -0.22 4.2468 -0.363 -0.32 -0.3826 -0.9814 3187696 PK04_101228 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L13 compound treatment 5.0254 0.871 0.82 4.9088 0.299 0.27 0.7716 0.8907 3069899 PK04_101229 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L14 compound treatment 4.4226 0.268 0.25 4.9508 0.341 0.3 0.3946 0.9958 3187696 PK04_101230 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L15 mock treatment 4.6027 0.448 0.42 5.1027 0.493 0.44 0.6111 0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L16 mock treatment 4.6263 0.472 0.45 5.0848 0.475 0.42 0.6156 0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L17 compound treatment 4.3161 0.161 0.15 5.3586 0.749 0.67 0.5806 0.8468 3187697 PK04_101231 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L18 compound treatment 4.3364 0.182 0.17 4.6697 0.0603 0.05 0.1596 0.8861 3187698 PK04_101232 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L19 compound treatment 4.3032 0.148 0.14 5.0484 0.439 0.39 0.3763 0.9043 3069900 PK04_101233 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L20 compound treatment 5.0474 0.893 0.84 5.6991 1.09 0.97 1.2849 0.9976 3187698 PK04_101234 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L21 compound treatment 3.7213 -0.433 -0.41 4.9104 0.301 0.27 -0.1002 -0.2044 3187699 PK04_101235 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L22 compound treatment 3.9451 -0.21 -0.2 5.2175 0.608 0.54 0.2433 0.4211 3187700 PK04_101236 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L23 mock treatment 3.8203 -0.335 -0.32 4.8947 0.285 0.25 -0.0439 -0.108 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 L24 mock treatment 3.6309 -0.524 -0.5 4.4112 -0.198 -0.18 -0.4757 -0.9035 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M01 compound treatment 3.6021 -0.553 -0.52 3.9812 -0.628 -0.56 -0.7662 -0.9994 3187701 PK04_101237 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M02 compound treatment 3.6552 -0.5 -0.47 4.0971 -0.512 -0.46 -0.6576 -0.9999 3069926 PK04_101238 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M03 compound treatment 4.0471 -0.108 -0.1 4.1123 -0.497 -0.44 -0.3857 -0.8476 3187702 PK04_101239 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M04 compound treatment 3.2927 -0.862 -0.82 3.4356 -1.17 -1.05 -1.3176 -0.9924 3069927 PK04_101240 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M05 compound treatment 4.4101 0.255 0.24 4.1471 -0.462 -0.41 -0.1208 -0.2526 3187703 PK04_101241 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M06 compound treatment 3.9411 -0.214 -0.2 4.2191 -0.39 -0.35 -0.3892 -0.9666 3187824 PK04_101242 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M07 compound treatment 3.854 -0.301 -0.28 4.2041 -0.405 -0.36 -0.457 -0.993 3069928 PK04_101243 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M08 compound treatment 4.1586 0.00383 0.0 4.1292 -0.48 -0.43 -0.3004 -0.7011 3187825 PK04_101244 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M09 mock treatment 3.7742 -0.381 -0.36 4.7455 0.136 0.12 -0.1689 -0.4441 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M10 mock treatment 2.8904 -1.26 -1.2 4.3246 -0.285 -0.25 -1.026 -0.8385 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M11 compound treatment 4.1508 -0.00398 0.0 4.2508 -0.359 -0.32 -0.2289 -0.7154 3187826 PK04_101245 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M12 compound treatment 3.9229 -0.232 -0.22 4.0849 -0.524 -0.47 -0.4861 -0.9405 3069929 PK04_101246 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M13 mock treatment 4.7221 0.567 0.54 4.6649 0.0556 0.05 0.4148 0.7691 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M14 mock treatment 3.8877 -0.267 -0.25 5.4104 0.801 0.71 0.3266 0.4308 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M15 compound treatment 4.6375 0.483 0.46 4.6637 0.0544 0.05 0.3574 0.7778 3187827 PK04_101247 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M16 compound treatment 3.8022 -0.353 -0.33 4.6615 0.0521 0.05 -0.2031 -0.6028 3187828 PK04_101248 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M17 compound treatment 5.473 1.32 1.25 4.65 0.0406 0.04 0.908 0.7273 3069930 PK04_101249 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M18 compound treatment 4.478 0.323 0.31 6.07 1.46 1.3 1.1378 0.85 3187829 PK04_101250 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M19 compound treatment 4.3518 0.197 0.19 3.9832 -0.626 -0.56 -0.2632 -0.4468 3069931 PK04_101251 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M20 compound treatment 4.5692 0.414 0.39 4.5541 -0.0553 -0.05 0.2424 0.6133 3187830 PK04_101252 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M21 compound treatment 5.9554 1.8 1.7 5.3299 0.72 0.64 1.6598 0.9111 3187831 PK04_101253 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M22 compound treatment 4.6385 0.484 0.46 4.6596 0.0502 0.04 0.3555 0.7726 3069932 PK04_101254 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M23 compound treatment 4.1524 -0.00235 0.0 5.3249 0.716 0.64 0.4498 0.7046 3187832 PK04_101255 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 M24 compound treatment 3.7368 -0.418 -0.4 5.4125 0.803 0.72 0.2269 0.2772 3187833 PK04_101256 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N01 compound treatment 4.4919 0.337 0.32 4.7055 0.0961 0.09 0.2863 0.8664 3069933 PK04_101257 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N02 compound treatment 4.3113 0.157 0.15 4.8447 0.235 0.21 0.2533 0.9854 3187700 PK04_101258 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N03 compound treatment 4.5934 0.439 0.42 4.1086 -0.501 -0.45 -0.0224 -0.0367 3187834 PK04_101259 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N04 compound treatment 4.668 0.513 0.49 4.1263 -0.483 -0.43 0.0388 0.0597 3069934 PK04_101260 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N05 compound treatment 3.7362 -0.419 -0.4 3.6861 -0.923 -0.82 -0.8627 -0.9437 3187835 PK04_101261 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N06 compound treatment 3.1285 -1.03 -0.97 4.5484 -0.061 -0.05 -0.7254 -0.7456 3069934 PK04_101262 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N07 compound treatment 5.0647 0.91 0.86 3.944 -0.665 -0.59 0.1893 0.1809 3187836 PK04_101263 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N08 compound treatment 5.6275 1.47 1.39 5.5915 0.982 0.88 1.6054 0.975 3069935 PK04_101264 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N09 mock treatment 3.7164 -0.438 -0.41 3.9974 -0.612 -0.55 -0.6795 -0.9908 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N10 mock treatment 3.846 -0.309 -0.29 4.5962 -0.0131 -0.01 -0.215 -0.7349 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N11 compound treatment 2.9919 -1.16 -1.1 4.1153 -0.494 -0.44 -1.0901 -0.9193 3187837 PK04_101265 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N12 compound treatment 4.9158 0.761 0.72 5.9797 1.37 1.22 1.3739 0.9682 3069935 PK04_101266 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N13 mock treatment 4.4213 0.267 0.25 4.6417 0.0323 0.03 0.1988 0.7828 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N14 mock treatment 4.1832 0.0285 0.03 4.2955 -0.314 -0.28 -0.179 -0.6362 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N15 compound treatment 4.9619 0.807 0.76 4.7789 0.169 0.15 0.6472 0.8309 3069936 PK04_101267 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N16 compound treatment 5.1662 1.01 0.96 4.0883 -0.521 -0.46 0.3483 0.3272 3187838 PK04_101268 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N17 compound treatment 5.4386 1.28 1.22 4.7921 0.183 0.16 0.9746 0.7948 3187839 PK04_101269 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N18 compound treatment 5.1567 1.0 0.95 4.1 -0.509 -0.45 0.3493 0.3321 3187838 PK04_101270 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N19 compound treatment 4.588 0.433 0.41 4.6512 0.0418 0.04 0.3163 0.7682 3187840 PK04_101271 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N20 compound treatment 3.3431 -0.812 -0.77 5.2446 0.635 0.57 -0.1426 -0.1494 3187841 PK04_101272 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N21 compound treatment 4.4038 0.249 0.24 4.7365 0.127 0.11 0.2468 0.9438 3069973 PK04_101273 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N22 compound treatment 3.071 -1.08 -1.03 5.6368 1.03 0.92 -0.0773 -0.0562 3187841 PK04_101274 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N23 compound treatment 3.9275 -0.227 -0.22 5.1085 0.499 0.45 0.1628 0.3291 3187842 PK04_101275 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 N24 compound treatment 3.5887 -0.566 -0.54 4.8842 0.275 0.25 -0.2055 -0.3488 3187843 PK04_101276 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O01 compound treatment 3.718 -0.437 -0.41 3.5525 -1.06 -0.94 -0.9591 -0.9316 3069974 PK04_101277 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O02 compound treatment 3.3739 -0.781 -0.74 4.1724 -0.437 -0.39 -0.7984 -0.9553 3187957 PK04_101278 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O03 compound treatment 3.744 -0.411 -0.39 3.8071 -0.802 -0.72 -0.7811 -0.9589 3187958 PK04_101279 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O04 compound treatment 3.8718 -0.283 -0.27 4.1037 -0.506 -0.45 -0.5085 -0.969 3069975 PK04_101280 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O05 compound treatment 3.5456 -0.609 -0.58 3.7851 -0.824 -0.74 -0.9278 -0.9928 3187959 PK04_101281 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O06 compound treatment 3.4111 -0.744 -0.7 3.6345 -0.975 -0.87 -1.1128 -0.9945 3187960 PK04_101282 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O07 compound treatment 3.8027 -0.352 -0.33 3.9273 -0.682 -0.61 -0.666 -0.9598 3069976 PK04_101283 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O08 compound treatment 3.6326 -0.522 -0.49 3.5551 -1.05 -0.94 -1.0146 -0.9549 3187961 PK04_101284 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O09 compound treatment 4.3564 0.202 0.19 4.062 -0.547 -0.49 -0.2104 -0.4012 3069977 PK04_101285 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O10 compound treatment 3.2165 -0.938 -0.89 3.6528 -0.957 -0.85 -1.2315 -0.9998 3187962 PK04_101286 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O11 mock treatment 3.2023 -0.952 -0.9 4.0609 -0.549 -0.49 -0.9836 -0.9588 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O12 mock treatment 3.3042 -0.851 -0.81 3.3333 -1.28 -1.14 -1.3744 -0.9856 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O13 compound treatment 3.5733 -0.581 -0.55 3.9042 -0.705 -0.63 -0.8341 -0.9978 3187963 PK04_101287 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O14 compound treatment 3.7939 -0.361 -0.34 4.1207 -0.489 -0.44 -0.5499 -0.9927 3069978 PK04_101288 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O15 compound treatment 3.8175 -0.337 -0.32 3.6205 -0.989 -0.88 -0.8496 -0.9055 3187964 PK04_101289 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O16 compound treatment 3.8245 -0.33 -0.31 3.731 -0.878 -0.78 -0.7752 -0.9188 3187965 PK04_101290 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O17 compound treatment 3.7527 -0.402 -0.38 4.2094 -0.4 -0.36 -0.5215 -0.9995 3069979 PK04_101291 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O18 compound treatment 3.295 -0.86 -0.81 4.085 -0.524 -0.47 -0.9063 -0.9654 3187966 PK04_101292 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O19 compound treatment 3.6895 -0.465 -0.44 4.2832 -0.326 -0.29 -0.5172 -0.9798 3187967 PK04_101293 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O20 compound treatment 3.3828 -0.772 -0.73 4.2107 -0.399 -0.36 -0.7682 -0.9452 3069980 PK04_101294 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O21 compound treatment 3.3788 -0.776 -0.73 3.8529 -0.756 -0.67 -0.9967 -0.9991 3187968 PK04_101295 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O22 compound treatment 4.6418 0.487 0.46 4.2411 -0.368 -0.33 0.0936 0.1654 3069981 PK04_101296 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O23 compound treatment 3.6284 -0.526 -0.5 4.0009 -0.608 -0.54 -0.7362 -0.9991 3187969 PK04_101297 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 O24 compound treatment 3.4432 -0.712 -0.67 4.6204 0.011 0.01 -0.4694 -0.6968 3187970 PK04_101298 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P01 compound treatment 3.059 -1.1 -1.04 3.8921 -0.717 -0.64 -1.186 -0.9731 3069982 PK04_101299 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P02 compound treatment 3.1538 -1.0 -0.95 4.0967 -0.513 -0.46 -0.9934 -0.9442 3187843 PK04_101300 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P03 compound treatment 3.6281 -0.527 -0.5 4.2431 -0.366 -0.33 -0.5836 -0.979 3187971 PK04_101301 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P04 compound treatment 4.7129 0.558 0.53 5.4738 0.864 0.77 0.9189 0.983 3069983 PK04_101302 OCCOCCN(C(C(=O)N(CC=C)Cc1ccccc1)c2cccs2)C(=O)/C=C\C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P05 compound treatment 3.1182 -1.04 -0.98 3.515 -1.09 -0.98 -1.3842 -1.0 3187972 PK04_101303 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P06 compound treatment 4.9237 0.769 0.73 5.3588 0.749 0.67 0.9875 0.9991 3187973 PK04_101304 OCCOCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P07 compound treatment 3.6602 -0.495 -0.47 3.4106 -1.2 -1.07 -1.0873 -0.9313 3069985 PK04_101305 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P08 compound treatment 3.501 -0.654 -0.62 4.0596 -0.55 -0.49 -0.7845 -0.9934 3187974 PK04_101306 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P09 compound treatment 3.6226 -0.532 -0.5 3.5138 -1.1 -0.98 -1.0474 -0.9525 3187975 PK04_101307 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P10 compound treatment 3.0491 -1.11 -1.05 3.1668 -1.44 -1.29 -1.6502 -0.9947 3187974 PK04_101308 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P11 mock treatment 3.2898 -0.865 -0.82 4.2678 -0.342 -0.3 -0.7945 -0.9094 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P12 mock treatment 3.0639 -1.09 -1.03 3.6549 -0.955 -0.85 -1.3324 -0.9954 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P13 compound treatment 3.0912 -1.06 -1.01 4.4325 -0.177 -0.16 -0.8235 -0.8081 3069986 PK04_101309 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P14 compound treatment 4.6709 0.516 0.49 5.4479 0.838 0.75 0.8744 0.9787 3069301 PK04_101310 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P15 compound treatment 3.4845 -0.67 -0.63 4.3363 -0.273 -0.24 -0.621 -0.9136 3187976 PK04_101311 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P16 compound treatment 4.7903 0.635 0.6 6.2398 1.63 1.45 1.454 0.9237 3069301 PK04_101312 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P17 compound treatment 3.5595 -0.595 -0.56 4.4654 -0.144 -0.13 -0.4893 -0.8466 3187977 PK04_101313 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P18 compound treatment 2.8602 -1.29 -1.23 4.1878 -0.422 -0.38 -1.1325 -0.8835 3069302 PK04_101314 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P19 compound treatment 3.2587 -0.896 -0.85 3.8641 -0.745 -0.66 -1.07 -0.9927 3189130 PK04_101315 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P20 compound treatment 2.9184 -1.24 -1.17 4.2933 -0.316 -0.28 -1.0269 -0.8531 3069302 PK04_101316 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P21 compound treatment 3.165 -0.99 -0.94 3.4633 -1.15 -1.02 -1.3856 -0.999 3189131 PK04_101317 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P22 compound treatment 5.7007 1.55 1.46 5.2506 0.641 0.57 1.4393 0.916 3069303 PK04_101318 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P23 compound treatment 3.4461 -0.709 -0.67 3.6965 -0.913 -0.81 -1.0503 -0.9954 3069685 PK04_101319 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2101 P24 compound treatment 3.2156 -0.939 -0.89 4.8973 0.288 0.26 -0.447 -0.483 3069303 PK04_101320 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A01 compound treatment 3.5244 -1.43 -1.35 3.6833 -1.23 -1.09 -1.7278 -0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A02 compound treatment 1.4622 -3.49 -3.3 1.661 -3.25 -2.9 -4.384 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A03 compound treatment 3.3965 -1.55 -1.47 3.2875 -1.62 -1.45 -2.0631 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A04 compound treatment 1.4203 -3.53 -3.34 1.2838 -3.63 -3.23 -4.65 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A05 compound treatment 3.9086 -1.04 -0.99 3.8631 -1.05 -0.93 -1.3572 -0.9996 3069305 PK04_102005 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A06 compound treatment 4.7197 -0.231 -0.22 4.4351 -0.474 -0.42 -0.4535 -0.9526 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A07 compound treatment 3.7414 -1.21 -1.14 4.1504 -0.759 -0.68 -1.2879 -0.9686 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A08 compound treatment 1.7885 -3.16 -2.99 1.8637 -3.05 -2.72 -4.0377 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A09 compound treatment 1.8925 -3.06 -2.89 2.8547 -2.05 -1.83 -3.3429 -0.9757 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A10 compound treatment 1.5606 -3.39 -3.21 1.4113 -3.5 -3.12 -4.4756 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A11 compound treatment 4.3242 -0.626 -0.59 4.6434 -0.266 -0.24 -0.5867 -0.9192 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A12 compound treatment 4.5579 -0.392 -0.37 5.012 0.103 0.09 -0.1978 -0.517 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A13 mock treatment 4.8114 -0.139 -0.13 5.047 0.138 0.12 -0.006 -0.0333 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A14 mock treatment 5.2188 0.269 0.25 4.899 -0.0102 -0.01 0.1733 0.6812 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A15 compound treatment 1.9747 -2.98 -2.82 2.0508 -2.86 -2.55 -3.795 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A16 compound treatment 3.8331 -1.12 -1.06 3.6175 -1.29 -1.15 -1.5627 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A17 compound treatment 1.9076 -3.04 -2.88 2.3054 -2.6 -2.32 -3.6793 -0.9943 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A18 compound treatment 1.6188 -3.33 -3.15 2.0094 -2.9 -2.59 -4.0593 -0.9952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A19 compound treatment 4.5039 -0.446 -0.42 3.8016 -1.11 -0.99 -0.9975 -0.9282 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A20 compound treatment 2.0049 -2.95 -2.79 2.2741 -2.64 -2.35 -3.6339 -0.9964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A21 compound treatment 4.9074 -0.0429 -0.04 4.3957 -0.514 -0.46 -0.3527 -0.7667 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A22 compound treatment 1.7538 -3.2 -3.03 1.7104 -3.2 -2.85 -4.1576 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A23 compound treatment 2.4976 -2.45 -2.32 3.2303 -1.68 -1.5 -2.7009 -0.9775 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 A24 compound treatment 3.6647 -1.29 -1.22 3.0984 -1.81 -1.62 -2.003 -0.9902 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B01 compound treatment 3.8868 -1.06 -1.01 4.4621 -0.447 -0.4 -0.9939 -0.9179 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B02 compound treatment 2.933 -2.02 -1.91 2.2073 -2.7 -2.41 -3.0548 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B03 compound treatment 1.6077 -3.34 -3.16 1.7372 -3.17 -2.83 -4.2385 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B04 compound treatment 3.3261 -1.62 -1.54 3.9976 -0.912 -0.81 -1.6623 -0.9557 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B05 compound treatment 3.3111 -1.64 -1.55 4.2629 -0.646 -0.58 -1.505 -0.9092 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B06 compound treatment 3.4363 -1.51 -1.43 3.538 -1.37 -1.22 -1.8785 -0.9969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B07 compound treatment 4.9899 0.0396 0.04 4.5053 -0.404 -0.36 -0.2283 -0.6301 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B08 compound treatment 3.5339 -1.42 -1.34 3.1757 -1.73 -1.55 -2.0416 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B09 compound treatment 3.7162 -1.23 -1.17 5.3455 0.436 0.39 -0.5508 -0.4473 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B10 compound treatment 2.8135 -2.14 -2.02 4.5793 -0.33 -0.29 -1.6384 -0.8016 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B11 compound treatment 1.436 -3.51 -3.33 1.9888 -2.92 -2.61 -4.1947 -0.9927 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B12 compound treatment 2.7651 -2.19 -2.07 3.7755 -1.13 -1.01 -2.1779 -0.9459 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B13 mock treatment 5.9569 1.01 0.95 4.5004 -0.409 -0.36 0.4159 0.4076 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B14 mock treatment 4.7628 -0.187 -0.18 4.5508 -0.358 -0.32 -0.3516 -0.9614 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B15 compound treatment 2.3387 -2.61 -2.47 2.5059 -2.4 -2.14 -3.2642 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B16 compound treatment 4.1237 -0.826 -0.78 4.1064 -0.803 -0.72 -1.0597 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B17 compound treatment 3.3772 -1.57 -1.49 3.5865 -1.32 -1.18 -1.8874 -0.9934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B18 compound treatment 4.2434 -0.707 -0.67 4.1712 -0.738 -0.66 -0.9387 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B19 compound treatment 1.7289 -3.22 -3.05 1.7485 -3.16 -2.82 -4.1502 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B20 compound treatment 4.3234 -0.627 -0.59 5.261 0.352 0.31 -0.1977 -0.2945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B21 compound treatment 4.0691 -0.881 -0.83 4.41 -0.499 -0.45 -0.9048 -0.9568 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B22 compound treatment 2.8434 -2.11 -1.99 2.6409 -2.27 -2.02 -2.8413 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B23 compound treatment 2.4698 -2.48 -2.35 2.6616 -2.25 -2.01 -3.0783 -0.9969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 B24 compound treatment 3.4915 -1.46 -1.38 3.7543 -1.15 -1.03 -1.7051 -0.9896 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C01 compound treatment 3.9435 -1.01 -0.95 4.0124 -0.897 -0.8 -1.2397 -0.9962 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C02 compound treatment 4.3044 -0.646 -0.61 4.9465 0.0372 0.03 -0.4088 -0.6677 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C03 compound treatment 3.1529 -1.8 -1.7 3.1474 -1.76 -1.57 -2.3146 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C04 compound treatment 5.1324 0.182 0.17 5.0578 0.149 0.13 0.2156 0.9916 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C05 compound treatment 3.6186 -1.33 -1.26 4.0875 -0.822 -0.73 -1.4097 -0.9667 3069360 PK04_102049 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C06 compound treatment 2.2331 -2.72 -2.57 2.7402 -2.17 -1.94 -3.1871 -0.9902 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C07 compound treatment 3.6474 -1.3 -1.23 3.9932 -0.916 -0.82 -1.45 -0.98 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C08 compound treatment 3.6802 -1.27 -1.2 3.7943 -1.11 -0.99 -1.5535 -0.9956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C09 compound treatment 3.4188 -1.53 -1.45 3.1399 -1.77 -1.58 -2.1413 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C10 compound treatment 2.9185 -2.03 -1.92 2.7229 -2.19 -1.95 -2.7393 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C11 mock treatment 4.9394 -0.0108 -0.01 5.3505 0.441 0.39 0.2712 0.6884 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C12 mock treatment 4.1443 -0.806 -0.76 4.4452 -0.464 -0.41 -0.8322 -0.9587 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C13 compound treatment 3.7654 -1.18 -1.12 4.0898 -0.819 -0.73 -1.31 -0.9785 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C14 compound treatment 3.6878 -1.26 -1.2 3.8771 -1.03 -0.92 -1.4962 -0.9917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C15 mock treatment 4.6115 -0.339 -0.32 4.7284 -0.181 -0.16 -0.3409 -0.9495 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C16 mock treatment 4.7028 -0.247 -0.23 4.7252 -0.184 -0.16 -0.2817 -0.9849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C17 compound treatment 3.5426 -1.41 -1.33 4.129 -0.78 -0.7 -1.4344 -0.9542 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C18 compound treatment 1.82 -3.13 -2.96 1.9919 -2.92 -2.6 -3.9357 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C19 compound treatment 3.8312 -1.12 -1.06 4.161 -0.748 -0.67 -1.2211 -0.9752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C20 compound treatment 4.4004 -0.55 -0.52 3.614 -1.3 -1.16 -1.1851 -0.9351 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C21 compound treatment 2.3258 -2.62 -2.48 2.0856 -2.82 -2.52 -3.5381 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C22 compound treatment 4.0095 -0.941 -0.89 3.2337 -1.68 -1.49 -1.6867 -0.9694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C23 compound treatment 1.3417 -3.61 -3.42 1.6919 -3.22 -2.87 -4.4451 -0.9963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 C24 compound treatment 2.4241 -2.53 -2.39 2.0742 -2.84 -2.53 -3.4795 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D01 compound treatment 3.9371 -1.01 -0.96 3.5261 -1.38 -1.23 -1.5508 -0.9922 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D02 compound treatment 2.5838 -2.37 -2.24 2.9317 -1.98 -1.76 -2.8316 -0.993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D03 compound treatment 1.5506 -3.4 -3.22 1.2725 -3.64 -3.24 -4.5699 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D04 compound treatment 1.876 -3.07 -2.91 1.9647 -2.94 -2.63 -3.9154 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D05 compound treatment 3.9393 -1.01 -0.96 4.9589 0.0497 0.04 -0.6453 -0.6736 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D06 compound treatment 4.8679 -0.0823 -0.08 4.3134 -0.596 -0.53 -0.431 -0.8022 3188362 PK04_102070 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D07 compound treatment 3.2456 -1.7 -1.61 2.9846 -1.92 -1.72 -2.3553 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D08 compound treatment 5.0684 0.118 0.11 4.8097 -0.0995 -0.09 0.0163 0.114 3069401 PK04_102072 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D09 compound treatment 4.0839 -0.866 -0.82 4.5305 -0.379 -0.34 -0.8189 -0.9232 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D10 compound treatment 8.6181 3.67 3.47 7.1591 2.25 2.01 3.8745 0.9661 3069402 PK04_102074 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D11 mock treatment 3.9635 -0.987 -0.93 4.6644 -0.245 -0.22 -0.815 -0.8496 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D12 mock treatment 4.9663 0.016 0.02 3.8271 -1.08 -0.97 -0.672 -0.6959 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D13 compound treatment 3.4995 -1.45 -1.37 3.2295 -1.68 -1.5 -2.0307 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D14 compound treatment 7.9182 2.97 2.81 6.1573 1.25 1.11 2.774 0.9179 3188365 PK04_102076 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D15 mock treatment 4.0626 -0.888 -0.84 4.2907 -0.619 -0.55 -0.9844 -0.9792 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D16 mock treatment 4.2936 -0.657 -0.62 4.0064 -0.903 -0.81 -1.0091 -0.9918 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D17 compound treatment 1.3878 -3.56 -3.37 1.4139 -3.5 -3.12 -4.5897 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D18 compound treatment 6.4874 1.54 1.46 6.3601 1.45 1.29 1.9443 0.9983 3069404 PK04_102078 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D19 compound treatment 4.0689 -0.881 -0.83 3.9107 -0.999 -0.89 -1.2199 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D20 compound treatment 6.6636 1.71 1.62 7.1733 2.26 2.02 2.5752 0.9941 3069405 PK04_102080 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D21 compound treatment 2.7019 -2.25 -2.13 2.7844 -2.12 -1.9 -2.8454 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D22 compound treatment 7.1361 2.19 2.07 7.5731 2.66 2.38 3.1436 0.9976 3069440 PK04_102082 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D23 compound treatment 3.0206 -1.93 -1.83 2.6481 -2.26 -2.02 -2.7181 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 D24 compound treatment 3.9901 -0.96 -0.91 3.7167 -1.19 -1.06 -1.395 -0.9969 3069441 PK04_102084 O[C@H](CC=C)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E01 mock treatment 5.128 0.178 0.17 4.3221 -0.587 -0.52 -0.2514 -0.457 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E02 mock treatment 4.7876 -0.163 -0.15 4.7591 -0.15 -0.13 -0.2036 -0.9976 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E03 compound treatment 4.6622 -0.288 -0.27 3.9391 -0.97 -0.87 -0.8049 -0.8869 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E04 compound treatment 1.9144 -3.04 -2.87 2.0864 -2.82 -2.52 -3.8129 -0.9978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E05 compound treatment 2.1648 -2.79 -2.64 2.3109 -2.6 -2.32 -3.5037 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E06 compound treatment 3.9694 -0.981 -0.93 3.7909 -1.12 -1.0 -1.3621 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E07 compound treatment 3.3917 -1.56 -1.48 4.0569 -0.852 -0.76 -1.581 -0.9525 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E08 compound treatment 2.8922 -2.06 -1.95 2.4811 -2.43 -2.17 -2.9094 -0.9986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E09 mock treatment 5.206 0.256 0.24 4.4907 -0.419 -0.37 -0.0929 -0.2087 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E10 mock treatment 4.2295 -0.721 -0.68 5.5587 0.649 0.58 -0.0727 -0.0812 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E11 compound treatment 3.0606 -1.89 -1.79 3.4443 -1.46 -1.31 -2.1891 -0.9881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E12 compound treatment 1.9636 -2.99 -2.83 2.162 -2.75 -2.45 -3.7323 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E13 compound treatment 2.508 -2.44 -2.31 2.4424 -2.47 -2.2 -3.191 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E14 compound treatment 1.7316 -3.22 -3.05 1.8032 -3.11 -2.77 -4.1139 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E15 compound treatment 1.4465 -3.5 -3.32 1.6458 -3.26 -2.91 -4.4041 -0.9979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E16 compound treatment 4.1449 -0.805 -0.76 4.4738 -0.435 -0.39 -0.8137 -0.9511 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E17 mock treatment 4.553 -0.397 -0.38 4.2092 -0.7 -0.62 -0.7076 -0.9705 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E18 mock treatment 5.0343 0.084 0.08 4.9315 0.0223 0.02 0.0703 0.8576 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E19 compound treatment 2.5665 -2.38 -2.26 2.2577 -2.65 -2.37 -3.2684 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E20 compound treatment 3.646 -1.3 -1.23 3.7807 -1.13 -1.01 -1.585 -0.9949 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E21 compound treatment 1.5657 -3.38 -3.2 1.541 -3.37 -3.01 -4.3904 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E22 compound treatment 3.5292 -1.42 -1.35 3.789 -1.12 -1.0 -1.6579 -0.9893 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E23 compound treatment 1.1123 -3.84 -3.63 1.3787 -3.53 -3.15 -4.7963 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 E24 compound treatment 2.7462 -2.2 -2.09 3.3087 -1.6 -1.43 -2.485 -0.9829 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F01 mock treatment 4.0684 -0.882 -0.83 4.9802 0.0709 0.06 -0.5455 -0.6516 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F02 mock treatment 4.6279 -0.322 -0.31 5.8609 0.952 0.85 0.3846 0.4263 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F03 compound treatment 3.8326 -1.12 -1.06 3.8296 -1.08 -0.96 -1.4292 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F04 compound treatment 5.8798 0.93 0.88 5.268 0.359 0.32 0.8485 0.9062 3069264 PK04_102104 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F05 compound treatment 1.9369 -3.01 -2.85 1.6168 -3.29 -2.94 -4.0941 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F06 compound treatment 9.9327 4.98 4.72 8.2084 3.3 2.94 5.4164 0.9742 3188498 PK04_102106 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F07 compound treatment 1.6733 -3.28 -3.1 1.845 -3.06 -2.73 -4.1266 -0.998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F08 compound treatment 5.2649 0.315 0.3 5.4824 0.573 0.51 0.5722 0.9669 3069441 PK04_102108 O[C@H](CC=C)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F09 mock treatment 4.463 -0.487 -0.46 5.2619 0.353 0.31 -0.1037 -0.1857 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F10 mock treatment 5.1207 0.17 0.16 4.4706 -0.439 -0.39 -0.1626 -0.3842 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F11 compound treatment 3.3481 -1.6 -1.52 3.8197 -1.09 -0.97 -1.7598 -0.9769 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F12 compound treatment 5.214 0.264 0.25 5.1016 0.192 0.17 0.2979 0.9833 3069270 PK04_102110 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F13 compound treatment 3.2541 -1.7 -1.61 3.2414 -1.67 -1.49 -2.1875 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F14 compound treatment 8.8499 3.9 3.69 9.2284 4.32 3.85 5.3351 0.9998 3188502 PK04_102112 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F15 compound treatment 1.623 -3.33 -3.15 1.7205 -3.19 -2.85 -4.2388 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F16 compound treatment 8.02 3.07 2.91 7.7842 2.87 2.57 3.8685 0.9981 3069312 PK04_102114 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F17 mock treatment 5.5678 0.618 0.58 5.7154 0.806 0.72 0.922 0.9947 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F18 mock treatment 5.1456 0.195 0.18 4.6524 -0.257 -0.23 -0.0313 -0.1063 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F19 compound treatment 2.7949 -2.16 -2.04 3.374 -1.54 -1.37 -2.4112 -0.9812 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F20 compound treatment 5.3155 0.365 0.35 5.598 0.689 0.61 0.679 0.963 3069314 PK04_102116 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F21 compound treatment 3.6082 -1.34 -1.27 3.352 -1.56 -1.39 -1.8807 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F22 compound treatment 4.0432 -0.907 -0.86 5.7661 0.857 0.76 -0.0666 -0.0579 3188625 PK04_102118 O[C@@H](CC=C)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F23 compound treatment 2.6623 -2.29 -2.17 2.6532 -2.26 -2.01 -2.9547 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 F24 compound treatment 5.8613 0.911 0.86 6.3309 1.42 1.27 1.5067 0.9823 3069318 PK04_102120 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G01 compound treatment 4.8192 -0.131 -0.12 4.9516 0.0423 0.04 -0.061 -0.4704 3069320 PK04_102121 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO)nn2)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G02 compound treatment 3.927 -1.02 -0.97 4.5628 -0.346 -0.31 -0.9034 -0.8886 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G03 mock treatment 5.5667 0.617 0.58 4.9368 0.0276 0.02 0.4301 0.7363 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G04 mock treatment 5.7092 0.759 0.72 4.8121 -0.0972 -0.09 0.4467 0.6173 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G05 compound treatment 1.8948 -3.06 -2.89 2.1163 -2.79 -2.49 -3.8071 -0.9972 3069321 PK04_102123 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G06 compound treatment 2.9675 -1.98 -1.88 2.7324 -2.18 -1.94 -2.7005 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G07 compound treatment 2.0408 -2.91 -2.75 2.0068 -2.9 -2.59 -3.7785 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G08 compound treatment 2.9163 -2.03 -1.93 2.6498 -2.26 -2.02 -2.7869 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G09 compound treatment 4.335 -0.615 -0.58 4.8662 -0.0431 -0.04 -0.439 -0.7521 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G10 compound treatment 4.1407 -0.809 -0.77 3.4325 -1.48 -1.32 -1.4735 -0.9667 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G11 compound treatment 1.808 -3.14 -2.97 2.1229 -2.79 -2.49 -3.8611 -0.996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G12 compound treatment 4.2982 -0.652 -0.62 4.4849 -0.424 -0.38 -0.7042 -0.9725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G13 compound treatment 1.9541 -3.0 -2.84 1.9155 -2.99 -2.67 -3.8942 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G14 compound treatment 3.4677 -1.48 -1.4 3.856 -1.05 -0.94 -1.6568 -0.981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G15 compound treatment 2.5724 -2.38 -2.25 2.2704 -2.64 -2.35 -3.2564 -0.9997 3188633 PK04_102133 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G16 compound treatment 2.0713 -2.88 -2.73 1.6408 -3.27 -2.92 -3.989 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G17 compound treatment 1.9484 -3.0 -2.84 2.5008 -2.41 -2.15 -3.5287 -0.9905 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G18 compound treatment 2.2732 -2.68 -2.53 2.422 -2.49 -2.22 -3.361 -0.9978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G19 mock treatment 5.5036 0.553 0.52 5.1751 0.266 0.24 0.5382 0.9358 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G20 mock treatment 4.8219 -0.128 -0.12 4.9315 0.0222 0.02 -0.0718 -0.5838 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G21 compound treatment 3.2542 -1.7 -1.61 2.4496 -2.46 -2.19 -2.687 -0.9882 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G22 compound treatment 2.9317 -2.02 -1.91 2.8349 -2.07 -1.85 -2.6598 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G23 compound treatment 3.1406 -1.81 -1.71 3.3065 -1.6 -1.43 -2.2224 -0.996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 G24 compound treatment 1.4509 -3.5 -3.31 1.3432 -3.57 -3.18 -4.592 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H01 compound treatment 3.6204 -1.33 -1.26 2.9446 -1.96 -1.75 -2.1296 -0.9868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H02 compound treatment 13.962 9.01 8.53 11.9634 7.05 6.29 10.4824 0.9888 3069414 PK04_102142 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H03 mock treatment 5.8862 0.936 0.89 5.0575 0.148 0.13 0.72 0.8037 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H04 mock treatment 6.134 1.18 1.12 5.483 0.574 0.51 1.1543 0.937 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H05 compound treatment 1.5532 -3.4 -3.22 1.7177 -3.19 -2.85 -4.2873 -0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H06 compound treatment 5.4421 0.492 0.47 4.7045 -0.205 -0.18 0.2 0.3999 3188362 PK04_102144 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H07 compound treatment 3.0216 -1.93 -1.83 3.6457 -1.26 -1.13 -2.0881 -0.9732 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H08 compound treatment 11.2154 6.27 5.93 11.0864 6.18 5.51 8.0906 0.9993 3069452 PK04_102146 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H09 compound treatment 1.846 -3.1 -2.94 1.7338 -3.18 -2.83 -4.0812 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H10 compound treatment 7.3492 2.4 2.27 8.1189 3.21 2.86 3.6307 0.9934 3069454 PK04_102148 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H11 compound treatment 4.2794 -0.671 -0.64 4.2609 -0.648 -0.58 -0.8581 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H12 compound treatment 9.907 4.96 4.69 9.7267 4.82 4.3 6.357 0.999 3069456 PK04_102150 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H13 compound treatment 4.721 -0.229 -0.22 4.782 -0.127 -0.11 -0.2337 -0.9543 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H14 compound treatment 10.7892 5.84 5.53 10.1768 5.27 4.7 7.2315 0.9967 3069458 PK04_102152 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H15 compound treatment 3.789 -1.16 -1.1 3.6857 -1.22 -1.09 -1.5491 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H16 compound treatment 8.8646 3.91 3.71 9.9112 5.0 4.46 5.7757 0.9957 3069460 PK04_102154 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H17 compound treatment 2.8274 -2.12 -2.01 3.1842 -1.73 -1.54 -2.5092 -0.9913 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H18 compound treatment 10.0695 5.12 4.85 9.5959 4.69 4.18 6.3833 0.9973 3069461 PK04_102156 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H19 mock treatment 6.9499 2.0 1.89 5.1613 0.252 0.22 1.4975 0.7856 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H20 mock treatment 5.3863 0.436 0.41 5.2846 0.375 0.33 0.5286 0.9946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H21 compound treatment 5.3623 0.412 0.39 4.3465 -0.563 -0.5 -0.0792 -0.1246 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H22 compound treatment 4.8539 -0.0963 -0.09 5.1072 0.198 0.18 0.0604 0.3039 3069504 PK04_102158 O[C@H](CC=C)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H23 compound treatment 3.2132 -1.74 -1.64 2.3866 -2.52 -2.25 -2.7542 -0.9881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 H24 compound treatment 4.5468 -0.403 -0.38 5.0962 0.187 0.17 -0.1521 -0.365 3069401 PK04_102160 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I01 compound treatment 3.1648 -1.79 -1.69 4.5929 -0.316 -0.28 -1.3947 -0.8139 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I02 compound treatment 5.5175 0.567 0.54 5.6009 0.692 0.62 0.816 0.9976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I03 compound treatment 4.9964 0.0461 0.04 4.33 -0.579 -0.52 -0.3346 -0.6451 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I04 compound treatment 1.7637 -3.19 -3.02 2.2611 -2.65 -2.36 -3.8036 -0.9927 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I05 mock treatment 5.0917 0.141 0.13 5.091 0.182 0.16 0.2093 0.9955 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I06 mock treatment 5.9559 1.01 0.95 5.1781 0.269 0.24 0.8427 0.8584 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I07 compound treatment 4.9294 -0.0208 -0.02 4.1585 -0.751 -0.67 -0.4876 -0.7276 3188766 PK04_102165 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I08 compound treatment 3.8346 -1.12 -1.06 4.5788 -0.33 -0.29 -0.9552 -0.8712 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I09 compound treatment 5.2927 0.343 0.32 4.4558 -0.453 -0.4 -0.0568 -0.1096 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I10 compound treatment 2.0726 -2.88 -2.72 2.27 -2.64 -2.35 -3.5912 -0.9974 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I11 compound treatment 3.5086 -1.44 -1.36 2.9791 -1.93 -1.72 -2.1826 -0.9934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I12 compound treatment 3.571 -1.38 -1.31 3.752 -1.16 -1.03 -1.6533 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I13 compound treatment 3.4202 -1.53 -1.45 3.5119 -1.4 -1.25 -1.9057 -0.9972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I14 compound treatment 3.6902 -1.26 -1.19 3.5683 -1.34 -1.2 -1.6894 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I15 compound treatment 3.8303 -1.12 -1.06 4.4 -0.509 -0.45 -1.0709 -0.9285 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I16 compound treatment 2.0791 -2.87 -2.72 2.3786 -2.53 -2.26 -3.5183 -0.9958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I17 compound treatment 1.5495 -3.4 -3.22 1.8437 -3.07 -2.74 -4.2103 -0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I18 compound treatment 3.9223 -1.03 -0.97 4.3498 -0.559 -0.5 -1.041 -0.9519 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I19 compound treatment 4.9392 -0.011 -0.01 4.382 -0.527 -0.47 -0.34 -0.7226 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I20 compound treatment 1.9127 -3.04 -2.88 2.2792 -2.63 -2.35 -3.6924 -0.9949 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I21 mock treatment 4.577 -0.373 -0.35 5.2484 0.339 0.3 -0.0358 -0.077 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I22 mock treatment 4.7534 -0.197 -0.19 5.1072 0.198 0.18 -0.0069 -0.0267 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I23 compound treatment 3.5844 -1.37 -1.29 4.106 -0.803 -0.72 -1.421 -0.9613 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 I24 compound treatment 4.4965 -0.454 -0.43 3.7107 -1.2 -1.07 -1.0599 -0.9197 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J01 compound treatment 4.7712 -0.179 -0.17 4.7956 -0.114 -0.1 -0.1915 -0.9698 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J02 compound treatment 10.9241 5.97 5.65 11.8333 6.92 6.18 8.3669 0.999 3069707 PK04_102182 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J03 compound treatment 4.6799 -0.27 -0.26 5.6819 0.773 0.69 0.3065 0.4168 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J04 compound treatment 7.8529 2.9 2.75 7.4655 2.56 2.28 3.5556 0.9957 3069711 PK04_102184 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J05 mock treatment 5.2056 0.255 0.24 5.4447 0.535 0.48 0.5087 0.9502 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J06 mock treatment 5.2747 0.324 0.31 5.7674 0.858 0.77 0.7586 0.9195 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J07 compound treatment 4.9976 0.0474 0.04 6.1197 1.21 1.08 0.7954 0.7358 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J08 compound treatment 9.2199 4.27 4.04 10.4652 5.56 4.96 6.3631 0.9949 3069714 PK04_102186 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J09 compound treatment 3.9646 -0.986 -0.93 4.2577 -0.652 -0.58 -1.0708 -0.9741 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J10 compound treatment 4.8944 -0.0558 -0.05 5.82 0.911 0.81 0.5373 0.6598 3069716 PK04_102188 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J11 compound treatment 4.4168 -0.533 -0.5 5.2321 0.323 0.29 -0.1534 -0.2639 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J12 compound treatment 8.0686 3.12 2.95 8.0841 3.17 2.83 4.0902 0.9998 3069744 PK04_102190 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J13 compound treatment 3.8367 -1.11 -1.05 3.7046 -1.2 -1.07 -1.5053 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J14 compound treatment 6.8433 1.89 1.79 6.3299 1.42 1.27 2.1634 0.9856 3069746 PK04_102192 OCCOc1ccc(cc1)[C@@H](O)CC=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J15 compound treatment 3.0594 -1.89 -1.79 3.9778 -0.931 -0.83 -1.8532 -0.9391 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J16 compound treatment 9.9845 5.03 4.77 9.9142 5.0 4.47 6.5273 0.9995 3188898 PK04_102194 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J17 compound treatment 3.7441 -1.21 -1.14 3.7487 -1.16 -1.04 -1.5395 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J18 compound treatment 6.5155 1.57 1.48 5.2581 0.349 0.31 1.2678 0.8374 3069504 PK04_102196 O[C@H](CC=C)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J19 compound treatment 3.6182 -1.33 -1.26 3.3464 -1.56 -1.39 -1.8775 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J20 compound treatment 5.9221 0.972 0.92 5.579 0.67 0.6 1.073 0.9782 3069264 PK04_102198 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J21 mock treatment 5.4365 0.486 0.46 4.8523 -0.057 -0.05 0.2895 0.6252 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J22 mock treatment 4.7682 -0.182 -0.17 4.898 -0.0113 -0.01 -0.1289 -0.7471 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J23 compound treatment 4.1842 -0.766 -0.73 3.8647 -1.04 -0.93 -1.1718 -0.9923 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 J24 compound treatment 7.8955 2.95 2.79 8.1566 3.25 2.9 4.0201 0.9998 3188901 PK04_102200 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K01 compound treatment 5.4789 0.529 0.5 6.5 1.59 1.42 1.3574 0.902 3069787 PK04_102201 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(CCO)nn2)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K02 compound treatment 2.1482 -2.8 -2.65 1.7888 -3.12 -2.78 -3.8442 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K03 compound treatment 3.7321 -1.22 -1.15 4.0403 -0.869 -0.78 -1.3635 -0.9813 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K04 compound treatment 4.3815 -0.569 -0.54 4.0565 -0.853 -0.76 -0.9186 -0.9857 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K05 compound treatment 3.7088 -1.24 -1.18 4.0294 -0.88 -0.79 -1.386 -0.9808 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K06 compound treatment 1.7495 -3.2 -3.03 1.8872 -3.02 -2.7 -4.049 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K07 mock treatment 4.9503 1.08E-4 0.0 5.0499 0.141 0.13 0.0888 0.7077 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K08 mock treatment 5.924 0.974 0.92 5.3711 0.462 0.41 0.9432 0.9341 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K09 compound treatment 4.8274 -0.123 -0.12 4.475 -0.434 -0.39 -0.3562 -0.8806 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K10 compound treatment 5.2431 0.293 0.28 4.3229 -0.586 -0.52 -0.1739 -0.2937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K11 compound treatment 2.6254 -2.32 -2.2 2.5444 -2.36 -2.11 -3.0481 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K12 compound treatment 2.667 -2.28 -2.16 2.3907 -2.52 -2.25 -3.1172 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K13 compound treatment 3.6121 -1.34 -1.27 3.9005 -1.01 -0.9 -1.5321 -0.986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K14 compound treatment 3.5231 -1.43 -1.35 3.0092 -1.9 -1.7 -2.154 -0.9937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K15 mock treatment 5.1246 0.174 0.17 5.1562 0.247 0.22 0.2725 0.9898 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K16 mock treatment 4.8669 -0.0834 -0.08 5.4601 0.551 0.49 0.2917 0.5861 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K17 compound treatment 4.1032 -0.847 -0.8 3.3589 -1.55 -1.38 -1.545 -0.9664 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K18 compound treatment 2.138 -2.81 -2.66 2.1026 -2.81 -2.5 -3.653 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K19 compound treatment 5.5312 0.581 0.55 4.3143 -0.595 -0.53 0.0135 0.0176 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K20 compound treatment 4.8302 -0.12 -0.11 3.7734 -1.14 -1.01 -0.7969 -0.7815 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K21 compound treatment 2.6234 -2.33 -2.2 2.6109 -2.3 -2.05 -3.0075 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K22 compound treatment 2.2068 -2.74 -2.6 1.9184 -2.99 -2.67 -3.7231 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K23 mock treatment 4.6999 -0.25 -0.24 4.945 0.0357 0.03 -0.145 -0.6065 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 K24 mock treatment 4.908 -0.0423 -0.04 4.5594 -0.35 -0.31 -0.249 -0.7913 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L01 compound treatment 4.286 -0.664 -0.63 4.0113 -0.898 -0.8 -1.0111 -0.9928 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L02 compound treatment 9.6469 4.7 4.45 9.0846 4.18 3.73 5.7778 0.9961 3189020 PK04_102220 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L03 compound treatment 1.5614 -3.39 -3.21 1.463 -3.45 -3.07 -4.4424 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L04 compound treatment 7.6219 2.67 2.53 8.9358 4.03 3.59 4.3286 0.9852 3069907 PK04_102222 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L05 compound treatment 3.6017 -1.35 -1.28 3.7594 -1.15 -1.03 -1.6281 -0.9941 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L06 compound treatment 5.0783 0.128 0.12 4.4525 -0.457 -0.41 -0.2024 -0.4761 3069909 PK04_102224 C[C@@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L07 mock treatment 5.3252 0.375 0.35 5.4849 0.576 0.51 0.6142 0.9837 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L08 mock treatment 5.816 0.866 0.82 5.0331 0.124 0.11 0.6576 0.7952 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L09 compound treatment 2.2345 -2.72 -2.57 2.6692 -2.24 -2.0 -3.231 -0.9923 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L10 compound treatment 10.7132 5.76 5.46 9.6444 4.74 4.22 6.8448 0.992 3069912 PK04_102226 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L11 compound treatment 1.9399 -3.01 -2.85 2.0058 -2.9 -2.59 -3.8467 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L12 compound treatment 6.2408 1.29 1.22 4.8567 -0.0525 -0.05 0.8307 0.6795 3069746 PK04_102228 OCCOc1ccc(cc1)[C@@H](O)CC=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L13 compound treatment 1.6939 -3.26 -3.08 1.6688 -3.24 -2.89 -4.2239 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L14 compound treatment 5.9739 1.02 0.97 5.6716 0.762 0.68 1.1661 0.985 3069920 PK04_102230 O[C@@H](CC=C)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L15 mock treatment 5.7395 0.789 0.75 5.0798 0.171 0.15 0.6359 0.834 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L16 mock treatment 6.5333 1.58 1.5 5.6545 0.745 0.66 1.5298 0.9331 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L17 compound treatment 5.2164 0.266 0.25 4.5096 -0.4 -0.36 -0.074 -0.1695 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L18 compound treatment 6.8741 1.92 1.82 5.6249 0.716 0.64 1.7392 0.9012 3069953 PK04_102232 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L19 compound treatment 2.3053 -2.64 -2.5 2.417 -2.49 -2.22 -3.3427 -0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L20 compound treatment 4.7846 -0.166 -0.16 5.1066 0.197 0.18 0.0137 0.058 3069956 PK04_102234 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L21 compound treatment 2.0309 -2.92 -2.76 2.0716 -2.84 -2.53 -3.7443 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L22 compound treatment 8.8054 3.86 3.65 8.8802 3.97 3.54 5.0856 0.9999 3069961 PK04_102236 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L23 mock treatment 4.735 -0.215 -0.2 4.2949 -0.614 -0.55 -0.5317 -0.9092 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 L24 mock treatment 4.6462 -0.304 -0.29 4.5147 -0.395 -0.35 -0.4524 -0.995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M01 compound treatment 2.6174 -2.33 -2.21 3.2255 -1.68 -1.5 -2.6238 -0.9824 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M02 compound treatment 2.671 -2.28 -2.16 2.9417 -1.97 -1.76 -2.7669 -0.9948 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M03 compound treatment 2.2498 -2.7 -2.56 2.4598 -2.45 -2.19 -3.3528 -0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M04 compound treatment 4.1167 -0.833 -0.79 4.0293 -0.88 -0.79 -1.113 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M05 compound treatment 2.667 -2.28 -2.16 3.6405 -1.27 -1.13 -2.3287 -0.9545 3069277 PK04_102241 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M06 compound treatment 2.1848 -2.77 -2.62 2.9392 -1.97 -1.76 -3.0939 -0.9812 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M07 compound treatment 4.878 -0.0723 -0.07 4.2234 -0.686 -0.61 -0.481 -0.7813 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M08 compound treatment 2.5671 -2.38 -2.26 2.397 -2.51 -2.24 -3.1801 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M09 mock treatment 4.9679 0.0176 0.02 5.2744 0.365 0.33 0.2422 0.7423 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M10 mock treatment 4.1453 -0.805 -0.76 5.8913 0.982 0.88 0.0807 0.0695 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M11 compound treatment 4.9935 0.0432 0.04 4.7261 -0.183 -0.16 -0.0866 -0.5141 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M12 compound treatment 4.2983 -0.652 -0.62 4.2458 -0.663 -0.59 -0.855 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M13 mock treatment 5.3764 0.426 0.4 4.8757 -0.0335 -0.03 0.2641 0.6529 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M14 mock treatment 5.8148 0.865 0.82 5.3479 0.439 0.39 0.8554 0.943 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M15 compound treatment 3.241 -1.71 -1.62 3.1754 -1.73 -1.55 -2.2379 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M16 compound treatment 2.9797 -1.97 -1.87 3.0769 -1.83 -1.63 -2.475 -0.9978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M17 compound treatment 1.3837 -3.57 -3.38 1.8924 -3.02 -2.69 -4.2905 -0.9937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M18 compound treatment 1.3781 -3.57 -3.38 1.5237 -3.39 -3.02 -4.5269 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M19 compound treatment 2.6221 -2.33 -2.2 2.0673 -2.84 -2.54 -3.3513 -0.9976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M20 compound treatment 3.1217 -1.83 -1.73 3.1751 -1.73 -1.55 -2.3179 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M21 compound treatment 4.6172 -0.333 -0.32 5.4729 0.564 0.5 0.1327 0.2235 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M22 compound treatment 6.0392 1.09 1.03 5.8731 0.964 0.86 1.337 0.9959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M23 compound treatment 3.9486 -1.0 -0.95 3.9167 -0.993 -0.89 -1.2967 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 M24 compound treatment 2.0873 -2.86 -2.71 2.3582 -2.55 -2.28 -3.5257 -0.9962 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N01 compound treatment 3.9277 -1.02 -0.97 4.3344 -0.575 -0.51 -1.0471 -0.9559 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N02 compound treatment 9.5145 4.56 4.32 10.0207 5.11 4.56 6.2798 0.9996 3069379 PK04_102258 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N03 compound treatment 4.1382 -0.812 -0.77 4.2484 -0.661 -0.59 -0.9604 -0.9914 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N04 compound treatment 4.2111 -0.739 -0.7 5.5654 0.656 0.59 -0.0808 -0.0885 3069716 PK04_102260 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N05 compound treatment 2.9844 -1.97 -1.86 3.4079 -1.5 -1.34 -2.263 -0.987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N06 compound treatment 8.3445 3.39 3.21 9.8538 4.94 4.41 5.3914 0.9879 3069417 PK04_102262 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N07 compound treatment 3.9093 -1.04 -0.99 4.3122 -0.597 -0.53 -1.0734 -0.9583 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N08 compound treatment 8.4267 3.48 3.29 9.621 4.71 4.2 5.2996 0.9927 3069421 PK04_102264 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N09 mock treatment 3.9035 -1.05 -0.99 5.4762 0.567 0.51 -0.343 -0.3083 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N10 mock treatment 5.2551 0.305 0.29 4.5052 -0.404 -0.36 -0.0509 -0.1102 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N11 compound treatment 2.5214 -2.43 -2.3 2.8163 -2.09 -1.87 -2.9462 -0.9947 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N12 compound treatment 7.4854 2.54 2.4 6.8938 1.98 1.77 2.9489 0.9888 3069424 PK04_102266 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N13 mock treatment 5.2305 0.28 0.27 4.9062 -0.0031 0.0 0.1856 0.6997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N14 mock treatment 4.6993 -0.251 -0.24 5.1627 0.253 0.23 -0.0081 -0.0246 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N15 compound treatment 2.9981 -1.95 -1.85 2.8413 -2.07 -1.85 -2.6113 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N16 compound treatment 6.3817 1.43 1.36 7.0294 2.12 1.89 2.2957 0.9866 3069404 PK04_102268 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N17 compound treatment 4.414 -0.536 -0.51 4.6102 -0.299 -0.27 -0.5476 -0.9549 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N18 compound treatment 8.3367 3.39 3.21 9.2327 4.32 3.86 4.9943 0.9958 3189269 PK04_102270 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N19 compound treatment 1.9103 -3.04 -2.88 1.7093 -3.2 -2.85 -4.0535 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N20 compound treatment 4.8757 -0.0746 -0.07 5.4273 0.518 0.46 0.2769 0.5922 3069270 PK04_102272 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N21 compound treatment 4.4855 -0.465 -0.44 4.0612 -0.848 -0.76 -0.8461 -0.9667 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N22 compound treatment 8.0762 3.13 2.96 12.2056 7.3 6.51 6.6955 0.9363 3070279 PK04_102274 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N23 compound treatment 3.3761 -1.57 -1.49 3.6565 -1.25 -1.12 -1.844 -0.99 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 N24 compound treatment 5.9067 0.956 0.91 5.801 0.892 0.8 1.2028 0.9979 3189270 PK04_102276 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O01 compound treatment 3.4816 -1.47 -1.39 3.7054 -1.2 -1.07 -1.7426 -0.9919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O02 compound treatment 4.1152 -0.835 -0.79 4.4681 -0.441 -0.39 -0.8372 -0.9482 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O03 compound treatment 3.7437 -1.21 -1.14 5.0722 0.163 0.15 -0.7048 -0.6121 3189272 PK04_102279 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O04 compound treatment 2.6544 -2.3 -2.17 3.0998 -1.81 -1.61 -2.6782 -0.9893 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O05 compound treatment 2.055 -2.9 -2.74 2.2605 -2.65 -2.36 -3.609 -0.9973 3070282 PK04_102281 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O06 compound treatment 2.6639 -2.29 -2.16 3.1255 -1.78 -1.59 -2.6557 -0.9886 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O07 compound treatment 2.4489 -2.5 -2.37 3.2429 -1.67 -1.49 -2.7255 -0.9749 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O08 compound treatment 3.2525 -1.7 -1.61 3.4712 -1.44 -1.28 -2.0436 -0.9938 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O09 compound treatment 1.5041 -3.45 -3.26 1.8503 -3.06 -2.73 -4.2365 -0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O10 compound treatment 1.5101 -3.44 -3.26 1.496 -3.41 -3.05 -4.456 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O11 mock treatment 4.281 -0.669 -0.63 3.8017 -1.11 -0.99 -1.1467 -0.9769 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O12 mock treatment 4.1606 -0.79 -0.75 3.815 -1.09 -0.98 -1.2189 -0.9913 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O13 compound treatment 3.2734 -1.68 -1.59 3.2586 -1.65 -1.47 -2.1638 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O14 compound treatment 4.6262 -0.324 -0.31 4.0856 -0.824 -0.73 -0.7365 -0.9249 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O15 compound treatment 2.8738 -2.08 -1.97 2.8961 -2.01 -1.8 -2.6599 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O16 compound treatment 2.9555 -1.99 -1.89 2.8731 -2.04 -1.82 -2.6197 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O17 compound treatment 3.2808 -1.67 -1.58 3.7607 -1.15 -1.02 -1.842 -0.978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O18 compound treatment 2.8366 -2.11 -2.0 3.2778 -1.63 -1.46 -2.444 -0.9878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O19 compound treatment 2.0944 -2.86 -2.7 2.3295 -2.58 -2.3 -3.5391 -0.9968 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O20 compound treatment 1.2479 -3.7 -3.5 1.2649 -3.64 -3.25 -4.7773 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O21 compound treatment 3.5975 -1.35 -1.28 3.0668 -1.84 -1.64 -2.0678 -0.9924 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O22 compound treatment 3.4387 -1.51 -1.43 3.4376 -1.47 -1.31 -1.9402 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O23 compound treatment 2.5467 -2.4 -2.28 3.0321 -1.88 -1.67 -2.7931 -0.9886 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 O24 compound treatment 1.2991 -3.65 -3.46 1.5321 -3.38 -3.01 -4.5745 -0.9977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P01 compound treatment 1.1191 -3.83 -3.63 1.306 -3.6 -3.21 -4.8375 -0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P02 compound treatment 4.881 -0.0693 -0.07 5.594 0.685 0.61 0.3856 0.6276 3069953 PK04_102300 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P03 compound treatment 3.0312 -1.92 -1.82 3.3208 -1.59 -1.42 -2.2866 -0.9925 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P04 compound treatment 4.1738 -0.776 -0.74 4.3202 -0.589 -0.53 -0.8914 -0.9865 3070290 PK04_102302 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P05 compound treatment 2.8612 -2.09 -1.98 3.8357 -1.07 -0.96 -2.0756 -0.9446 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P06 compound treatment 6.3806 1.43 1.35 6.3073 1.4 1.25 1.8394 0.9992 3069907 PK04_102304 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P07 compound treatment 2.9335 -2.02 -1.91 3.8871 -1.02 -0.91 -1.9947 -0.9428 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P08 compound treatment 4.4111 -0.539 -0.51 4.3601 -0.549 -0.49 -0.7073 -0.9998 3069314 PK04_102306 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P09 compound treatment 2.6821 -2.27 -2.15 3.0263 -1.88 -1.68 -2.7061 -0.9926 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P10 compound treatment 8.5455 3.6 3.4 8.0333 3.12 2.79 4.3774 0.9951 3189396 PK04_102308 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P11 mock treatment 3.8905 -1.06 -1.0 3.8924 -1.02 -0.91 -1.3509 -0.9987 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P12 mock treatment 4.0179 -0.932 -0.88 3.9628 -0.946 -0.84 -1.2212 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P13 compound treatment 2.3985 -2.55 -2.42 2.6495 -2.26 -2.02 -3.1336 -0.996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P14 compound treatment 4.8956 -0.0547 -0.05 5.5584 0.649 0.58 0.373 0.6414 3070292 PK04_102310 OCCOc1ccc(cc1)[C@H](O)CC=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P15 compound treatment 2.9398 -2.01 -1.9 2.9973 -1.91 -1.71 -2.5519 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P16 compound treatment 5.7428 0.793 0.75 5.7626 0.853 0.76 1.0689 1.0 3070292 PK04_102312 OCCOc1ccc(cc1)[C@H](O)CC=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P17 compound treatment 2.7731 -2.18 -2.06 3.2766 -1.63 -1.46 -2.4873 -0.9856 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P18 compound treatment 7.7799 2.83 2.68 8.9734 4.06 3.63 4.458 0.9889 3070294 PK04_102314 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P19 compound treatment 1.1834 -3.77 -3.57 1.3222 -3.59 -3.2 -4.7843 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P20 compound treatment 3.9252 -1.03 -0.97 4.458 -0.451 -0.4 -0.9708 -0.9241 3070290 PK04_102316 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P21 compound treatment 1.9038 -3.05 -2.88 1.8228 -3.09 -2.75 -3.9863 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P22 compound treatment 5.9177 0.967 0.92 6.7987 1.89 1.69 1.8396 0.9589 3070295 PK04_102318 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P23 compound treatment 2.8747 -2.08 -1.96 3.0889 -1.82 -1.62 -2.5377 -0.9955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2102 P24 compound treatment 3.7791 -1.17 -1.11 3.5884 -1.32 -1.18 -1.6172 -0.9995 3414053 PK04_102320 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A01 compound treatment 5.0315 0.289 0.27 5.252 0.295 0.26 0.3798 0.9998 3070297 PK04_103001 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A02 compound treatment 7.6503 2.91 2.75 9.8105 4.85 4.33 5.0085 0.9761 3189402 PK04_103002 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A03 compound treatment 2.7324 -2.01 -1.9 3.127 -1.83 -1.63 -2.4997 -0.9971 3070298 PK04_103003 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A04 compound treatment 4.1836 -0.559 -0.53 3.9781 -0.979 -0.87 -0.9915 -0.9711 3189403 PK04_103004 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A05 compound treatment 5.0247 0.282 0.27 6.3709 1.41 1.26 1.0811 0.8383 3070299 PK04_103005 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A06 compound treatment 8.9272 4.18 3.96 10.332 5.38 4.8 6.1922 0.9955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A07 compound treatment 5.3561 0.614 0.58 5.6021 0.645 0.58 0.8178 1.0 3070300 PK04_103007 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A08 compound treatment 24.7234 20.0 18.91 33.8652 28.9 25.79 31.6121 0.9884 3189405 PK04_103008 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A09 compound treatment 5.2852 0.543 0.51 5.0498 0.0929 0.08 0.422 0.8107 3189406 PK04_103009 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A10 compound treatment 4.7353 -0.00697 -0.01 5.0796 0.123 0.11 0.0728 0.6633 3070355 PK04_103010 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A11 compound treatment 4.7853 0.043 0.04 5.53 0.573 0.51 0.3904 0.761 3189407 PK04_103011 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A12 compound treatment 4.3519 -0.39 -0.37 4.4179 -0.539 -0.48 -0.6013 -0.9915 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A13 mock treatment 5.274 0.532 0.5 5.5276 0.571 0.51 0.716 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A14 mock treatment 4.7567 0.0144 0.01 4.268 -0.689 -0.61 -0.425 -0.6912 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A15 compound treatment 4.2397 -0.503 -0.48 4.0929 -0.864 -0.77 -0.8815 -0.9731 3070356 PK04_103013 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A16 compound treatment 4.1882 -0.554 -0.52 5.0479 0.091 0.08 -0.3134 -0.5906 3189409 PK04_103014 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A17 compound treatment 1.5969 -3.15 -2.98 1.3668 -3.59 -3.2 -4.3703 -0.9993 3070357 PK04_103015 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A18 compound treatment 5.3201 0.578 0.55 4.6304 -0.327 -0.29 0.1808 0.2917 3189410 PK04_103016 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A19 compound treatment 5.3155 0.573 0.54 4.217 -0.74 -0.66 -0.0831 -0.0973 3070358 PK04_103017 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A20 compound treatment 4.3153 -0.427 -0.4 3.8633 -1.09 -0.98 -0.9758 -0.9239 3189411 PK04_103018 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A21 compound treatment 4.4713 -0.271 -0.26 4.5098 -0.447 -0.4 -0.4634 -0.9772 3070359 PK04_103019 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A22 compound treatment 4.4939 -0.248 -0.24 4.8807 -0.0762 -0.07 -0.2144 -0.8757 3189412 PK04_103020 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A23 compound treatment 4.2564 -0.486 -0.46 4.4748 -0.482 -0.43 -0.6294 -0.9994 3070360 PK04_103021 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 A24 compound treatment 2.0468 -2.7 -2.55 2.07 -2.89 -2.58 -3.6255 -1.0 3189413 PK04_103022 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B01 compound treatment 4.4806 -0.262 -0.25 4.8148 -0.142 -0.13 -0.2648 -0.9516 3189525 PK04_103023 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B02 compound treatment 4.8723 0.13 0.12 6.0635 1.11 0.99 0.7852 0.7891 3070361 PK04_103024 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B03 compound treatment 4.5177 -0.225 -0.21 4.7684 -0.189 -0.17 -0.2692 -0.9933 3189526 PK04_103025 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B04 compound treatment 5.3603 0.618 0.59 5.4552 0.498 0.44 0.7281 0.9908 3189527 PK04_103026 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B05 compound treatment 6.4252 1.68 1.59 6.3489 1.39 1.24 2.0046 0.9924 3070362 PK04_103027 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B06 compound treatment 3.761 -0.981 -0.93 4.3196 -0.637 -0.57 -1.0588 -0.9723 3189528 PK04_103028 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B07 compound treatment 7.6068 2.86 2.71 7.3382 2.38 2.12 3.4197 0.9927 3070363 PK04_103029 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B08 compound treatment 4.7475 0.00516 0.0 5.0965 0.14 0.12 0.0916 0.7343 3189529 PK04_103030 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3c5ccc(CO)cc5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B09 compound treatment 3.5671 -1.18 -1.11 4.6461 -0.311 -0.28 -0.9827 -0.8571 3189530 PK04_103031 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B10 compound treatment 5.0366 0.294 0.28 5.0292 0.0723 0.06 0.2426 0.8484 3070364 PK04_103032 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4ccc(CN5CCCC5)cc4)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B11 compound treatment 4.386 -0.356 -0.34 4.2282 -0.729 -0.65 -0.6982 -0.9533 3189531 PK04_103033 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B12 compound treatment 4.7972 0.055 0.05 4.7937 -0.163 -0.15 -0.0662 -0.428 3189532 PK04_103034 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B13 mock treatment 5.1052 0.363 0.34 5.1527 0.196 0.17 0.3665 0.9508 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B14 mock treatment 4.7315 -0.0108 -0.01 6.4632 1.51 1.34 0.943 0.7017 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B15 compound treatment 4.4669 -0.275 -0.26 4.765 -0.192 -0.17 -0.3054 -0.9792 3070365 PK04_103035 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B16 compound treatment 4.2013 -0.541 -0.51 5.0048 0.0479 0.04 -0.3319 -0.6458 3189533 PK04_103036 CC1C=C(CCCO)C/C(=N/P(=O)(Oc2ccccc2)Oc3ccccc3)/N1Cc4cccc(OC(F)(F)F)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B17 compound treatment 4.1937 -0.549 -0.52 5.2852 0.328 0.29 -0.1601 -0.2685 3070366 PK04_103037 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B18 compound treatment 5.0885 0.346 0.33 5.2268 0.27 0.24 0.402 0.9885 3189534 PK04_103038 CN1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B19 compound treatment 5.5641 0.822 0.78 4.7802 -0.177 -0.16 0.4386 0.5526 3189535 PK04_103039 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B20 compound treatment 4.8135 0.0712 0.07 4.9622 0.00535 0.0 0.0511 0.7553 3070367 PK04_103040 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B21 compound treatment 5.095 0.353 0.33 5.4182 0.461 0.41 0.5271 0.9946 3189536 PK04_103041 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B22 compound treatment 6.1322 1.39 1.32 6.0596 1.1 0.98 1.626 0.9897 3189537 PK04_103042 CN1C(=O)C2C(C3C(N(C)C2C=C3c4ccc(CO)cc4)c5cccs5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B23 compound treatment 4.2958 -0.446 -0.42 4.2845 -0.672 -0.6 -0.723 -0.9853 3070368 PK04_103043 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 B24 compound treatment 4.8315 0.0892 0.08 5.2418 0.285 0.25 0.2394 0.894 3189538 PK04_103044 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C01 compound treatment 4.3913 -0.351 -0.33 4.8849 -0.072 -0.06 -0.2804 -0.8285 3070369 PK04_103045 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C02 compound treatment 5.558 0.816 0.77 4.6805 -0.276 -0.25 0.3716 0.4585 3189539 PK04_103046 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C03 compound treatment 3.9587 -0.784 -0.74 4.8048 -0.152 -0.14 -0.6204 -0.8228 3189540 PK04_103047 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C04 compound treatment 4.2288 -0.513 -0.49 4.1533 -0.804 -0.72 -0.8507 -0.9821 3070370 PK04_103048 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C05 compound treatment 5.7355 0.993 0.94 6.6236 1.67 1.49 1.7163 0.9755 3189541 PK04_103049 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C06 compound treatment 4.899 0.157 0.15 4.8977 -0.0591 -0.05 0.0676 0.4293 3189542 PK04_103050 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C07 compound treatment 5.292 0.55 0.52 5.2493 0.292 0.26 0.5524 0.949 3070371 PK04_103051 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C08 compound treatment 3.836 -0.906 -0.86 4.4639 -0.493 -0.44 -0.9177 -0.9518 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C09 compound treatment 5.0549 0.313 0.3 4.5812 -0.376 -0.34 -0.0278 -0.0621 3070372 PK04_103053 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C10 compound treatment 3.9168 -0.825 -0.78 4.3959 -0.561 -0.5 -0.9065 -0.9768 3189544 PK04_103054 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C11 mock treatment 3.9852 -0.757 -0.72 4.9607 0.00385 0.0 -0.5043 -0.7037 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C12 mock treatment 4.7755 0.0332 0.03 4.7062 -0.251 -0.22 -0.1359 -0.6019 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C13 compound treatment 4.6838 -0.0585 -0.06 4.8998 -0.0571 -0.05 -0.0752 -0.9991 3189545 PK04_103055 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C14 compound treatment 4.2949 -0.447 -0.42 4.05 -0.907 -0.81 -0.8716 -0.9544 3189546 PK04_103056 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C15 mock treatment 5.0653 0.323 0.31 4.3534 -0.603 -0.54 -0.1645 -0.2657 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C16 mock treatment 3.9846 -0.758 -0.72 5.5552 0.598 0.53 -0.1297 -0.1451 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C17 compound treatment 1.7481 -2.99 -2.83 1.846 -3.11 -2.78 -3.9668 -0.9999 3070427 PK04_103057 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C18 compound treatment 4.2352 -0.507 -0.48 3.9077 -1.05 -0.94 -1.0014 -0.9519 3189660 PK04_103058 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C19 compound treatment 3.6235 -1.12 -1.06 3.8924 -1.06 -0.95 -1.4205 -0.9985 3070428 PK04_103059 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C20 compound treatment 5.5484 0.806 0.76 5.5408 0.584 0.52 0.9079 0.9827 3189661 PK04_103060 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C21 compound treatment 3.7753 -0.967 -0.92 3.7973 -1.16 -1.03 -1.3788 -0.9981 3189662 PK04_103061 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C22 compound treatment 4.0523 -0.69 -0.65 4.2802 -0.677 -0.6 -0.8887 -0.9992 3070429 PK04_103062 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C23 compound treatment 4.2525 -0.49 -0.46 4.4919 -0.465 -0.41 -0.6212 -0.9985 3189663 PK04_103063 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 C24 compound treatment 4.2137 -0.529 -0.5 3.5735 -1.38 -1.23 -1.2266 -0.921 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D01 compound treatment 3.4289 -1.31 -1.24 2.7477 -2.21 -1.97 -2.2729 -0.9753 3070430 PK04_103065 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D02 compound treatment 4.7318 -0.0105 -0.01 4.2864 -0.67 -0.6 -0.43 -0.7188 3189665 PK04_103066 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5ccc(CN6CCCC6)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D03 compound treatment 3.3327 -1.41 -1.33 3.7139 -1.24 -1.11 -1.7277 -0.9958 3070431 PK04_103067 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D04 compound treatment 4.2834 -0.459 -0.43 4.3393 -0.618 -0.55 -0.6968 -0.9931 3189666 PK04_103068 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D05 compound treatment 6.9102 2.17 2.05 6.6389 1.68 1.5 2.5122 0.9882 3189667 PK04_103069 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D06 compound treatment 5.4578 0.716 0.68 4.751 -0.206 -0.18 0.349 0.4973 3189668 PK04_103070 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D07 compound treatment 6.8124 2.07 1.96 6.8899 1.93 1.72 2.6051 0.998 3070432 PK04_103071 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D08 compound treatment 3.9038 -0.838 -0.79 4.2629 -0.694 -0.62 -0.999 -0.9925 3189669 PK04_103072 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D09 compound treatment 5.2912 0.549 0.52 5.3088 0.352 0.31 0.5894 0.9709 3070433 PK04_103073 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D10 compound treatment 4.0879 -0.654 -0.62 4.216 -0.741 -0.66 -0.9055 -0.9995 3189670 PK04_103074 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D11 mock treatment 4.6617 -0.0806 -0.08 4.201 -0.756 -0.67 -0.5309 -0.7821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D12 mock treatment 4.1579 -0.584 -0.55 4.1516 -0.805 -0.72 -0.8992 -0.9917 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D13 compound treatment 3.5269 -1.22 -1.15 3.8237 -1.13 -1.01 -1.5284 -0.9979 3189671 PK04_103075 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D14 compound treatment 4.1574 -0.585 -0.55 4.271 -0.686 -0.61 -0.8242 -0.9987 3070434 PK04_103076 NC(=O)N1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D15 mock treatment 4.8184 0.0761 0.07 4.7945 -0.162 -0.14 -0.0516 -0.3185 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D16 mock treatment 4.2498 -0.493 -0.47 4.2087 -0.748 -0.67 -0.8017 -0.9846 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D17 compound treatment 2.0244 -2.72 -2.57 1.8946 -3.06 -2.73 -3.7512 -0.9995 3189672 PK04_103077 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D18 compound treatment 4.307 -0.435 -0.41 3.8033 -1.15 -1.03 -1.0192 -0.9193 3189673 PK04_103078 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D19 compound treatment 3.7292 -1.01 -0.96 4.719 -0.238 -0.21 -0.8282 -0.8432 3070435 PK04_103079 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D20 compound treatment 4.4577 -0.285 -0.27 4.6403 -0.317 -0.28 -0.3902 -0.9997 3189674 PK04_103080 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)CC2)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D21 compound treatment 4.3682 -0.374 -0.35 4.6382 -0.319 -0.28 -0.4515 -0.9941 3189675 PK04_103081 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D22 compound treatment 3.8999 -0.842 -0.8 3.8357 -1.12 -1.0 -1.2712 -0.9937 3070436 PK04_103082 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D23 compound treatment 4.4481 -0.294 -0.28 4.4881 -0.469 -0.42 -0.4927 -0.9805 3189676 PK04_103083 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 D24 compound treatment 3.9579 -0.784 -0.74 4.3613 -0.596 -0.53 -0.9008 -0.9865 3070437 PK04_103084 CN1CCC(=CC1C2CC2)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E01 mock treatment 4.698 -0.0443 -0.04 5.3184 0.362 0.32 0.1984 0.61 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E02 mock treatment 4.0116 -0.731 -0.69 4.9628 0.00595 0.01 -0.4854 -0.7017 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E03 compound treatment 4.5828 -0.159 -0.15 4.7692 -0.188 -0.17 -0.2252 -0.9987 3189677 PK04_103085 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E04 compound treatment 5.751 1.01 0.95 5.3741 0.417 0.37 0.9384 0.9156 3070438 PK04_103086 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E05 compound treatment 5.2236 0.481 0.46 4.6241 -0.333 -0.3 0.1122 0.2063 3189678 PK04_103087 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E06 compound treatment 5.5115 0.769 0.73 4.3469 -0.61 -0.54 0.13 0.1431 3189679 PK04_103088 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E07 compound treatment 4.627 -0.115 -0.11 4.5057 -0.451 -0.4 -0.3618 -0.8675 3189680 PK04_103089 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E08 compound treatment 4.7464 0.00413 0.0 4.5298 -0.427 -0.38 -0.2667 -0.6998 3070490 PK04_103090 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E09 mock treatment 4.5978 -0.145 -0.14 5.0407 0.0838 0.07 -0.0439 -0.2815 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E10 mock treatment 4.1245 -0.618 -0.58 4.2624 -0.694 -0.62 -0.8516 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E11 compound treatment 4.2776 -0.465 -0.44 3.9978 -0.959 -0.86 -0.9162 -0.9522 3187704 PK04_103091 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E12 compound treatment 4.1864 -0.556 -0.53 4.5849 -0.372 -0.33 -0.6068 -0.9753 3070491 PK04_103092 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E13 compound treatment 5.1389 0.397 0.38 6.337 1.38 1.23 1.1362 0.8826 3187705 PK04_103093 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E14 compound treatment 3.8102 -0.932 -0.88 3.6037 -1.35 -1.21 -1.4776 -0.9881 3187706 PK04_103094 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E15 compound treatment 4.2838 -0.459 -0.43 4.2679 -0.689 -0.61 -0.7416 -0.9855 3070492 PK04_103095 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E16 compound treatment 6.4123 1.67 1.58 5.4974 0.541 0.48 1.4588 0.8827 3187707 PK04_103096 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E17 mock treatment 4.6163 -0.126 -0.12 4.6644 -0.293 -0.26 -0.2689 -0.937 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E18 mock treatment 4.2256 -0.517 -0.49 3.6872 -1.27 -1.13 -1.1468 -0.9295 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E19 compound treatment 4.027 -0.715 -0.68 4.7743 -0.183 -0.16 -0.594 -0.8529 3070493 PK04_103097 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E20 compound treatment 4.5695 -0.173 -0.16 4.9386 -0.0183 -0.02 -0.1272 -0.7739 3187708 PK04_103098 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E21 compound treatment 4.7602 0.0179 0.02 5.3235 0.367 0.33 0.2432 0.7427 3187709 PK04_103099 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E22 compound treatment 4.8164 0.0741 0.07 4.1654 -0.791 -0.71 -0.4497 -0.6337 3070494 PK04_103100 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E23 compound treatment 4.551 -0.191 -0.18 5.226 0.269 0.24 0.0417 0.1388 3187710 PK04_103101 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 E24 compound treatment 5.501 0.759 0.72 4.6992 -0.258 -0.23 0.3453 0.4579 3187711 PK04_103102 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F01 mock treatment 5.052 0.31 0.29 4.487 -0.47 -0.42 -0.0891 -0.1742 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F02 mock treatment 4.6241 -0.118 -0.11 5.7851 0.828 0.74 0.4434 0.5933 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F03 compound treatment 4.9338 0.191 0.18 5.5254 0.569 0.51 0.4868 0.9038 3070495 PK04_103103 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F04 compound treatment 4.6028 -0.139 -0.13 5.0107 0.0538 0.05 -0.0594 -0.4229 3187712 PK04_103104 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4ccc(CN5CCCC5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F05 compound treatment 4.9662 0.224 0.21 4.5929 -0.364 -0.32 -0.0798 -0.2057 3070496 PK04_103105 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F06 compound treatment 5.7114 0.969 0.92 4.8273 -0.13 -0.12 0.5669 0.6131 3187713 PK04_103106 CN1C(C2CC2)C3C4C(C1C=C3c5ccc(CO)cc5)C(=O)N(C(=O)N)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F07 compound treatment 7.1775 2.44 2.31 6.1789 1.22 1.09 2.4009 0.9415 3070497 PK04_103107 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F08 compound treatment 4.9144 0.172 0.16 5.1971 0.24 0.21 0.2667 0.9908 3187714 PK04_103108 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)CC1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F09 mock treatment 5.4301 0.688 0.65 5.2551 0.298 0.27 0.6485 0.9221 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F10 mock treatment 5.239 0.497 0.47 4.9237 -0.0331 -0.03 0.3115 0.6613 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F11 compound treatment 4.298 -0.444 -0.42 4.5476 -0.409 -0.37 -0.5556 -0.9975 3187715 PK04_103109 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F12 compound treatment 4.9765 0.234 0.22 4.9149 -0.042 -0.04 0.1303 0.5795 3070498 PK04_103110 CC1C=C(CCCO)CCN1Cc2cccc(OC(F)(F)F)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F13 compound treatment 2.1253 -2.62 -2.48 2.0966 -2.86 -2.55 -3.5562 -0.9999 3187716 PK04_103111 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F14 compound treatment 6.2086 1.47 1.39 6.0681 1.11 0.99 1.6825 0.9864 3070499 PK04_103112 CN1CCC(=CC1c2cccs2)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F15 compound treatment 6.3206 1.58 1.49 3.9795 -0.977 -0.87 0.4398 0.2543 3187717 PK04_103113 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F16 compound treatment 4.9329 0.191 0.18 4.4478 -0.509 -0.45 -0.1936 -0.3961 3187718 PK04_103114 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F17 mock treatment 4.4462 -0.296 -0.28 4.4933 -0.464 -0.41 -0.4907 -0.982 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F18 mock treatment 4.3321 -0.41 -0.39 4.9853 0.0284 0.03 -0.2566 -0.6595 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F19 compound treatment 4.1487 -0.594 -0.56 4.4433 -0.514 -0.46 -0.7214 -0.9949 3070500 PK04_103115 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F20 compound treatment 4.5584 -0.184 -0.17 4.3988 -0.558 -0.5 -0.4752 -0.9009 3187719 PK04_103116 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)CC1)c4ccc(CN5CCCC5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F21 compound treatment 2.9974 -1.74 -1.65 3.2302 -1.73 -1.54 -2.2573 -0.9994 3070501 PK04_103117 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F22 compound treatment 3.5299 -1.21 -1.15 3.5273 -1.43 -1.28 -1.7135 -0.9986 3187720 PK04_103118 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)CC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F23 compound treatment 3.3645 -1.38 -1.3 3.0403 -1.92 -1.71 -2.1314 -0.9911 3187721 PK04_103119 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 F24 compound treatment 5.4359 0.694 0.66 5.8412 0.884 0.79 1.0221 0.9958 3070502 PK04_103120 CN1C(C2C3C(C1C=C2c4ccc(CO)cc4)C(=O)N(C(=O)N)C3=O)c5cccs5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G01 compound treatment 6.4792 1.74 1.64 5.1503 0.193 0.17 1.2846 0.777 3187722 PK04_103121 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G02 compound treatment 4.8452 0.103 0.1 6.4465 1.49 1.33 1.0086 0.7569 3187723 PK04_103122 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G03 mock treatment 4.9463 0.204 0.19 5.1604 0.203 0.18 0.2649 0.9995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G04 mock treatment 5.2372 0.495 0.47 5.3907 0.434 0.39 0.6049 0.9955 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G05 compound treatment 4.6911 -0.0512 -0.05 5.4488 0.492 0.44 0.276 0.6252 3070503 PK04_103123 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G06 compound treatment 4.9204 0.178 0.17 4.7036 -0.253 -0.23 -0.0406 -0.144 3187724 PK04_103124 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G07 compound treatment 5.1609 0.419 0.4 5.2174 0.26 0.23 0.4445 0.9677 3070504 PK04_103125 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G08 compound treatment 4.2607 -0.482 -0.46 4.269 -0.688 -0.61 -0.7564 -0.9893 3187725 PK04_103126 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G09 compound treatment 4.9384 0.196 0.19 4.6573 -0.3 -0.27 -0.0577 -0.1774 3187726 PK04_103127 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G10 compound treatment 7.3091 2.57 2.43 6.395 1.44 1.28 2.6253 0.9555 3070543 PK04_103128 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G11 compound treatment 5.0021 0.26 0.25 4.7793 -0.178 -0.16 0.0619 0.2114 3187727 PK04_103129 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G12 compound treatment 3.0288 -1.71 -1.62 2.5864 -2.37 -2.11 -2.6424 -0.9914 3187844 PK04_103130 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G13 compound treatment 5.0216 0.279 0.26 5.1242 0.167 0.15 0.2925 0.9634 3070544 PK04_103131 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G14 compound treatment 5.0959 0.354 0.33 6.1603 1.2 1.07 0.9959 0.8855 3187845 PK04_103132 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G15 compound treatment 4.7023 -0.04 -0.04 4.0935 -0.863 -0.77 -0.5715 -0.741 3070545 PK04_103133 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G16 compound treatment 6.3676 1.63 1.54 6.1973 1.24 1.11 1.8705 0.9869 3187846 PK04_103134 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G17 compound treatment 5.3261 0.584 0.55 4.8216 -0.135 -0.12 0.3054 0.54 3070546 PK04_103135 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G18 compound treatment 6.1616 1.42 1.34 6.0793 1.12 1.0 1.6581 0.9895 3187847 PK04_103136 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G19 mock treatment 5.4182 0.676 0.64 5.2159 0.259 0.23 0.6158 0.9052 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G20 mock treatment 5.0618 0.32 0.3 5.0045 0.0476 0.04 0.2439 0.7985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G21 compound treatment 4.8851 0.143 0.14 5.5365 0.58 0.52 0.4613 0.8629 3070547 PK04_103137 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G22 compound treatment 4.0104 -0.732 -0.69 4.4797 -0.477 -0.43 -0.791 -0.9727 3187848 PK04_103138 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G23 compound treatment 4.8768 0.135 0.13 5.0123 0.0554 0.05 0.125 0.9151 3070548 PK04_103139 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 G24 compound treatment 4.397 -0.345 -0.33 4.4934 -0.464 -0.41 -0.5236 -0.9932 3187849 PK04_103140 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H01 compound treatment 4.7079 -0.0344 -0.03 5.2324 0.275 0.25 0.1508 0.6083 3070549 PK04_103141 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H02 compound treatment 5.5086 0.766 0.73 5.105 0.148 0.13 0.6063 0.8224 3187850 PK04_103142 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)CC1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H03 mock treatment 5.0108 0.268 0.25 5.1974 0.24 0.21 0.3314 0.9964 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H04 mock treatment 5.1684 0.426 0.4 5.9326 0.976 0.87 0.9007 0.9389 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H05 compound treatment 5.3026 0.56 0.53 5.1777 0.221 0.2 0.5143 0.9091 3187851 PK04_103143 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H06 compound treatment 5.5783 0.836 0.79 5.2583 0.301 0.27 0.7498 0.897 3187852 PK04_103144 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4ccc(CN5CCCC5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H07 compound treatment 5.5822 0.84 0.8 5.2957 0.339 0.3 0.7759 0.9122 3070550 PK04_103145 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H08 compound treatment 6.9748 2.23 2.11 5.5737 0.617 0.55 1.8835 0.8625 3187853 PK04_103146 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C(=O)N)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H09 compound treatment 5.4132 0.671 0.64 5.2476 0.291 0.26 0.6325 0.922 3070551 PK04_103147 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H10 compound treatment 5.2268 0.485 0.46 4.9425 -0.0144 -0.01 0.3152 0.687 3070552 PK04_103148 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)CC1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H11 compound treatment 4.7239 -0.0184 -0.02 4.8036 -0.153 -0.14 -0.109 -0.7906 3187854 PK04_103149 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H12 compound treatment 5.1373 0.395 0.37 4.7893 -0.168 -0.15 0.1587 0.394 3070553 PK04_103150 CN1CCC(=CC1c2cccs2)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H13 compound treatment 6.8239 2.08 1.97 6.1009 1.14 1.02 2.1151 0.9531 3187855 PK04_103151 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H14 compound treatment 5.2248 0.483 0.46 5.5063 0.549 0.49 0.6696 0.9994 3187856 PK04_103152 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3cccs3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H15 compound treatment 7.1013 2.36 2.23 6.5806 1.62 1.45 2.6034 0.9781 3070554 PK04_103153 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H16 compound treatment 4.655 -0.0873 -0.08 4.8931 -0.0638 -0.06 -0.0987 -0.9833 3187857 PK04_103154 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H17 compound treatment 4.8199 0.0776 0.07 5.252 0.295 0.26 0.2382 0.8711 3187858 PK04_103155 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H18 compound treatment 3.7479 -0.994 -0.94 3.127 -1.83 -1.63 -1.82 -0.9658 3070555 PK04_103156 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)CC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H19 mock treatment 4.8162 0.0739 0.07 4.6789 -0.278 -0.25 -0.1259 -0.4885 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H20 mock treatment 4.9251 0.183 0.17 5.0188 0.0619 0.06 0.1614 0.8885 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H21 compound treatment 4.4494 -0.293 -0.28 5.8139 0.857 0.76 0.3446 0.4237 3187859 PK04_103157 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H22 compound treatment 5.3354 0.593 0.56 5.764 0.807 0.72 0.9062 0.9924 3070556 PK04_103158 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H23 compound treatment 5.2906 0.548 0.52 5.4174 0.461 0.41 0.6576 0.9933 3187860 PK04_103159 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 H24 compound treatment 2.8667 -1.88 -1.78 3.7657 -1.19 -1.06 -2.0069 -0.9699 3070597 PK04_103160 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I01 compound treatment 4.8669 0.125 0.12 5.0826 0.126 0.11 0.1627 0.9997 3187861 PK04_103161 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I02 compound treatment 5.2028 0.461 0.44 6.6038 1.65 1.47 1.3473 0.879 3187862 PK04_103162 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I03 compound treatment 5.6465 0.904 0.86 5.6104 0.653 0.58 1.0175 0.9825 3070598 PK04_103163 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I04 compound treatment 6.851 2.11 2.0 4.881 -0.0759 -0.07 1.3636 0.6827 3187863 PK04_103164 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I05 mock treatment 5.0337 0.291 0.28 4.9059 -0.051 -0.05 0.1629 0.5827 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I06 mock treatment 5.4691 0.727 0.69 5.0201 0.0632 0.06 0.5264 0.7625 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I07 compound treatment 4.739 -0.0033 0.0 5.1586 0.202 0.18 0.125 0.6947 3070599 PK04_103165 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I08 compound treatment 5.7757 1.03 0.98 5.9623 1.01 0.9 1.326 0.9991 3187864 PK04_103166 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I09 compound treatment 5.2923 0.55 0.52 4.5772 -0.38 -0.34 0.1286 0.207 3187865 PK04_103167 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I10 compound treatment 5.0109 0.269 0.25 5.405 0.448 0.4 0.4625 0.9761 3070600 PK04_103168 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I11 compound treatment 5.0012 0.259 0.25 5.0189 0.062 0.06 0.2124 0.8455 3187866 PK04_103169 COCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I12 compound treatment 3.9377 -0.805 -0.76 4.4818 -0.475 -0.42 -0.8383 -0.9617 3187978 PK04_103170 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I13 compound treatment 5.1394 0.397 0.38 4.6464 -0.31 -0.28 0.0699 0.1497 3070601 PK04_103171 CCCCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I14 compound treatment 4.1839 -0.558 -0.53 4.1004 -0.857 -0.76 -0.9141 -0.9838 3187979 PK04_103172 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I15 compound treatment 5.7796 1.04 0.98 5.2172 0.26 0.23 0.8586 0.8509 3070602 PK04_103173 CC(C)C(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I16 compound treatment 3.307 -1.44 -1.36 3.3909 -1.57 -1.4 -1.9487 -0.9999 3187980 PK04_103174 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I17 compound treatment 4.8555 0.113 0.11 5.5675 0.611 0.54 0.461 0.8303 3070603 PK04_103175 COCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I18 compound treatment 5.5911 0.849 0.8 6.0992 1.14 1.02 1.2888 0.9931 3187981 PK04_103176 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I19 compound treatment 4.5972 -0.145 -0.14 3.6093 -1.35 -1.2 -0.9473 -0.7828 3070604 PK04_103177 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I20 compound treatment 5.3885 0.646 0.61 4.8541 -0.103 -0.09 0.3677 0.5945 3187982 PK04_103178 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I21 mock treatment 5.2449 0.503 0.48 4.6569 -0.3 -0.27 0.1472 0.2696 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I22 mock treatment 4.4015 -0.341 -0.32 5.4199 0.463 0.41 0.064 0.1221 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I23 compound treatment 3.8745 -0.868 -0.82 3.7038 -1.25 -1.12 -1.3714 -0.9885 3187983 PK04_103179 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 I24 compound treatment 4.2631 -0.479 -0.45 4.5347 -0.422 -0.38 -0.5871 -0.9957 3070605 PK04_103180 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J01 compound treatment 4.0915 -0.651 -0.62 5.0297 0.0728 0.06 -0.3897 -0.6291 3187984 PK04_103181 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J02 compound treatment 3.4774 -1.26 -1.2 3.3701 -1.59 -1.42 -1.8477 -0.9965 3187985 PK04_103182 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J03 compound treatment 4.9435 0.201 0.19 4.9968 0.0399 0.04 0.1598 0.825 3070606 PK04_103183 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J04 compound treatment 4.9524 0.21 0.2 5.915 0.958 0.85 0.7451 0.8489 3187986 PK04_103184 CN1CCC(=CC1c2ccc(CN3CCCC3)cc2)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J05 mock treatment 4.5081 -0.234 -0.22 6.2146 1.26 1.12 0.6367 0.5566 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J06 mock treatment 5.0628 0.321 0.3 5.362 0.405 0.36 0.4701 0.9962 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J07 compound treatment 6.003 1.26 1.19 5.0402 0.0833 0.07 0.8964 0.7497 3187987 PK04_103185 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J08 compound treatment 5.4467 0.704 0.67 4.7998 -0.157 -0.14 0.3723 0.5465 3070607 PK04_103186 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3ccc(CN4CCCC4)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J09 compound treatment 4.3539 -0.388 -0.37 5.1135 0.157 0.14 -0.1611 -0.4098 3187988 PK04_103187 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J10 compound treatment 3.1663 -1.58 -1.49 3.6822 -1.27 -1.14 -1.859 -0.991 3070608 PK04_103188 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J11 compound treatment 5.046 0.304 0.29 4.7361 -0.221 -0.2 0.0639 0.1835 3187989 PK04_103189 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J12 compound treatment 5.4701 0.728 0.69 5.2407 0.284 0.25 0.6662 0.9076 3070609 PK04_103190 CN1CCC(=CC1C2CC2)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J13 compound treatment 1.9741 -2.77 -2.62 1.9556 -3.0 -2.68 -3.7464 -0.9999 3187990 PK04_103191 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J14 compound treatment 4.1936 -0.549 -0.52 4.7915 -0.165 -0.15 -0.4716 -0.8734 3187991 PK04_103192 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J15 compound treatment 5.4258 0.683 0.65 5.5632 0.606 0.54 0.84 0.996 3070610 PK04_103193 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J16 compound treatment 5.1001 0.358 0.34 4.6016 -0.355 -0.32 0.0154 0.0331 3187992 PK04_103194 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J17 compound treatment 2.7763 -1.97 -1.86 2.8008 -2.16 -1.92 -2.6762 -0.9999 3070654 PK04_103195 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J18 compound treatment 5.3248 0.582 0.55 4.9676 0.0107 0.01 0.3967 0.7193 3187993 PK04_103196 CN1C(C2CC2)C3C4C(C1C=C3CCCO)C(=O)N(C(=O)N)C4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J19 compound treatment 3.7879 -0.954 -0.9 3.8722 -1.08 -0.97 -1.3231 -0.9994 3070655 PK04_103197 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J20 compound treatment 5.7345 0.992 0.94 4.9778 0.0209 0.02 0.6773 0.721 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J21 mock treatment 4.2258 -0.516 -0.49 4.6306 -0.326 -0.29 -0.5515 -0.9693 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J22 mock treatment 4.6991 -0.0432 -0.04 5.0911 0.134 0.12 0.0557 0.4405 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J23 compound treatment 5.3616 0.619 0.59 4.6126 -0.344 -0.31 0.1973 0.2981 3187995 PK04_103199 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 J24 compound treatment 4.5687 -0.174 -0.16 4.7698 -0.187 -0.17 -0.2342 -1.0 3070656 PK04_103200 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)CCCO)C(=O)OCCS(=O)(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K01 compound treatment 5.3308 0.588 0.56 5.479 0.522 0.47 0.7233 0.996 3187996 PK04_103201 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K02 compound treatment 4.8254 0.0831 0.08 5.8327 0.876 0.78 0.6082 0.7744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K03 compound treatment 3.9393 -0.803 -0.76 4.7565 -0.2 -0.18 -0.6639 -0.8502 3070657 PK04_103203 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K04 compound treatment 5.2276 0.485 0.46 5.9346 0.978 0.87 0.9417 0.9552 3187998 PK04_103204 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K05 compound treatment 5.3643 0.622 0.59 5.4442 0.487 0.43 0.7238 0.9889 3070658 PK04_103205 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K06 compound treatment 5.1434 0.401 0.38 5.0 0.0431 0.04 0.2956 0.7748 3187999 PK04_103206 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K07 mock treatment 4.7226 -0.0197 -0.02 5.3392 0.382 0.34 0.228 0.6676 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K08 mock treatment 5.8316 1.09 1.03 6.2003 1.24 1.11 1.5136 0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K09 compound treatment 5.3369 0.595 0.56 5.2358 0.279 0.25 0.5739 0.9326 3188000 PK04_103207 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K10 compound treatment 6.5443 1.8 1.71 7.6215 2.66 2.38 2.8872 0.9867 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K11 compound treatment 4.4267 -0.316 -0.3 3.6903 -1.27 -1.13 -1.0104 -0.8643 3188108 PK04_103209 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K12 compound treatment 6.2972 1.55 1.47 6.5924 1.64 1.46 2.0726 1.0 3188109 PK04_103210 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K13 compound treatment 3.9197 -0.823 -0.78 4.494 -0.463 -0.41 -0.8427 -0.956 3070660 PK04_103211 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K14 compound treatment 4.4197 -0.323 -0.31 5.1464 0.189 0.17 -0.0964 -0.2762 3188110 PK04_103212 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K15 mock treatment 5.1726 0.43 0.41 5.1509 0.194 0.17 0.4104 0.9273 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K16 mock treatment 4.7164 -0.0259 -0.02 4.9166 -0.0403 -0.04 -0.0428 -0.9825 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K17 compound treatment 4.5558 -0.187 -0.18 5.6164 0.66 0.59 0.2912 0.4741 3070661 PK04_103213 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K18 compound treatment 4.7577 0.0154 0.01 4.456 -0.501 -0.45 -0.3057 -0.6836 3188111 PK04_103214 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K19 compound treatment 3.1137 -1.63 -1.54 3.5217 -1.44 -1.28 -1.9955 -0.9957 3188112 PK04_103215 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K20 compound treatment 3.7885 -0.954 -0.9 4.1698 -0.787 -0.7 -1.135 -0.9923 3070662 PK04_103216 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K21 compound treatment 3.6468 -1.1 -1.04 3.4801 -1.48 -1.32 -1.6649 -0.993 3188113 PK04_103217 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K22 compound treatment 6.0036 1.26 1.19 5.0935 0.137 0.12 0.9304 0.7752 3188114 PK04_103218 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K23 mock treatment 4.823 0.0807 0.08 5.3848 0.428 0.38 0.324 0.8321 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 K24 mock treatment 4.5614 -0.181 -0.17 5.0845 0.128 0.11 -0.0406 -0.1973 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L01 compound treatment 5.5852 0.843 0.8 5.9632 1.01 0.9 1.1991 0.9983 3070663 PK04_103219 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L02 compound treatment 3.55 -1.19 -1.13 3.194 -1.76 -1.57 -1.9103 -0.9868 3188115 PK04_103220 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4cccs4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L03 compound treatment 5.3478 0.606 0.57 5.2448 0.288 0.26 0.587 0.9345 3070664 PK04_103221 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L04 compound treatment 4.9798 0.237 0.22 5.3637 0.407 0.36 0.4156 0.9735 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L05 compound treatment 4.7264 -0.0159 -0.02 4.2622 -0.695 -0.62 -0.4489 -0.7241 3070665 PK04_103223 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L06 compound treatment 4.5399 -0.202 -0.19 4.9609 0.00398 0.0 -0.1329 -0.6939 3188117 PK04_103224 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L07 mock treatment 5.0636 0.321 0.3 5.6215 0.665 0.59 0.6343 0.9519 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L08 mock treatment 5.1659 0.424 0.4 5.2766 0.32 0.29 0.4852 0.9861 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L09 compound treatment 4.3886 -0.354 -0.33 5.0921 0.135 0.12 -0.1514 -0.4255 3188118 PK04_103225 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L10 compound treatment 5.2185 0.476 0.45 4.7183 -0.239 -0.21 0.1682 0.3374 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L11 compound treatment 4.4295 -0.313 -0.3 5.3281 0.371 0.33 0.0248 0.0559 3070666 PK04_103227 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L12 compound treatment 4.2404 -0.502 -0.48 5.211 0.254 0.23 -0.1756 -0.3336 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L13 compound treatment 4.12 -0.622 -0.59 4.9291 -0.0278 -0.02 -0.434 -0.7362 3188121 PK04_103229 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L14 compound treatment 4.8813 0.139 0.13 5.3983 0.441 0.39 0.3715 0.8947 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L15 mock treatment 5.7266 0.984 0.93 5.5119 0.555 0.5 1.009 0.9563 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L16 mock treatment 4.4308 -0.311 -0.29 5.9185 0.962 0.86 0.3982 0.4389 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L17 compound treatment 5.1691 0.427 0.4 4.9875 0.0306 0.03 0.305 0.7532 3070709 PK04_103231 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L18 compound treatment 6.6586 1.92 1.81 6.963 2.01 1.79 2.5483 1.0 3188123 PK04_103232 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L19 compound treatment 5.7648 1.02 0.97 4.8448 -0.112 -0.1 0.6137 0.6307 3070710 PK04_103233 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L20 compound treatment 4.0213 -0.721 -0.68 4.0489 -0.908 -0.81 -1.0554 -0.9964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L21 compound treatment 3.9892 -0.753 -0.71 4.8366 -0.12 -0.11 -0.5799 -0.8045 3070711 PK04_103235 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L22 compound treatment 4.1736 -0.569 -0.54 5.1313 0.174 0.16 -0.2706 -0.483 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L23 mock treatment 4.2933 -0.449 -0.42 4.6602 -0.297 -0.26 -0.4877 -0.974 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 L24 mock treatment 4.1671 -0.575 -0.54 5.2554 0.298 0.27 -0.1967 -0.3245 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M01 compound treatment 2.0568 -2.69 -2.54 1.9861 -2.97 -2.65 -3.6718 -0.9998 3070712 PK04_103237 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M02 compound treatment 4.8768 0.135 0.13 5.3172 0.36 0.32 0.3174 0.9178 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M03 compound treatment 3.2483 -1.49 -1.41 3.9494 -1.01 -0.9 -1.6356 -0.9761 3070713 PK04_103239 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M04 compound treatment 7.3208 2.58 2.44 10.2545 5.3 4.73 5.068 0.9527 3188127 PK04_103240 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M05 compound treatment 5.5013 0.759 0.72 4.4826 -0.474 -0.42 0.2088 0.2505 3188128 PK04_103241 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M06 compound treatment 5.8234 1.08 1.02 4.4995 -0.457 -0.41 0.4351 0.3949 3070714 PK04_103242 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M07 compound treatment 4.0231 -0.719 -0.68 4.8046 -0.152 -0.14 -0.5775 -0.8318 3188237 PK04_103243 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M08 compound treatment 4.5644 -0.178 -0.17 5.035 0.0781 0.07 -0.0698 -0.3831 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M09 mock treatment 4.7371 -0.0052 0.0 4.7771 -0.18 -0.16 -0.1169 -0.7285 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M10 mock treatment 4.8308 0.0885 0.08 4.6249 -0.332 -0.3 -0.1502 -0.4879 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M11 compound treatment 2.8365 -1.91 -1.8 3.2224 -1.73 -1.55 -2.3699 -0.9971 3188238 PK04_103245 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M12 compound treatment 3.3179 -1.42 -1.35 3.5071 -1.45 -1.29 -1.8681 -0.9998 3188239 PK04_103246 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M13 mock treatment 5.1658 0.424 0.4 4.9491 -0.00779 -0.01 0.2786 0.6948 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M14 mock treatment 4.685 -0.0573 -0.05 4.8485 -0.108 -0.1 -0.1067 -0.9626 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M15 compound treatment 3.6867 -1.06 -1.0 4.6092 -0.348 -0.31 -0.9259 -0.885 3070716 PK04_103247 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M16 compound treatment 4.9317 0.189 0.18 4.5517 -0.405 -0.36 -0.1288 -0.3193 3188240 PK04_103248 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M17 compound treatment 2.0881 -2.65 -2.51 1.4749 -3.48 -3.11 -3.9733 -0.9945 3070717 PK04_103249 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M18 compound treatment 4.3801 -0.362 -0.34 4.3001 -0.657 -0.59 -0.6568 -0.9674 3188241 PK04_103250 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M19 compound treatment 4.0481 -0.694 -0.66 4.3232 -0.634 -0.57 -0.8645 -0.9972 3188242 PK04_103251 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M20 compound treatment 4.8013 0.0591 0.06 5.1763 0.219 0.2 0.1779 0.8741 3070718 PK04_103252 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M21 compound treatment 4.994 0.252 0.24 4.5448 -0.412 -0.37 -0.0915 -0.2089 3188243 PK04_103253 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M22 compound treatment 4.5757 -0.167 -0.16 6.004 1.05 0.93 0.5491 0.5795 3188244 PK04_103254 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M23 compound treatment 6.2981 1.56 1.47 5.8551 0.898 0.8 1.608 0.9591 3188245 PK04_103255 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 M24 compound treatment 3.9609 -0.781 -0.74 4.7756 -0.181 -0.16 -0.6374 -0.8418 3070768 PK04_103256 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N01 compound treatment 4.2605 -0.482 -0.46 5.5689 0.612 0.55 0.0636 0.0894 3188246 PK04_103257 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N02 compound treatment 4.6505 -0.0918 -0.09 4.2885 -0.668 -0.6 -0.4831 -0.8017 3188247 PK04_103258 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N03 compound treatment 6.0996 1.36 1.28 6.1717 1.21 1.08 1.6749 0.9964 3070772 PK04_103259 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N04 compound treatment 4.4716 -0.271 -0.26 4.4247 -0.532 -0.47 -0.517 -0.9581 3188248 PK04_103260 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N05 compound treatment 4.36 -0.382 -0.36 5.0066 0.0498 0.04 -0.2245 -0.6158 3188249 PK04_103261 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N06 compound treatment 3.3482 -1.39 -1.32 3.1099 -1.85 -1.65 -2.0984 -0.9939 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N07 compound treatment 4.1107 -0.632 -0.6 5.3069 0.35 0.31 -0.2019 -0.2994 3070060 PK04_103263 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N08 compound treatment 4.6591 -0.0832 -0.08 5.3193 0.362 0.32 0.1729 0.5196 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N09 mock treatment 4.6983 -0.044 -0.04 4.7105 -0.246 -0.22 -0.1849 -0.8264 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N10 mock treatment 4.8777 0.135 0.13 4.9381 -0.0188 -0.02 0.0788 0.6096 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N11 compound treatment 4.6154 -0.127 -0.12 6.0486 1.09 0.97 0.6038 0.6152 3070061 PK04_103265 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N12 compound treatment 4.8366 0.0943 0.09 6.2021 1.25 1.11 0.8487 0.7614 3188252 PK04_103266 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N13 mock treatment 5.2397 0.497 0.47 4.79 -0.167 -0.15 0.2277 0.461 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N14 mock treatment 5.0358 0.293 0.28 5.3644 0.408 0.36 0.4535 0.9912 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N15 compound treatment 4.5835 -0.159 -0.15 5.1456 0.189 0.17 0.0128 0.0567 3070062 PK04_103267 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N16 compound treatment 7.1719 2.43 2.3 7.4555 2.5 2.23 3.2026 0.9999 3188253 PK04_103268 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N17 compound treatment 3.3494 -1.39 -1.32 3.8934 -1.06 -0.95 -1.6033 -0.987 3070063 PK04_103269 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N18 compound treatment 5.211 0.469 0.44 4.8174 -0.14 -0.12 0.2257 0.4898 3188254 PK04_103270 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2ccc(CN3CCCC3)cc2)CCCO)C(=O)OCCS(=O)(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N19 compound treatment 4.6474 -0.0949 -0.09 5.1167 0.16 0.14 0.0373 0.2211 3070064 PK04_103271 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N20 compound treatment 5.1754 0.433 0.41 4.695 -0.262 -0.23 0.1247 0.2642 3188255 PK04_103272 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N21 compound treatment 4.6164 -0.126 -0.12 5.3451 0.388 0.35 0.1607 0.4386 3070065 PK04_103273 CCCCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N22 compound treatment 5.259 0.517 0.49 6.9419 1.99 1.77 1.5982 0.8698 3188256 PK04_103274 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2sc3ccccc3c2Cl)c4ccc(CN5CCCC5)cc4)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N23 compound treatment 4.5702 -0.172 -0.16 5.3557 0.399 0.36 0.1364 0.3486 3070066 PK04_103275 CC(C)C(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 N24 compound treatment 4.6 -0.142 -0.13 4.8026 -0.154 -0.14 -0.1926 -0.9999 3188257 PK04_103276 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O01 compound treatment 3.9967 -0.746 -0.71 4.6505 -0.306 -0.27 -0.6923 -0.9148 3188258 PK04_103277 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O02 compound treatment 3.8788 -0.863 -0.82 4.1933 -0.764 -0.68 -1.0597 -0.9959 3070067 PK04_103278 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O03 compound treatment 4.1621 -0.58 -0.55 5.1129 0.156 0.14 -0.2899 -0.5117 3188259 PK04_103279 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O04 compound treatment 3.0579 -1.68 -1.59 4.3515 -0.605 -0.54 -1.5094 -0.8966 3188369 PK04_103280 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O05 compound treatment 4.7441 0.00184 0.0 4.9799 0.023 0.02 0.0158 0.7642 3070068 PK04_103281 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O06 compound treatment 3.6766 -1.07 -1.01 3.8973 -1.06 -0.95 -1.3818 -0.9995 3188370 PK04_103282 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O07 compound treatment 3.8338 -0.909 -0.86 3.727 -1.23 -1.1 -1.384 -0.9927 3070069 PK04_103283 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O08 compound treatment 4.6731 -0.0691 -0.07 3.2397 -1.72 -1.53 -1.1296 -0.7366 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O09 compound treatment 3.3407 -1.4 -1.33 3.7769 -1.18 -1.05 -1.6826 -0.9934 3188372 PK04_103285 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O10 compound treatment 3.4899 -1.25 -1.19 4.7221 -0.235 -0.21 -0.9864 -0.8194 3070070 PK04_103286 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O11 mock treatment 3.7801 -0.962 -0.91 3.8066 -1.15 -1.03 -1.3698 -0.9982 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O12 mock treatment 4.0176 -0.725 -0.69 3.75 -1.21 -1.08 -1.2465 -0.9763 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O13 compound treatment 4.1417 -0.601 -0.57 4.0158 -0.941 -0.84 -0.9957 -0.982 3188373 PK04_103287 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O14 compound treatment 3.7306 -1.01 -0.96 3.9565 -1.0 -0.89 -1.3083 -0.9994 3188374 PK04_103288 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O15 compound treatment 11.8639 7.12 6.74 11.1103 6.15 5.49 8.6489 0.9948 3070071 PK04_103289 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O16 compound treatment 5.4193 0.677 0.64 5.0117 0.0549 0.05 0.4878 0.7589 3188375 PK04_103290 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O17 compound treatment 3.9793 -0.763 -0.72 4.3988 -0.558 -0.5 -0.8628 -0.9835 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O18 compound treatment 1.8889 -2.85 -2.7 1.9841 -2.97 -2.65 -3.7854 -1.0 3188376 PK04_103292 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O19 compound treatment 4.7908 0.0485 0.05 3.8619 -1.09 -0.98 -0.6583 -0.6732 3188377 PK04_103293 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O20 compound treatment 3.8175 -0.925 -0.88 3.3846 -1.57 -1.4 -1.611 -0.9742 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O21 compound treatment 4.6077 -0.135 -0.13 4.3041 -0.653 -0.58 -0.502 -0.8419 3188378 PK04_103295 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O22 compound treatment 12.9335 8.19 7.75 11.5963 6.64 5.92 9.6714 0.9912 3188379 PK04_103296 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O23 compound treatment 3.9134 -0.829 -0.78 4.7303 -0.227 -0.2 -0.6978 -0.8612 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 O24 compound treatment 3.015 -1.73 -1.64 3.3899 -1.57 -1.4 -2.1447 -0.997 3188380 PK04_103298 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P01 compound treatment 3.1293 -1.61 -1.53 3.9626 -0.994 -0.89 -1.7069 -0.9666 3070075 PK04_103299 COCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P02 compound treatment 4.897 0.155 0.15 4.9772 0.0204 0.02 0.1164 0.7888 3188381 PK04_103300 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)c3ccc(CO)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P03 compound treatment 3.154 -1.59 -1.5 3.1606 -1.8 -1.6 -2.1963 -0.9995 3188382 PK04_103301 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P04 compound treatment 3.3997 -1.34 -1.27 4.3054 -0.651 -0.58 -1.3097 -0.9371 3070118 PK04_103302 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P05 compound treatment 3.3374 -1.4 -1.33 3.6921 -1.26 -1.13 -1.7383 -0.9967 3188383 PK04_103303 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P06 compound treatment 3.8517 -0.891 -0.84 4.2065 -0.75 -0.67 -1.0695 -0.9935 3070119 PK04_103304 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cccc(OC(F)(F)F)c3)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P07 compound treatment 4.0147 -0.728 -0.69 3.9815 -0.975 -0.87 -1.1024 -0.9933 3188384 PK04_103305 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P08 compound treatment 3.7619 -0.98 -0.93 4.0184 -0.939 -0.84 -1.2483 -0.9987 3188385 PK04_103306 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3ccc(CN4CCCC4)cc3)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P09 compound treatment 3.1424 -1.6 -1.51 2.7408 -2.22 -1.98 -2.469 -0.9913 3070120 PK04_103307 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P10 compound treatment 4.3703 -0.372 -0.35 4.2059 -0.751 -0.67 -0.7227 -0.9549 3188386 PK04_103308 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P11 mock treatment 3.4515 -1.29 -1.22 3.5076 -1.45 -1.29 -1.7783 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P12 mock treatment 4.12 -0.622 -0.59 3.7454 -1.21 -1.08 -1.1808 -0.9593 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P13 compound treatment 2.8901 -1.85 -1.75 3.5538 -1.4 -1.25 -2.125 -0.9864 3070121 PK04_103309 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P14 compound treatment 3.6102 -1.13 -1.07 4.0593 -0.898 -0.8 -1.3241 -0.9897 3188387 PK04_103310 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P15 compound treatment 3.8538 -0.889 -0.84 4.8991 -0.0578 -0.05 -0.6312 -0.7491 3188388 PK04_103311 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P16 compound treatment 3.3936 -1.35 -1.28 4.5269 -0.43 -0.38 -1.174 -0.8807 3070122 PK04_103312 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2ccc(CN3CCCC3)cc2)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P17 compound treatment 2.45 -2.29 -2.17 2.7947 -2.16 -1.93 -2.8985 -0.9983 3188389 PK04_103313 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P18 compound treatment 2.8089 -1.93 -1.83 2.5478 -2.41 -2.15 -2.8139 -0.9968 3188390 PK04_103314 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P19 compound treatment 1.8164 -2.93 -2.77 1.9811 -2.98 -2.66 -3.8358 -0.9998 3070123 PK04_103315 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P20 compound treatment 4.0811 -0.661 -0.63 3.0747 -1.88 -1.68 -1.63 -0.9095 3188503 PK04_103316 COP(=O)(OC)/N=C\1/CC(=CC(C)N1Cc2cccc(OC(F)(F)F)c2)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P21 compound treatment 3.7096 -1.03 -0.98 4.2893 -0.668 -0.6 -1.1124 -0.9718 3188504 PK04_103317 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P22 compound treatment 3.658 -1.08 -1.03 3.7572 -1.2 -1.07 -1.4827 -0.9998 3070124 PK04_103318 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4ccc(CN5CCCC5)cc4)CCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P23 compound treatment 2.1836 -2.56 -2.42 2.9558 -2.0 -1.79 -2.9751 -0.9887 3188505 PK04_103319 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2103 P24 compound treatment 2.4698 -2.27 -2.15 3.0074 -1.95 -1.74 -2.7509 -0.9944 3188506 PK04_103320 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)c5ccc(CO)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A01 compound treatment 5.3706 0.631 0.6 6.0676 1.14 1.02 1.1414 0.9679 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A02 compound treatment 5.7063 0.967 0.92 5.8787 0.95 0.85 1.2469 0.9993 3188507 PK04_107002 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(o3)c4ccc(Cl)c(Cl)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A03 compound treatment 4.8309 0.0916 0.09 5.9267 0.998 0.89 0.6913 0.7723 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A04 compound treatment 4.4524 -0.287 -0.27 6.0492 1.12 1.0 0.5152 0.4971 3070126 PK04_107004 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A05 compound treatment 5.432 0.693 0.66 5.513 0.585 0.52 0.8326 0.9936 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A06 compound treatment 4.8848 0.146 0.14 5.3536 0.425 0.38 0.3658 0.9059 3070127 PK04_107006 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A07 compound treatment 4.9536 0.214 0.2 6.0836 1.16 1.03 0.8724 0.8304 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A08 compound treatment 5.4718 0.733 0.69 5.8341 0.906 0.81 1.0619 0.9971 3070128 PK04_107008 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3CO[Si](C(C)C)(C(C)C)c31 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A09 compound treatment 5.2325 0.493 0.47 4.7606 -0.168 -0.15 0.2244 0.4577 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A10 compound treatment 5.8694 1.13 1.07 5.6192 0.691 0.62 1.1923 0.9657 3070129 PK04_107010 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C3CC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A11 compound treatment 6.0343 1.3 1.23 5.4636 0.535 0.48 1.2046 0.9156 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A12 compound treatment 5.1382 0.399 0.38 5.3311 0.403 0.36 0.5211 0.9997 3188513 PK04_107012 CCCCCCc1nc(CCCc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)cc4CO[Si](C(C)C)(C(C)C)c41 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A13 mock treatment 5.0076 0.268 0.25 5.4369 0.509 0.45 0.5005 0.9624 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A14 mock treatment 4.547 -0.192 -0.18 6.5254 1.6 1.43 0.879 0.6118 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A15 compound treatment 4.771 0.0317 0.03 5.7393 0.811 0.72 0.5329 0.7358 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A16 compound treatment 4.3595 -0.38 -0.36 5.8594 0.931 0.83 0.3332 0.3681 3188514 PK04_107014 CCCCCCc1nc(c2ccc(o2)c3ccc(Cl)c(Cl)c3)c(C)c4CO[Si](C(C)C)(C(C)C)c41 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A17 compound treatment 5.4225 0.683 0.65 5.5824 0.654 0.58 0.87 0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A18 compound treatment 5.1104 0.371 0.35 5.7782 0.85 0.76 0.7846 0.9388 3070178 PK04_107016 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A19 compound treatment 4.7442 0.0049 0.0 6.2232 1.29 1.16 0.8202 0.7099 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A20 compound treatment 5.111 0.372 0.35 5.0558 0.128 0.11 0.3293 0.8905 3070179 PK04_107018 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A21 compound treatment 4.958 0.219 0.21 5.2101 0.282 0.25 0.3242 0.9953 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A22 compound treatment 4.332 -0.407 -0.39 4.6096 -0.319 -0.28 -0.4736 -0.9888 3070180 PK04_107020 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A23 compound treatment 4.465 -0.274 -0.26 5.3679 0.44 0.39 0.0938 0.1995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 A24 compound treatment 4.3362 -0.403 -0.38 5.1357 0.207 0.19 -0.1389 -0.3276 3070181 PK04_107022 CCCCCCc1nc(C2CC2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B01 compound treatment 5.0585 0.319 0.3 4.7023 -0.226 -0.2 0.0712 0.1959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B02 compound treatment 4.889 0.15 0.14 5.271 0.343 0.31 0.3165 0.9389 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B03 compound treatment 5.4653 0.726 0.69 5.3976 0.469 0.42 0.7821 0.9718 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B04 compound treatment 5.2706 0.531 0.5 4.5887 -0.34 -0.3 0.1414 0.2409 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B05 compound treatment 4.2114 -0.528 -0.5 4.3255 -0.603 -0.54 -0.7336 -0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B06 compound treatment 5.2351 0.496 0.47 4.8778 -0.0504 -0.04 0.3001 0.6365 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B07 compound treatment 4.8664 0.127 0.12 5.2883 0.36 0.32 0.3123 0.9103 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B08 compound treatment 4.1523 -0.587 -0.56 5.3176 0.389 0.35 -0.1472 -0.2246 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B09 compound treatment 4.2721 -0.467 -0.44 4.693 -0.235 -0.21 -0.4611 -0.942 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B10 compound treatment 4.259 -0.48 -0.45 4.5202 -0.408 -0.36 -0.5789 -0.9939 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B11 compound treatment 3.8871 -0.852 -0.81 3.9399 -0.988 -0.88 -1.1939 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B12 compound treatment 4.0279 -0.711 -0.67 4.5593 -0.369 -0.33 -0.7089 -0.9458 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B13 mock treatment 5.5408 0.801 0.76 4.9649 0.0367 0.03 0.5596 0.7369 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B14 mock treatment 4.8449 0.106 0.1 5.649 0.721 0.64 0.5254 0.8073 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B15 compound treatment 4.9675 0.228 0.22 4.3786 -0.55 -0.49 -0.194 -0.362 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B16 compound treatment 1.3897 -3.35 -3.17 1.801 -3.13 -2.79 -4.2149 -0.998 3070186 PK04_107036 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B17 compound treatment 4.23 -0.509 -0.48 4.033 -0.895 -0.8 -0.9057 -0.9708 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B18 compound treatment 3.0949 -1.64 -1.56 3.0227 -1.91 -1.7 -2.3028 -0.999 3188646 PK04_107038 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B19 compound treatment 4.8035 0.0642 0.06 5.722 0.794 0.71 0.5438 0.765 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B20 compound treatment 3.4626 -1.28 -1.21 3.8616 -1.07 -0.95 -1.5275 -0.993 3188647 PK04_107040 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B21 compound treatment 4.1134 -0.626 -0.59 5.2767 0.348 0.31 -0.1991 -0.2975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B22 compound treatment 4.5122 -0.227 -0.21 4.5217 -0.407 -0.36 -0.4085 -0.9688 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B23 compound treatment 4.1952 -0.544 -0.52 4.2671 -0.661 -0.59 -0.7813 -0.9977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 B24 compound treatment 3.4992 -1.24 -1.17 3.6506 -1.28 -1.14 -1.6361 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C01 compound treatment 4.6825 -0.0568 -0.05 5.9934 1.07 0.95 0.634 0.666 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C02 compound treatment 4.5794 -0.16 -0.15 5.4362 0.508 0.45 0.2135 0.4468 3188651 PK04_107046 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C03 compound treatment 4.367 -0.372 -0.35 5.3585 0.43 0.38 0.0223 0.0428 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C04 compound treatment 4.2523 -0.487 -0.46 5.6333 0.705 0.63 0.1188 0.1524 3070235 PK04_107048 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4cc(C)c(OC)c(C)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C05 compound treatment 4.7267 -0.0126 -0.01 4.6266 -0.302 -0.27 -0.1987 -0.7377 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C06 compound treatment 4.1138 -0.626 -0.59 4.6947 -0.234 -0.21 -0.566 -0.9017 3070236 PK04_107050 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(OC)nc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C07 compound treatment 5.0233 0.284 0.27 5.5967 0.668 0.6 0.6118 0.9352 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C08 compound treatment 3.9641 -0.775 -0.73 5.1779 0.25 0.22 -0.3614 -0.4713 3188655 PK04_107052 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3[C@@H](O[Si](C(C)C)(C(C)C)c31)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C09 compound treatment 4.7799 0.0406 0.04 5.3695 0.441 0.39 0.3056 0.7725 3220705 PK04_107053 CCc1oc(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCCC3)c(C(=O)OC)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C10 compound treatment 4.6136 -0.126 -0.12 4.8468 -0.0814 -0.07 -0.1355 -0.9719 3188656 PK04_107054 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C11 mock treatment 4.2924 -0.447 -0.42 4.5282 -0.4 -0.36 -0.5515 -0.9964 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C12 mock treatment 4.6894 -0.0499 -0.05 5.017 0.0888 0.08 0.0226 0.2454 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C13 compound treatment 4.5073 -0.232 -0.22 4.2265 -0.702 -0.63 -0.598 -0.9013 3220708 PK04_107055 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C14 compound treatment 4.136 -0.603 -0.57 4.9915 0.0633 0.06 -0.3639 -0.6341 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C15 mock treatment 5.5674 0.828 0.78 5.0352 0.107 0.1 0.6218 0.7874 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C16 mock treatment 4.4753 -0.264 -0.25 4.8667 -0.0616 -0.05 -0.2156 -0.8424 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C17 compound treatment 4.3484 -0.391 -0.37 4.4986 -0.43 -0.38 -0.5327 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C18 compound treatment 4.5056 -0.234 -0.22 4.6089 -0.319 -0.28 -0.3579 -0.9922 3070242 PK04_107058 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C19 compound treatment 4.5578 -0.181 -0.17 4.2969 -0.631 -0.56 -0.5198 -0.8826 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C20 compound treatment 4.2918 -0.448 -0.42 4.4888 -0.439 -0.39 -0.5767 -0.9992 3070245 PK04_107060 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C21 compound treatment 4.8405 0.101 0.1 3.591 -1.34 -1.19 -0.7759 -0.6482 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C22 compound treatment 4.6239 -0.115 -0.11 4.6111 -0.317 -0.28 -0.2773 -0.9142 3070527 PK04_107062 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C23 compound treatment 4.2365 -0.503 -0.48 4.2969 -0.631 -0.56 -0.7348 -0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 C24 compound treatment 4.266 -0.473 -0.45 3.8009 -1.13 -1.01 -1.028 -0.9337 3070530 PK04_107064 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)C4CC4)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D01 compound treatment 3.7922 -0.947 -0.9 3.152 -1.78 -1.58 -1.7545 -0.9636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D02 compound treatment 3.0547 -1.68 -1.59 2.9687 -1.96 -1.75 -2.3638 -0.9989 3188778 PK04_107066 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D03 compound treatment 3.5845 -1.15 -1.09 3.3506 -1.58 -1.41 -1.7683 -0.9922 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D04 compound treatment 3.3097 -1.43 -1.35 3.4452 -1.48 -1.32 -1.8925 -0.9999 3188779 PK04_107068 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D05 compound treatment 3.4495 -1.29 -1.22 3.5027 -1.43 -1.27 -1.7627 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D06 compound treatment 3.0991 -1.64 -1.55 3.4858 -1.44 -1.29 -2.0078 -0.9957 3070579 PK04_107070 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D07 compound treatment 3.6032 -1.14 -1.08 3.9373 -0.991 -0.88 -1.3855 -0.9953 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D08 compound treatment 3.5945 -1.14 -1.08 3.5167 -1.41 -1.26 -1.6567 -0.9972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D09 compound treatment 3.3804 -1.36 -1.29 3.9962 -0.932 -0.83 -1.4976 -0.9777 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D10 compound treatment 4.1053 -0.634 -0.6 4.4602 -0.468 -0.42 -0.7196 -0.9843 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D11 mock treatment 4.5315 -0.208 -0.2 4.5884 -0.34 -0.3 -0.3535 -0.978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D12 mock treatment 4.497 -0.242 -0.23 4.6498 -0.278 -0.25 -0.3378 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D13 compound treatment 4.6354 -0.104 -0.1 3.757 -1.17 -1.04 -0.8085 -0.7703 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D14 compound treatment 3.9876 -0.752 -0.71 4.3141 -0.614 -0.55 -0.8906 -0.9917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D15 mock treatment 4.3512 -0.388 -0.37 4.6952 -0.233 -0.21 -0.4067 -0.9637 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D16 mock treatment 5.0777 0.338 0.32 4.263 -0.665 -0.59 -0.1932 -0.2864 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D17 compound treatment 4.1215 -0.618 -0.58 4.0754 -0.853 -0.76 -0.9515 -0.9916 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D18 compound treatment 3.869 -0.87 -0.82 4.4674 -0.461 -0.41 -0.8732 -0.9485 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D19 compound treatment 4.1494 -0.59 -0.56 4.2377 -0.69 -0.62 -0.8304 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D20 compound treatment 3.6533 -1.09 -1.03 3.7839 -1.14 -1.02 -1.4488 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D21 compound treatment 3.6822 -1.06 -1.0 4.0866 -0.842 -0.75 -1.2385 -0.99 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D22 compound treatment 3.6016 -1.14 -1.08 3.8327 -1.1 -0.98 -1.4526 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D23 compound treatment 4.334 -0.405 -0.38 3.8028 -1.13 -1.0 -0.9813 -0.9129 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 D24 compound treatment 3.8588 -0.881 -0.83 4.4876 -0.441 -0.39 -0.8674 -0.9412 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E01 mock treatment 4.5622 -0.177 -0.17 5.2843 0.356 0.32 0.1061 0.2953 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E02 mock treatment 4.4123 -0.327 -0.31 5.1239 0.196 0.17 -0.0954 -0.2685 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E03 compound treatment 4.6577 -0.0816 -0.08 5.3043 0.376 0.34 0.1827 0.5306 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E04 compound treatment 4.0789 -0.66 -0.63 4.6039 -0.324 -0.29 -0.6466 -0.9388 3070690 PK04_107086 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C(=C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E05 compound treatment 5.2323 0.493 0.47 5.4732 0.545 0.49 0.6738 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E06 compound treatment 3.68 -1.06 -1.0 4.0461 -0.882 -0.79 -1.2656 -0.9928 3070694 PK04_107088 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E07 compound treatment 4.5403 -0.199 -0.19 5.0094 0.0811 0.07 -0.082 -0.4064 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E08 compound treatment 6.1844 1.45 1.37 5.7987 0.87 0.78 1.5165 0.964 3188910 PK04_107090 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)c5ccc(o5)c6ccc(Cl)c(Cl)c6)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E09 mock treatment 5.1789 0.44 0.42 4.6967 -0.232 -0.21 0.1482 0.3189 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E10 mock treatment 4.4157 -0.324 -0.31 5.1243 0.196 0.17 -0.0929 -0.2633 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E11 compound treatment 5.2328 0.494 0.47 4.8806 -0.0476 -0.04 0.3003 0.6402 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E12 compound treatment 5.1139 0.375 0.35 5.55 0.622 0.55 0.643 0.9766 3070742 PK04_107092 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E13 compound treatment 5.0855 0.346 0.33 4.5509 -0.377 -0.34 -0.0063 -0.0134 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E14 compound treatment 4.4897 -0.25 -0.24 5.4849 0.557 0.5 0.1841 0.3348 3070746 PK04_107094 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E15 compound treatment 4.4706 -0.269 -0.25 4.9576 0.0294 0.03 -0.1613 -0.6308 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E16 compound treatment 4.2414 -0.498 -0.47 5.122 0.194 0.17 -0.211 -0.4204 3070750 PK04_107096 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E17 mock treatment 4.3371 -0.402 -0.38 4.6366 -0.292 -0.26 -0.4532 -0.9828 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E18 mock treatment 4.4778 -0.261 -0.25 4.6543 -0.274 -0.24 -0.3478 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E19 compound treatment 4.7479 0.00857 0.01 4.4951 -0.433 -0.39 -0.2675 -0.6921 3220747 PK04_107097 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCCC2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E20 compound treatment 4.3807 -0.359 -0.34 4.7653 -0.163 -0.15 -0.3428 -0.9284 3188915 PK04_107098 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E21 compound treatment 4.8248 0.0856 0.08 5.1429 0.215 0.19 0.1927 0.9267 3220749 PK04_107099 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCC(C)C)oc(C(=O)Cc2ccccc2)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E22 compound treatment 4.2924 -0.447 -0.42 4.7342 -0.194 -0.17 -0.4215 -0.9223 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E23 compound treatment 4.0838 -0.655 -0.62 4.333 -0.595 -0.53 -0.8142 -0.997 3220751 PK04_107101 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2ccc(OC)cc2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 E24 compound treatment 4.1355 -0.604 -0.57 4.1503 -0.778 -0.69 -0.8949 -0.9953 3070808 PK04_107102 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)c6ccccc6)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F01 mock treatment 4.5049 -0.234 -0.22 4.817 -0.111 -0.1 -0.227 -0.9342 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F02 mock treatment 4.5829 -0.156 -0.15 4.5873 -0.341 -0.3 -0.3198 -0.9453 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F03 compound treatment 4.6299 -0.109 -0.1 4.6102 -0.318 -0.28 -0.2739 -0.9067 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F04 compound treatment 4.1264 -0.613 -0.58 4.261 -0.667 -0.6 -0.8312 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F05 compound treatment 4.6558 -0.0835 -0.08 5.0058 0.0776 0.07 -0.0069 -0.0661 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F06 compound treatment 4.1665 -0.573 -0.54 4.6461 -0.282 -0.25 -0.5614 -0.9391 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F07 compound treatment 4.7506 0.0113 0.01 4.3148 -0.613 -0.55 -0.3794 -0.6932 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F08 compound treatment 4.1878 -0.551 -0.52 5.2239 0.296 0.26 -0.1825 -0.3121 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F09 mock treatment 4.4843 -0.255 -0.24 4.5435 -0.385 -0.34 -0.4134 -0.9852 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F10 mock treatment 4.0504 -0.689 -0.65 5.5131 0.585 0.52 -0.0921 -0.1103 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F11 compound treatment 4.5021 -0.237 -0.22 4.7919 -0.136 -0.12 -0.2447 -0.9585 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F12 compound treatment 4.6934 -0.0459 -0.04 4.5307 -0.398 -0.35 -0.2815 -0.7879 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F13 compound treatment 3.91 -0.829 -0.79 4.5363 -0.392 -0.35 -0.8023 -0.9336 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F14 compound treatment 4.757 0.0177 0.02 4.4362 -0.492 -0.44 -0.2985 -0.6796 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F15 compound treatment 2.1311 -2.61 -2.47 2.1235 -2.8 -2.5 -3.5152 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F16 compound treatment 4.372 -0.367 -0.35 5.0568 0.129 0.11 -0.1647 -0.4499 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F17 mock treatment 4.3445 -0.395 -0.37 4.8543 -0.0739 -0.07 -0.3109 -0.8192 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F18 mock treatment 4.9448 0.206 0.19 4.8654 -0.0628 -0.06 0.0979 0.4838 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F19 compound treatment 3.7347 -1.0 -0.95 3.9619 -0.966 -0.86 -1.2821 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F20 compound treatment 4.4727 -0.267 -0.25 4.7298 -0.198 -0.18 -0.3036 -0.985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F21 compound treatment 3.6143 -1.12 -1.06 3.795 -1.13 -1.01 -1.4679 -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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F22 compound treatment 4.1265 -0.613 -0.58 5.0046 0.0764 0.07 -0.362 -0.6198 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F23 compound treatment 3.77 -0.969 -0.92 3.9922 -0.936 -0.84 -1.2393 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 F24 compound treatment 3.9111 -0.828 -0.78 4.4633 -0.465 -0.41 -0.8477 -0.9557 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G01 compound treatment 5.7765 1.04 0.98 6.1915 1.26 1.13 1.4912 0.9976 3220772 PK04_107121 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCc2c[nH]c3ccccc23)oc(C(=O)Cc4ccccc4)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G02 compound treatment 5.2594 0.52 0.49 5.7052 0.777 0.69 0.8383 0.9859 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G03 mock treatment 4.9395 0.2 0.19 4.5429 -0.385 -0.34 -0.1091 -0.278 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G04 mock treatment 4.3184 -0.421 -0.4 4.8544 -0.0739 -0.07 -0.3283 -0.813 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G05 compound treatment 4.2123 -0.527 -0.5 5.4936 0.565 0.5 0.004 0.0056 3220775 PK04_107123 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2nc[nH]n2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G06 compound treatment 5.1535 0.414 0.39 5.1574 0.229 0.2 0.4218 0.9539 3070081 PK04_107124 CC(C)[Si]1(OCc2c1c(nc(c3ccc(o3)c4ccc(Cl)c(Cl)c4)c2C)c5ccccc5)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G07 compound treatment 5.817 1.08 1.02 5.8906 0.962 0.86 1.3285 0.9963 3189039 PK04_107125 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G08 compound treatment 5.289 0.55 0.52 4.712 -0.216 -0.19 0.2316 0.4173 3189040 PK04_107126 COc1c(C)cc(cc1C)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G09 compound treatment 5.4806 0.741 0.7 6.1743 1.25 1.11 1.2823 0.9754 3070086 PK04_107127 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(CCCNC(=N)N)nn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G10 compound treatment 5.1361 0.397 0.38 5.6201 0.692 0.62 0.7021 0.9716 3189041 PK04_107128 COc1ccc(cn1)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G11 compound treatment 5.0798 0.341 0.32 5.7328 0.805 0.72 0.7355 0.9347 3070089 PK04_107129 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G12 compound treatment 4.8996 0.16 0.15 6.2954 1.37 1.22 0.9698 0.789 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G13 compound treatment 5.6521 0.913 0.86 6.5564 1.63 1.45 1.6381 0.9692 3070134 PK04_107131 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)C3(O)CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G14 compound treatment 5.0522 0.313 0.3 5.1688 0.241 0.21 0.3612 0.9875 3070137 PK04_107132 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G15 compound treatment 6.4567 1.72 1.63 6.5857 1.66 1.48 2.1952 0.9989 3189043 PK04_107133 N[C@@H](Cc1ccccc1)Cn2cc(nn2)C3(O)CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G16 compound treatment 3.8529 -0.886 -0.84 4.7903 -0.138 -0.12 -0.6803 -0.8022 3189044 PK04_107134 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G17 compound treatment 5.0374 0.298 0.28 5.997 1.07 0.95 0.8739 0.8787 3070143 PK04_107135 N[C@@H](Cc1ccccc1)Cn2cc(nn2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G18 compound treatment 4.8426 0.103 0.1 5.1001 0.172 0.15 0.1776 0.9764 3189045 PK04_107136 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)C4CC4)c5ccccc5)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G19 mock treatment 5.2414 0.502 0.48 5.4951 0.567 0.51 0.6937 0.9995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G20 mock treatment 4.9826 0.243 0.23 4.8698 -0.0584 -0.05 0.126 0.5337 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G21 compound treatment 5.0035 0.264 0.25 5.3776 0.449 0.4 0.4603 0.9742 3070191 PK04_107137 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(Cc3ccccc3)nn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G22 compound treatment 5.7689 1.03 0.97 5.4196 0.491 0.44 0.9992 0.9349 3189046 PK04_107138 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G23 compound treatment 4.5903 -0.149 -0.14 5.1384 0.21 0.19 0.0328 0.1399 3070196 PK04_107139 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccn2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 G24 compound treatment 4.6817 -0.0576 -0.05 4.768 -0.16 -0.14 -0.1396 -0.9126 3189047 PK04_107140 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H01 compound treatment 5.1377 0.398 0.38 5.4729 0.545 0.49 0.6103 0.9922 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H02 compound treatment 5.6338 0.895 0.85 5.8916 0.963 0.86 1.2065 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H03 mock treatment 5.2927 0.553 0.52 6.1528 1.22 1.09 1.143 0.9433 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H04 mock treatment 4.9116 0.172 0.16 5.1385 0.21 0.19 0.248 0.9976 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H05 compound treatment 4.3561 -0.383 -0.36 5.3286 0.4 0.36 -0.0039 -0.0076 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H06 compound treatment 5.3808 0.642 0.61 5.3763 0.448 0.4 0.7121 0.9794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H07 compound treatment 4.1844 -0.555 -0.53 4.0263 -0.902 -0.8 -0.9404 -0.9786 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H08 compound treatment 4.7056 -0.0337 -0.03 4.8783 -0.0499 -0.04 -0.054 -0.9866 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H09 compound treatment 4.2015 -0.538 -0.51 4.5293 -0.399 -0.36 -0.6117 -0.9847 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H10 compound treatment 4.5468 -0.193 -0.18 4.6097 -0.319 -0.28 -0.3298 -0.9769 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H11 compound treatment 4.4828 -0.257 -0.24 3.9737 -0.954 -0.85 -0.7739 -0.8739 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H12 compound treatment 5.6582 0.919 0.87 5.8946 0.966 0.86 1.2247 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H13 compound treatment 5.5716 0.832 0.79 5.3539 0.426 0.38 0.8257 0.944 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H14 compound treatment 6.0045 1.27 1.2 4.8809 -0.0474 -0.04 0.817 0.6817 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H15 compound treatment 4.9975 0.258 0.24 5.9337 1.01 0.9 0.8072 0.8681 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H16 compound treatment 4.9787 0.239 0.23 4.4952 -0.433 -0.39 -0.1129 -0.2522 3189164 PK04_107154 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H17 compound treatment 4.4593 -0.28 -0.27 5.5212 0.593 0.53 0.1867 0.3155 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H18 compound treatment 5.1014 0.362 0.34 4.9351 0.00684 0.01 0.2467 0.7196 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H19 mock treatment 4.7564 0.0171 0.02 5.2537 0.326 0.29 0.2168 0.7454 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H20 mock treatment 5.0223 0.283 0.27 4.6721 -0.256 -0.23 0.0279 0.0791 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H21 compound treatment 5.0667 0.327 0.31 4.5554 -0.373 -0.33 -0.0161 -0.0353 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H22 compound treatment 5.2478 0.509 0.48 4.8101 -0.118 -0.11 0.2659 0.5396 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H23 compound treatment 4.9189 0.18 0.17 4.7236 -0.205 -0.18 -0.0089 -0.0355 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 H24 compound treatment 4.0722 -0.667 -0.63 4.9561 0.0279 0.02 -0.4289 -0.6787 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I01 compound treatment 5.7064 0.967 0.92 4.467 -0.461 -0.41 0.3563 0.355 3071179 PK04_107161 CC(C)[C@@H](C(=O)O)n1cc(nn1)C2(O)CCCCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I02 compound treatment 5.444 0.705 0.67 5.6755 0.747 0.67 0.9431 1.0 3189169 PK04_107162 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I03 compound treatment 5.6619 0.923 0.87 5.9098 0.982 0.88 1.2369 1.0 3071180 PK04_107163 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccn3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I04 compound treatment 4.9684 0.229 0.22 5.1775 0.249 0.22 0.3107 0.9999 3189170 PK04_107164 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I05 mock treatment 5.1895 0.45 0.43 5.3466 0.418 0.37 0.5653 0.9978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I06 mock treatment 5.101 0.362 0.34 5.9412 1.01 0.9 0.8812 0.9118 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I07 compound treatment 3.823 -0.916 -0.87 4.0961 -0.832 -0.74 -1.1383 -0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I08 compound treatment 5.677 0.938 0.89 4.7737 -0.155 -0.14 0.5302 0.5902 3189171 PK04_107166 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I09 compound treatment 4.9947 0.255 0.24 4.9192 -0.00903 -0.01 0.1653 0.6832 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I10 compound treatment 4.6432 -0.0961 -0.09 5.2268 0.299 0.27 0.1241 0.4407 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I11 compound treatment 5.3926 0.653 0.62 5.0471 0.119 0.11 0.5123 0.8165 3189173 PK04_107169 NC(=N)NCc1cn(CCc2c[nH]c3ccccc23)nn1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I12 compound treatment 5.0517 0.312 0.3 5.9252 0.997 0.89 0.8381 0.8941 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I13 compound treatment 4.6169 -0.122 -0.12 5.344 0.416 0.37 0.1804 0.4642 3071183 PK04_107171 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@H](Cc4ccccc4)C(=O)N23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I14 compound treatment 4.9626 0.223 0.21 4.25 -0.678 -0.61 -0.2784 -0.4344 3189287 PK04_107172 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I15 compound treatment 2.2977 -2.44 -2.31 2.7276 -2.2 -1.96 -3.0226 -0.9967 3071184 PK04_107173 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@@H](Cc4ccccc4)C(=O)N23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I16 compound treatment 5.2012 0.462 0.44 4.4494 -0.479 -0.43 0.0071 0.0116 3189288 PK04_107174 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I17 compound treatment 5.708 0.969 0.92 6.173 1.24 1.11 1.4337 0.9955 3071185 PK04_107175 COc1ccc(cc1)[C@H]2OC[C@@H]3CC4(CC=CC4)C(=O)N23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I18 compound treatment 4.9107 0.171 0.16 4.5094 -0.419 -0.37 -0.1495 -0.3669 3189289 PK04_107176 COc1cc(Cc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5)cc(OC)c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I19 compound treatment 5.0275 0.288 0.27 4.7084 -0.22 -0.2 0.0543 0.1615 3071186 PK04_107177 COc1ccc(cc1)[C@H]2OC[C@@H]3CCC(=O)N23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I20 compound treatment 4.8911 0.152 0.14 4.422 -0.506 -0.45 -0.2177 -0.4594 3189171 PK04_107178 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I21 mock treatment 4.254 -0.485 -0.46 5.0105 0.0823 0.07 -0.2729 -0.5866 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I22 mock treatment 4.6085 -0.131 -0.12 5.4434 0.515 0.46 0.2375 0.4989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I23 compound treatment 4.1768 -0.562 -0.53 4.7885 -0.14 -0.12 -0.4646 -0.8497 3189290 PK04_107179 COc1ccc(cc1)[C@H]2OC[C@@H]3CC(CC=C)(CC=C)C(=O)N23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 I24 compound treatment 4.4931 -0.246 -0.23 4.0604 -0.868 -0.77 -0.7123 -0.8809 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J01 compound treatment 4.8228 0.0835 0.08 4.2476 -0.681 -0.61 -0.3735 -0.6099 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J02 compound treatment 5.2562 0.517 0.49 4.9738 0.0456 0.04 0.3748 0.7633 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J03 compound treatment 5.5898 0.851 0.81 4.8376 -0.0906 -0.08 0.5122 0.6329 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J04 compound treatment 3.6098 -1.13 -1.07 3.7865 -1.14 -1.02 -1.4763 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J05 mock treatment 4.4773 -0.262 -0.25 5.9471 1.02 0.91 0.4675 0.4961 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J06 mock treatment 4.6662 -0.073 -0.07 5.0946 0.166 0.15 0.0561 0.3424 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J07 compound treatment 5.0604 0.321 0.3 4.7715 -0.157 -0.14 0.1161 0.3469 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J08 compound treatment 4.0075 -0.732 -0.69 4.7747 -0.154 -0.14 -0.5867 -0.8308 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J09 compound treatment 5.0518 0.313 0.3 4.6125 -0.316 -0.28 0.01 0.0244 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J10 compound treatment 5.0837 0.344 0.33 5.8678 0.94 0.84 0.8232 0.9153 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J11 compound treatment 4.167 -0.572 -0.54 5.1465 0.218 0.19 -0.2453 -0.4262 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J12 compound treatment 4.6988 -0.0405 -0.04 5.0873 0.159 0.14 0.0732 0.498 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J13 compound treatment 3.2944 -1.44 -1.37 3.0349 -1.89 -1.69 -2.1616 -0.9945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J14 compound treatment 5.9364 1.2 1.13 4.9339 0.00563 0.01 0.8048 0.7102 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J15 compound treatment 2.9675 -1.77 -1.68 3.7597 -1.17 -1.04 -1.9232 -0.9738 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J16 compound treatment 4.529 -0.21 -0.2 4.2932 -0.635 -0.57 -0.5413 -0.9015 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J17 compound treatment 3.5489 -1.19 -1.13 3.8599 -1.07 -0.95 -1.4708 -0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J18 compound treatment 4.7288 -0.0105 -0.01 4.6857 -0.243 -0.22 -0.16 -0.7388 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J19 compound treatment 4.3157 -0.424 -0.4 4.4416 -0.487 -0.43 -0.5905 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J20 compound treatment 3.9626 -0.777 -0.74 4.0242 -0.904 -0.81 -1.0902 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J21 mock treatment 4.9701 0.231 0.22 4.3204 -0.608 -0.54 -0.2289 -0.3916 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J22 mock treatment 4.9471 0.208 0.2 5.3409 0.413 0.37 0.3995 0.9569 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J23 compound treatment 5.3248 0.586 0.55 4.3878 -0.54 -0.48 0.051 0.0694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 J24 compound treatment 4.0557 -0.684 -0.65 3.7159 -1.21 -1.08 -1.2224 -0.9698 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K01 compound treatment 5.8868 1.15 1.09 4.4695 -0.459 -0.41 0.4787 0.4124 3071252 PK04_107201 COc1cccc(C[C@H]2C[C@@H](CO)NC2=O)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K02 compound treatment 5.0108 0.272 0.26 4.6523 -0.276 -0.25 0.0077 0.0216 3189415 PK04_107202 CCCCCCC#C[Si](O[C@@H](C#C)c1ccccc1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K03 compound treatment 4.3383 -0.401 -0.38 4.8015 -0.127 -0.11 -0.3483 -0.8795 3071253 PK04_107203 COC(=O)c1c(CC[C@@H](CO)NC(=O)N(C)Cc2ccccc2)oc(C(=O)OCC=C)c1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K04 compound treatment 4.23 -0.509 -0.48 4.6383 -0.29 -0.26 -0.5238 -0.9574 3189416 PK04_107204 CCCCCCC#C[Si](OCC#CC)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K05 compound treatment 5.1318 0.393 0.37 4.6458 -0.282 -0.25 0.0845 0.1883 3189417 PK04_107205 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(COC2=O)nn4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K06 compound treatment 5.3616 0.622 0.59 6.0958 1.17 1.04 1.1532 0.9636 3071254 PK04_107206 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccccc2)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K07 mock treatment 5.6591 0.92 0.87 4.4269 -0.501 -0.45 0.2993 0.3058 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K08 mock treatment 5.3872 0.648 0.61 4.7849 -0.143 -0.13 0.3432 0.5479 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K09 compound treatment 4.9436 0.204 0.19 4.7225 -0.206 -0.18 0.007 0.0263 3071255 PK04_107207 NC(=N)NCC#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K10 compound treatment 5.0209 0.282 0.27 5.0873 0.159 0.14 0.2888 0.9564 3189418 PK04_107208 CC#CCO[Si](C#Cc1ccccc1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K11 compound treatment 5.0298 0.291 0.28 5.1563 0.228 0.2 0.3383 0.989 3189419 PK04_107209 OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K12 compound treatment 5.6411 0.902 0.85 4.4425 -0.486 -0.43 0.2972 0.3104 3071256 PK04_107210 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccc(Oc3ccccc3)cc2)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K13 compound treatment 3.8006 -0.939 -0.89 3.8227 -1.11 -0.99 -1.3258 -0.9986 3189420 PK04_107211 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@](Cc4ccccc4)(C(=O)OCC=C)C(=O)N23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K14 compound treatment 4.9076 0.168 0.16 5.3266 0.398 0.36 0.364 0.9344 3071257 PK04_107212 CC[C@@H](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)C#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K15 mock treatment 4.5404 -0.199 -0.19 6.173 1.24 1.11 0.6522 0.579 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K16 mock treatment 5.1459 0.407 0.38 4.9853 0.0571 0.05 0.3082 0.7938 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K17 compound treatment 6.0566 1.32 1.25 5.0176 0.0893 0.08 0.9381 0.7508 1035256 PK04_107213 C#CCNCc1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K18 compound treatment 4.6938 -0.0455 -0.04 5.5812 0.653 0.58 0.3815 0.653 3189421 PK04_107214 CC(C)[Si](Oc1ccccc1Br)(C#CCCCC#N)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K19 compound treatment 4.7386 -6.45E-4 0.0 5.1997 0.272 0.24 0.1709 0.7053 3071258 PK04_107215 CC(C)[C@H](N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K20 compound treatment 4.5055 -0.234 -0.22 5.112 0.184 0.16 -0.0405 -0.1472 3189422 PK04_107216 CC[C@@H](O[Si](C#CCCCC#N)(C(C)C)C(C)C)C#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K21 compound treatment 6.3045 1.57 1.48 5.5351 0.607 0.54 1.4305 0.9068 3189423 PK04_107217 [N-]=[N+]=NC[C@H](Cc1ccccc1)NC(=O)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K22 compound treatment 5.2232 0.484 0.46 5.8739 0.946 0.84 0.9205 0.9588 3071259 PK04_107218 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#Cc4ccccc4)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K23 mock treatment 4.4321 -0.307 -0.29 4.5481 -0.38 -0.34 -0.4454 -0.9971 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 K24 mock treatment 5.092 0.353 0.33 4.3477 -0.58 -0.52 -0.1302 -0.2112 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L01 compound treatment 3.8828 -0.857 -0.81 4.1722 -0.756 -0.67 -1.0503 -0.9958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L02 compound treatment 5.2865 0.547 0.52 5.4149 0.487 0.43 0.6733 0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L03 compound treatment 3.7186 -1.02 -0.97 3.2887 -1.64 -1.46 -1.7176 -0.9797 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L04 compound treatment 4.301 -0.438 -0.41 4.8953 -0.0329 -0.03 -0.3141 -0.7553 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L05 compound treatment 4.0771 -0.662 -0.63 3.5428 -1.39 -1.24 -1.3173 -0.9505 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L06 compound treatment 5.1491 0.41 0.39 4.3183 -0.61 -0.54 -0.1105 -0.1653 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L07 mock treatment 5.4966 0.757 0.72 5.3446 0.416 0.37 0.7696 0.9531 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L08 mock treatment 4.5429 -0.196 -0.19 4.6417 -0.286 -0.26 -0.3122 -0.9878 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L09 compound treatment 3.613 -1.13 -1.07 4.3618 -0.566 -0.51 -1.1112 -0.9418 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L10 compound treatment 3.9587 -0.781 -0.74 4.1476 -0.781 -0.7 -1.015 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L11 compound treatment 2.9383 -1.8 -1.7 3.934 -0.994 -0.89 -1.8327 -0.9537 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L12 compound treatment 3.5105 -1.23 -1.16 3.5536 -1.37 -1.23 -1.6897 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L13 compound treatment 4.2114 -0.528 -0.5 4.652 -0.276 -0.25 -0.5276 -0.9469 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L14 compound treatment 4.2982 -0.441 -0.42 4.9739 0.0457 0.04 -0.2664 -0.635 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L15 mock treatment 4.9179 0.179 0.17 5.0017 0.0735 0.07 0.1659 0.9149 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L16 mock treatment 4.4214 -0.318 -0.3 4.9057 -0.0225 -0.02 -0.227 -0.7527 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L17 compound treatment 5.1053 0.366 0.35 5.134 0.206 0.18 0.3748 0.9559 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L18 compound treatment 2.7479 -1.99 -1.89 2.8856 -2.04 -1.82 -2.6216 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L19 compound treatment 5.1642 0.425 0.4 4.5087 -0.42 -0.37 0.0197 0.0359 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L20 compound treatment 2.791 -1.95 -1.84 3.538 -1.39 -1.24 -2.1812 -0.9814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L21 compound treatment 4.3278 -0.411 -0.39 4.3359 -0.592 -0.53 -0.6491 -0.9887 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L22 compound treatment 4.7456 0.00636 0.01 5.6761 0.748 0.67 0.4761 0.7135 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L23 mock treatment 4.8858 0.147 0.14 5.0327 0.105 0.09 0.164 0.9813 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 L24 mock treatment 4.1916 -0.548 -0.52 5.0131 0.0849 0.08 -0.313 -0.5974 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M01 compound treatment 3.9327 -0.807 -0.76 6.154 1.23 1.09 0.2334 0.175 3189550 PK04_107237 COc1cccc(C[C@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M02 compound treatment 4.6137 -0.126 -0.12 5.1402 0.212 0.19 0.0497 0.2224 3071266 PK04_107238 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCc4ccccc4)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M03 compound treatment 4.0168 -0.722 -0.68 3.8777 -1.05 -0.94 -1.1464 -0.988 3189551 PK04_107239 COc1cccc(C[C@@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M04 compound treatment 5.3147 0.575 0.54 4.5288 -0.399 -0.36 0.1331 0.2045 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M05 compound treatment 4.3344 -0.405 -0.38 4.5128 -0.415 -0.37 -0.533 -0.9999 3071267 PK04_107241 CN(C)S(=O)(=O)NCC#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M06 compound treatment 5.2865 0.547 0.52 4.9102 -0.018 -0.02 0.3549 0.6848 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M07 compound treatment 4.0303 -0.709 -0.67 5.5491 0.621 0.55 -0.0829 -0.0953 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M08 compound treatment 5.0721 0.333 0.32 4.4873 -0.441 -0.39 -0.0554 -0.11 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M09 mock treatment 5.3546 0.615 0.58 4.7037 -0.225 -0.2 0.2702 0.4386 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M10 mock treatment 4.5283 -0.211 -0.2 4.7204 -0.208 -0.19 -0.2723 -0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M11 compound treatment 4.644 -0.0952 -0.09 5.0254 0.0971 0.09 -0.0025 -0.0196 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M12 compound treatment 4.665 -0.0743 -0.07 4.8839 -0.0443 -0.04 -0.0777 -0.963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M13 mock treatment 4.0421 -0.697 -0.66 4.6862 -0.242 -0.22 -0.6193 -0.8919 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M14 mock treatment 5.0117 0.272 0.26 5.3639 0.436 0.39 0.4572 0.9801 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M15 compound treatment 4.3176 -0.422 -0.4 5.6947 0.766 0.68 0.2013 0.2542 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M16 compound treatment 5.4137 0.674 0.64 4.8511 -0.0771 -0.07 0.4027 0.6272 3189557 PK04_107248 CCCC#C[Si](O[C@H](CC)c1cn(Cc2ccccc2)nn1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M17 compound treatment 4.2921 -0.447 -0.42 5.7082 0.78 0.7 0.1928 0.2367 3189558 PK04_107249 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M18 compound treatment 5.116 0.377 0.36 5.9382 1.01 0.9 0.8893 0.9177 3071329 PK04_107250 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M19 compound treatment 4.4698 -0.269 -0.26 4.2538 -0.674 -0.6 -0.6058 -0.927 3189559 PK04_107251 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H]5CCCN5C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M20 compound treatment 5.0123 0.273 0.26 5.2947 0.366 0.33 0.4139 0.9932 3071330 PK04_107252 CCCC#C[Si](O[C@H](CC)c1cn(Cc2cccc(Cl)c2)nn1)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M21 compound treatment 4.8857 0.146 0.14 4.8966 -0.0317 -0.03 0.078 0.5515 3189560 PK04_107253 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H]5CCCN5C2=O)nn4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M22 compound treatment 5.2406 0.501 0.47 4.9301 0.00185 0.0 0.3368 0.7096 3071331 PK04_107254 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](C)c2ccccc2)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M23 compound treatment 3.99 -0.749 -0.71 4.7434 -0.185 -0.16 -0.6181 -0.8488 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 M24 compound treatment 4.451 -0.288 -0.27 4.4511 -0.477 -0.43 -0.4939 -0.9769 3071332 PK04_107256 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N01 compound treatment 4.5339 -0.205 -0.19 4.4614 -0.467 -0.42 -0.432 -0.9398 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N02 compound treatment 4.5773 -0.162 -0.15 5.2155 0.287 0.26 0.0728 0.2439 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N03 compound treatment 4.6098 -0.129 -0.12 4.6103 -0.318 -0.28 -0.2873 -0.9295 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N04 compound treatment 5.145 0.406 0.38 4.6328 -0.295 -0.26 0.0852 0.1828 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N05 compound treatment 5.0801 0.341 0.32 4.7133 -0.215 -0.19 0.0925 0.2465 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N06 compound treatment 4.9264 0.187 0.18 4.2682 -0.66 -0.59 -0.2912 -0.4735 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N07 compound treatment 5.0108 0.271 0.26 4.3221 -0.606 -0.54 -0.2007 -0.3352 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N08 compound treatment 3.4755 -1.26 -1.2 3.5263 -1.4 -1.25 -1.7304 -0.9998 3071335 PK04_107264 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N09 mock treatment 4.4902 -0.249 -0.24 4.9308 0.00253 0.0 -0.1651 -0.7003 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N10 mock treatment 4.7781 0.0388 0.04 4.6238 -0.304 -0.27 -0.1661 -0.606 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N11 compound treatment 4.1588 -0.58 -0.55 4.9857 0.0575 0.05 -0.3522 -0.6383 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N12 compound treatment 4.2341 -0.505 -0.48 3.2812 -1.65 -1.47 -1.3772 -0.8912 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N13 mock treatment 4.8514 0.112 0.11 4.9116 -0.0167 -0.01 0.0645 0.6022 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N14 mock treatment 5.5105 0.771 0.73 4.4596 -0.469 -0.42 0.2206 0.2622 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N15 compound treatment 5.7935 1.05 1.0 5.2151 0.287 0.26 0.8866 0.8606 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N16 compound treatment 5.2513 0.512 0.48 6.205 1.28 1.14 1.1483 0.9275 3189685 PK04_107268 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N17 compound treatment 5.8446 1.11 1.05 4.4569 -0.471 -0.42 0.4425 0.3924 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N18 compound treatment 4.3579 -0.381 -0.36 5.523 0.595 0.53 0.12 0.187 3071337 PK04_107270 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N19 compound treatment 2.7197 -2.02 -1.91 2.702 -2.23 -1.99 -2.7563 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N20 compound treatment 2.1505 -2.59 -2.45 2.2467 -2.68 -2.39 -3.4245 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N21 compound treatment 5.0012 0.262 0.25 4.1962 -0.732 -0.65 -0.2865 -0.4101 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N22 compound treatment 3.9053 -0.834 -0.79 4.0111 -0.917 -0.82 -1.1368 -0.9998 3189689 PK04_107274 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N23 compound treatment 4.6109 -0.128 -0.12 4.2591 -0.669 -0.6 -0.508 -0.8339 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 N24 compound treatment 3.8077 -0.932 -0.88 4.0164 -0.912 -0.81 -1.1988 -0.9992 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O01 compound treatment 4.3243 -0.415 -0.39 4.2023 -0.726 -0.65 -0.7357 -0.9713 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O02 compound treatment 4.4596 -0.28 -0.26 4.6951 -0.233 -0.21 -0.3343 -0.9929 3189692 PK04_107278 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O03 compound treatment 4.1569 -0.582 -0.55 4.6692 -0.259 -0.23 -0.5532 -0.9255 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O04 compound treatment 3.9941 -0.745 -0.71 4.3065 -0.622 -0.55 -0.891 -0.9929 3189693 PK04_107280 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O05 compound treatment 3.9731 -0.766 -0.73 4.175 -0.753 -0.67 -0.9881 -0.9993 3071393 PK04_107281 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cnnn3C[C@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O06 compound treatment 4.342 -0.397 -0.38 4.5056 -0.423 -0.38 -0.5325 -1.0 3189694 PK04_107282 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C(C)C)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O07 compound treatment 4.2997 -0.44 -0.42 4.4362 -0.492 -0.44 -0.6047 -0.9996 3189695 PK04_107283 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O08 compound treatment 2.9984 -1.74 -1.65 3.5093 -1.42 -1.27 -2.0604 -0.9915 3071395 PK04_107284 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O09 compound treatment 4.0294 -0.71 -0.67 3.9113 -1.02 -0.91 -1.1167 -0.9891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O10 compound treatment 5.0072 0.268 0.25 4.1293 -0.799 -0.71 -0.3247 -0.4292 3189697 PK04_107286 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O11 mock treatment 4.1416 -0.598 -0.57 4.3913 -0.537 -0.48 -0.7388 -0.9966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O12 mock treatment 4.0902 -0.649 -0.61 4.2452 -0.683 -0.61 -0.8653 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O13 compound treatment 3.6728 -1.07 -1.01 4.8883 -0.0399 -0.04 -0.739 -0.7316 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O14 compound treatment 3.7595 -0.98 -0.93 4.3248 -0.603 -0.54 -1.0365 -0.9665 3187592 PK04_107288 CC(C)[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O15 compound treatment 3.7722 -0.967 -0.92 3.8493 -1.08 -0.96 -1.328 -0.9997 3187593 PK04_107289 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O16 compound treatment 3.0044 -1.73 -1.64 3.2159 -1.71 -1.53 -2.2415 -0.9993 3071397 PK04_107290 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O17 compound treatment 4.0966 -0.643 -0.61 4.0175 -0.911 -0.81 -1.0047 -0.9898 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O18 compound treatment 3.1542 -1.59 -1.5 3.9759 -0.952 -0.85 -1.6618 -0.9637 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O19 compound treatment 4.0216 -0.718 -0.68 4.1597 -0.769 -0.69 -0.9653 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O20 compound treatment 3.9076 -0.832 -0.79 4.1314 -0.797 -0.71 -1.0594 -0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O21 compound treatment 4.4645 -0.275 -0.26 3.9239 -1.0 -0.9 -0.8175 -0.8762 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O22 compound treatment 3.5407 -1.2 -1.13 4.3987 -0.529 -0.47 -1.1363 -0.9246 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O23 compound treatment 4.3244 -0.415 -0.39 3.7948 -1.13 -1.01 -0.9927 -0.9151 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 O24 compound treatment 3.3286 -1.41 -1.34 3.8317 -1.1 -0.98 -1.636 -0.9883 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P01 compound treatment 3.3004 -1.44 -1.36 4.3089 -0.619 -0.55 -1.3538 -0.9211 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P02 compound treatment 2.7863 -1.95 -1.85 2.9498 -1.98 -1.77 -2.5554 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P03 compound treatment 3.1675 -1.57 -1.49 3.8793 -1.05 -0.94 -1.7138 -0.975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P04 compound treatment 2.5549 -2.18 -2.07 2.3377 -2.59 -2.31 -3.0964 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P05 compound treatment 3.287 -1.45 -1.37 3.6183 -1.31 -1.17 -1.7984 -0.9967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P06 compound treatment 3.9122 -0.827 -0.78 4.4174 -0.511 -0.46 -0.8759 -0.9669 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P07 compound treatment 2.848 -1.89 -1.79 3.3035 -1.62 -1.45 -2.2909 -0.9945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P08 compound treatment 3.6457 -1.09 -1.04 3.5071 -1.42 -1.27 -1.6286 -0.9949 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P09 compound treatment 3.5778 -1.16 -1.1 3.8733 -1.05 -0.94 -1.443 -0.997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P10 compound treatment 2.1723 -2.57 -2.43 2.5049 -2.42 -2.16 -3.2471 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P11 mock treatment 4.1146 -0.625 -0.59 4.2614 -0.667 -0.59 -0.8388 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P12 mock treatment 4.2914 -0.448 -0.42 4.1557 -0.772 -0.69 -0.7872 -0.9728 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P13 compound treatment 3.162 -1.58 -1.49 3.2661 -1.66 -1.48 -2.1043 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P14 compound treatment 2.5851 -2.15 -2.04 3.2512 -1.68 -1.5 -2.4999 -0.9884 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P15 compound treatment 3.6619 -1.08 -1.02 3.972 -0.956 -0.85 -1.3244 -0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P16 compound treatment 2.5698 -2.17 -2.05 3.0898 -1.84 -1.64 -2.612 -0.9938 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P17 compound treatment 3.0961 -1.64 -1.56 3.486 -1.44 -1.29 -2.0098 -0.9956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P18 compound treatment 1.2032 -3.54 -3.35 1.3869 -3.54 -3.16 -4.601 -0.9996 3187608 PK04_107314 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P19 compound treatment 3.3297 -1.41 -1.33 3.1257 -1.8 -1.61 -2.0807 -0.9957 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P20 compound treatment 1.8424 -2.9 -2.74 2.3561 -2.57 -2.29 -3.5617 -0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P21 compound treatment 3.7532 -0.986 -0.93 4.0023 -0.926 -0.83 -1.2442 -0.9981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P22 compound treatment 3.2303 -1.51 -1.43 3.1907 -1.74 -1.55 -2.1062 -0.9992 3187730 PK04_107318 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P23 compound treatment 3.0713 -1.67 -1.58 3.4038 -1.52 -1.36 -2.0782 -0.9972 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2107 P24 compound treatment 1.9645 -2.77 -2.63 2.0464 -2.88 -2.57 -3.6754 -0.9999 3187731 PK04_107320 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A01 compound treatment 1.4398 -3.34 -3.16 1.363 -3.62 -3.23 -4.5238 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A02 compound treatment 3.4542 -1.33 -1.26 3.4946 -1.49 -1.33 -1.8307 -0.9996 3071454 PK04_108002 CCC1=C2CN(Cc3ccccc3Br)[C@@H]([C@@H](O)Cc4ccccc4)C2C=CCC1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A03 compound treatment 2.4428 -2.34 -2.21 2.9059 -2.08 -1.86 -2.879 -0.9962 3187733 PK04_108003 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A04 compound treatment 4.0245 -0.758 -0.72 4.1728 -0.814 -0.73 -1.0211 -1.0 3071455 PK04_108004 CCC1=C2CN(Cc3ccccc3)[C@H](C2C=CCC1)C(=O)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A05 compound treatment 2.5753 -2.21 -2.09 2.2384 -2.75 -2.45 -3.2115 -0.9968 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A06 compound treatment 4.9023 0.12 0.11 4.1541 -0.833 -0.74 -0.4453 -0.5922 3071456 PK04_108006 C/C=C\[C@@H](NCc1ccccc1Br)[C@@H](O)Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A07 compound treatment 5.4883 0.706 0.67 6.725 1.74 1.55 1.5689 0.9292 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A08 compound treatment 6.127 1.34 1.27 5.2518 0.265 0.24 1.067 0.8242 3071457 PK04_108008 CC(=CCN[C@H](CO)c1ccccc1)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A09 compound treatment 6.1749 1.39 1.32 6.005 1.02 0.91 1.5742 0.9835 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A10 compound treatment 4.5218 -0.261 -0.25 5.0193 0.0322 0.03 -0.1541 -0.6207 3071458 PK04_108010 CC(=CCN(CC#C)[C@H](CO)c1ccccc1)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A11 compound treatment 4.4948 -0.288 -0.27 5.8161 0.829 0.74 0.3305 0.4193 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A12 compound treatment 3.9745 -0.808 -0.76 2.9872 -2.0 -1.78 -1.8025 -0.9285 3187737 PK04_108012 CC(=CCN(CC#Cc1ccccc1)[C@H](CO)c2ccccc2)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A13 mock treatment 5.1723 0.39 0.37 4.6575 -0.33 -0.29 0.053 0.1122 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A14 mock treatment 4.6157 -0.167 -0.16 5.8498 0.863 0.77 0.4326 0.5507 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A15 compound treatment 4.7953 0.0129 0.01 5.0852 0.098 0.09 0.0705 0.7978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A16 compound treatment 4.834 0.0516 0.05 4.7034 -0.284 -0.25 -0.1445 -0.5605 3071460 PK04_108014 O=C1OC[C@@H](c2ccccc2)n3cc(/C=C/c4ccccc4)cc13 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A17 compound treatment 5.4087 0.626 0.59 4.8534 -0.134 -0.12 0.3349 0.5537 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A18 compound treatment 3.9149 -0.868 -0.82 3.7067 -1.28 -1.14 -1.3885 -0.9869 3071461 PK04_108016 CC(=C)C/1CN([C@H](CO)c2ccccc2)C(=O)\C1=C/c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A19 compound treatment 5.2303 0.448 0.42 4.5374 -0.45 -0.4 0.0161 0.0275 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A20 compound treatment 6.3355 1.55 1.47 5.2352 0.248 0.22 1.196 0.8045 3071462 PK04_108018 OCC(/C=C/c1ccccc1)N(CC#C)C(C(=O)O)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A21 compound treatment 4.659 -0.123 -0.12 4.5923 -0.395 -0.35 -0.3318 -0.8938 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A22 compound treatment 2.4216 -2.36 -2.23 2.3559 -2.63 -2.35 -3.2402 -0.9997 3071463 PK04_108020 C/C=C/CN([C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)C#Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A23 compound treatment 4.8361 0.0537 0.05 4.5109 -0.476 -0.42 -0.2645 -0.6181 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 A24 compound treatment 4.1602 -0.622 -0.59 4.0155 -0.972 -0.87 -1.0295 -0.9823 3071464 PK04_108022 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B01 compound treatment 4.2044 -0.578 -0.55 4.4311 -0.556 -0.5 -0.7377 -0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B02 compound treatment 8.8457 4.06 3.85 8.0664 3.08 2.75 4.6623 0.9864 3071465 PK04_108024 CCCCNC(=O)c1ccc(C#CC(C)(C)C)c(OC(=O)C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B03 compound treatment 4.1081 -0.674 -0.64 4.3719 -0.615 -0.55 -0.8395 -0.9972 2133224 PK04_108025 CCCCC(=O)N(Cc1ccccc1F)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B04 compound treatment 5.931 1.15 1.09 6.737 1.75 1.56 1.8728 0.9844 1952196 PK04_108026 CCCCNC(=O)c1ccc(C#C[Si](C)(C)C)c(OC(=O)C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B05 compound treatment 1.2203 -3.56 -3.37 1.412 -3.58 -3.19 -4.6398 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B06 compound treatment 4.568 -0.214 -0.2 4.9008 -0.0863 -0.08 -0.198 -0.912 3071510 PK04_108028 CCCCNC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC(=O)C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B07 compound treatment 3.8906 -0.892 -0.84 3.6455 -1.34 -1.2 -1.4434 -0.9854 2128988 PK04_108029 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H]3O[C@@H]32)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B08 compound treatment 5.1762 0.394 0.37 4.3333 -0.654 -0.58 -0.1489 -0.2151 3187870 PK04_108030 COC(=O)C[C@H]1O[C@@H](CCc2ccccc2)[C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B09 compound treatment 4.7075 -0.0749 -0.07 5.3158 0.329 0.29 0.1572 0.521 3187871 PK04_108031 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)N(Cc3ccco3)C(=O)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B10 compound treatment 4.5222 -0.26 -0.25 5.5545 0.567 0.51 0.1837 0.3263 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B11 compound treatment 4.3367 -0.446 -0.42 4.2458 -0.741 -0.66 -0.7661 -0.9764 2129008 PK04_108033 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)NCc3ccc(F)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B12 compound treatment 3.5977 -1.18 -1.12 3.1116 -1.88 -1.67 -1.9762 -0.9811 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B13 mock treatment 6.0256 1.24 1.18 5.7102 0.723 0.65 1.2883 0.9599 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B14 mock treatment 4.7926 0.0102 0.01 5.714 0.727 0.65 0.4653 0.7175 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B15 compound treatment 5.5101 0.728 0.69 5.7461 0.759 0.68 0.9659 1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B16 compound treatment 5.1663 0.384 0.36 5.7521 0.765 0.68 0.7395 0.9565 3414061 PK04_108036 COC(=O)C[C@@H]1C[C@H](C)[C@]2(O1)C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B17 compound treatment 8.2704 3.49 3.3 8.9828 4.0 3.56 4.8554 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B18 compound treatment 5.4665 0.684 0.65 5.1527 0.166 0.15 0.5623 0.8466 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B19 compound treatment 4.1542 -0.628 -0.59 5.4771 0.49 0.44 -0.1114 -0.151 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B20 compound treatment 4.8797 0.0972 0.09 5.4812 0.494 0.44 0.3767 0.8367 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B21 compound treatment 5.4385 0.656 0.62 4.9692 -0.0179 -0.02 0.4278 0.6887 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B22 compound treatment 3.3109 -1.47 -1.39 2.7959 -2.19 -1.96 -2.3674 -0.9862 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B23 compound treatment 3.6028 -1.18 -1.12 4.5775 -0.41 -0.37 -1.048 -0.892 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 B24 compound treatment 3.2805 -1.5 -1.42 3.3007 -1.69 -1.5 -2.0693 -0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C01 compound treatment 3.7418 -1.04 -0.99 3.8889 -1.1 -0.98 -1.3894 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C02 compound treatment 4.2389 -0.544 -0.51 4.7146 -0.273 -0.24 -0.5358 -0.9415 3071464 PK04_108046 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C03 compound treatment 4.9645 0.182 0.17 5.6603 0.673 0.6 0.5466 0.8747 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C04 compound treatment 4.9889 0.206 0.2 4.8303 -0.157 -0.14 0.0392 0.1632 3071517 PK04_108048 CC(=C)C1C(=C)CN([C@H](CO)c2ccccc2)C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C05 compound treatment 4.9901 0.208 0.2 4.7341 -0.253 -0.23 -0.0206 -0.0689 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C06 compound treatment 4.7859 0.00348 0.0 4.9492 -0.038 -0.03 -0.0216 -0.6354 3187880 PK04_108050 CC(C)(C)OC(=O)N(CC#C)[C@H](CO)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C07 compound treatment 4.9869 0.205 0.19 5.1323 0.145 0.13 0.2284 0.9809 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C08 compound treatment 0.9714 -3.81 -3.61 0.9338 -4.05 -3.62 -5.1081 -1.0 3071519 PK04_108052 CC(=CCN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C09 compound treatment 5.0463 0.264 0.25 5.0211 0.0339 0.03 0.198 0.787 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C10 compound treatment 3.8968 -0.886 -0.84 4.6807 -0.306 -0.27 -0.7861 -0.8915 3071520 PK04_108054 OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C11 mock treatment 4.952 0.17 0.16 4.4367 -0.551 -0.49 -0.2338 -0.4524 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C12 mock treatment 4.2306 -0.552 -0.52 4.2106 -0.777 -0.69 -0.8593 -0.9903 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C13 compound treatment 4.4062 -0.376 -0.36 4.5789 -0.408 -0.36 -0.5094 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C14 compound treatment 3.664 -1.12 -1.06 4.1611 -0.826 -0.74 -1.2698 -0.9843 3071521 PK04_108056 CC(C)(C)[Si](C)(C)OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C15 mock treatment 4.2886 -0.494 -0.47 4.0756 -0.912 -0.81 -0.9057 -0.9654 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C16 mock treatment 4.4176 -0.365 -0.35 4.3079 -0.679 -0.61 -0.6728 -0.9644 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C17 compound treatment 4.549 -0.233 -0.22 4.0346 -0.953 -0.85 -0.7572 -0.8623 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C18 compound treatment 4.5763 -0.206 -0.2 4.1927 -0.794 -0.71 -0.6391 -0.8694 3071522 PK04_108058 O=C1OC[C@H](N2CC(=CC21)/C=C/c3ccccc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C19 compound treatment 4.0892 -0.693 -0.66 4.0301 -0.957 -0.85 -1.0678 -0.9915 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C20 compound treatment 3.3628 -1.42 -1.34 3.5986 -1.39 -1.24 -1.8262 -0.9992 3071523 PK04_108060 OCC(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C21 compound treatment 4.584 -0.198 -0.19 4.8645 -0.123 -0.11 -0.2102 -0.9669 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C22 compound treatment 3.3609 -1.42 -1.35 3.6434 -1.34 -1.2 -1.7992 -0.9983 3071524 PK04_108062 OCC1C=C(CN1Cc2ccccc2Br)/C=C/c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C23 compound treatment 3.9331 -0.849 -0.8 4.4916 -0.496 -0.44 -0.8811 -0.9603 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 C24 compound treatment 3.2854 -1.5 -1.42 3.767 -1.22 -1.09 -1.7719 -0.9915 3071525 PK04_108064 CCOC(=O)C1OC[C@H](N1CC#C)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D01 compound treatment 6.3215 1.54 1.46 5.7211 0.734 0.65 1.4932 0.9348 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D02 compound treatment 3.1842 -1.6 -1.51 3.3364 -1.65 -1.47 -2.1112 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D03 compound treatment 4.4226 -0.36 -0.34 4.8966 -0.0905 -0.08 -0.298 -0.8512 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D04 compound treatment 4.0053 -0.777 -0.74 4.0992 -0.888 -0.79 -1.0804 -0.9993 3071527 PK04_108068 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D05 compound treatment 4.7065 -0.0759 -0.07 4.2161 -0.771 -0.69 -0.5373 -0.7767 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D06 compound treatment 4.1681 -0.614 -0.58 4.7022 -0.285 -0.25 -0.591 -0.9312 3071528 PK04_108070 CCOC(=O)[C@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@@H]2O[Si](C)(C)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D07 compound treatment 5.9012 1.12 1.06 5.8322 0.845 0.75 1.282 0.9861 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D08 compound treatment 4.2345 -0.548 -0.52 5.0862 0.099 0.09 -0.3043 -0.5784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D09 compound treatment 4.2558 -0.527 -0.5 5.5022 0.515 0.46 -0.0275 -0.0406 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D10 compound treatment 4.3808 -0.402 -0.38 5.1217 0.135 0.12 -0.184 -0.4614 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D11 mock treatment 4.6197 -0.163 -0.15 5.5782 0.591 0.53 0.264 0.4805 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D12 mock treatment 4.417 -0.365 -0.35 4.5887 -0.398 -0.36 -0.496 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D13 compound treatment 4.474 -0.308 -0.29 3.9418 -1.05 -0.93 -0.866 -0.8861 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D14 compound treatment 4.7216 -0.0608 -0.06 4.0263 -0.961 -0.86 -0.6469 -0.7529 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D15 mock treatment 3.9601 -0.822 -0.78 5.2964 0.309 0.28 -0.3553 -0.4302 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D16 mock treatment 4.5006 -0.282 -0.27 4.8587 -0.128 -0.11 -0.2697 -0.9288 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D17 compound treatment 5.4654 0.683 0.65 4.7446 -0.243 -0.22 0.3041 0.446 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D18 compound treatment 3.9141 -0.868 -0.82 4.7986 -0.189 -0.17 -0.7002 -0.8345 3071579 PK04_108078 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D19 compound treatment 7.3618 2.58 2.44 7.5289 2.54 2.27 3.3301 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D20 compound treatment 6.2963 1.51 1.43 7.3385 2.35 2.1 2.4967 0.9827 3188011 PK04_108080 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D21 compound treatment 4.1767 -0.606 -0.57 5.1647 0.178 0.16 -0.2934 -0.4933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D22 compound treatment 3.4748 -1.31 -1.24 3.6637 -1.32 -1.18 -1.7102 -0.9997 3071581 PK04_108082 O=C1C2CC=C(CC2C(=O)c3ccccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D23 compound treatment 4.3442 -0.438 -0.41 5.8628 0.876 0.78 0.2591 0.2929 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 D24 compound treatment 3.9176 -0.865 -0.82 4.4265 -0.561 -0.5 -0.9326 -0.9721 3071582 PK04_108084 O=C1c2ccccc2C(=O)c3cc(ccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E01 mock treatment 4.1117 -0.671 -0.63 5.0045 0.0173 0.02 -0.4381 -0.6897 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E02 mock treatment 4.5028 -0.28 -0.26 4.8367 -0.15 -0.13 -0.2821 -0.9504 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E03 compound treatment 4.8161 0.0337 0.03 4.6581 -0.329 -0.29 -0.1851 -0.6266 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E04 compound treatment 1.361 -3.42 -3.24 1.2254 -3.76 -3.36 -4.6633 -0.9998 3071583 PK04_108086 C/C=C/CN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E05 compound treatment 4.5226 -0.26 -0.25 4.4055 -0.582 -0.52 -0.5409 -0.9418 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E06 compound treatment 4.818 0.0356 0.03 4.7022 -0.285 -0.25 -0.156 -0.6082 3071584 PK04_108088 OCC(NCC#C)/C=C/c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E07 compound treatment 4.8846 0.102 0.1 5.1302 0.143 0.13 0.1587 0.9906 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E08 compound treatment 4.7913 0.00889 0.01 4.8568 -0.13 -0.12 -0.0763 -0.6542 3071585 PK04_108090 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E09 mock treatment 4.0693 -0.713 -0.67 4.959 -0.0282 -0.03 -0.4951 -0.7329 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E10 mock treatment 4.7862 0.00382 0.0 4.5229 -0.464 -0.41 -0.2904 -0.7009 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E11 compound treatment 4.8961 0.114 0.11 5.0091 0.0219 0.02 0.0899 0.8223 3071586 PK04_108091 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E12 compound treatment 5.0041 0.222 0.21 4.7195 -0.268 -0.24 -0.0205 -0.0646 3188130 PK04_108092 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E13 compound treatment 4.2802 -0.502 -0.48 4.355 -0.632 -0.56 -0.735 -0.9964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E14 compound treatment 4.6359 -0.146 -0.14 4.1344 -0.853 -0.76 -0.6361 -0.8224 3071587 PK04_108094 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E15 compound treatment 4.3287 -0.454 -0.43 4.2577 -0.729 -0.65 -0.7639 -0.9797 3188132 PK04_108095 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E16 compound treatment 6.8529 2.07 1.96 4.9491 -0.0381 -0.03 1.3618 0.6948 3071588 PK04_108096 BrC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E17 mock treatment 4.4507 -0.332 -0.31 5.3261 0.339 0.3 -0.0082 -0.0188 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E18 mock treatment 4.5285 -0.254 -0.24 5.2014 0.214 0.19 -0.0348 -0.1134 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E19 compound treatment 4.5358 -0.247 -0.23 4.9298 -0.0574 -0.05 -0.2013 -0.8422 3188133 PK04_108097 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E20 compound treatment 5.65 0.868 0.82 5.6875 0.7 0.62 1.0225 0.9909 3071589 PK04_108098 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E21 compound treatment 4.6756 -0.107 -0.1 4.8275 -0.16 -0.14 -0.1722 -0.9859 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E22 compound treatment 7.2768 2.49 2.36 5.4449 0.458 0.41 1.9584 0.8173 3071590 PK04_108100 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E23 compound treatment 4.7104 -0.0721 -0.07 5.7043 0.717 0.64 0.4042 0.6281 3188135 PK04_108101 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 E24 compound treatment 4.1308 -0.652 -0.62 5.1118 0.125 0.11 -0.3576 -0.5704 3071591 PK04_108102 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F01 mock treatment 5.4456 0.663 0.63 4.717 -0.27 -0.24 0.2734 0.4066 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F02 mock treatment 5.2497 0.467 0.44 5.3767 0.39 0.35 0.5585 0.9929 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F03 compound treatment 5.4986 0.716 0.68 5.3175 0.33 0.29 0.6878 0.9304 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F04 compound treatment 6.1419 1.36 1.29 5.2074 0.22 0.2 1.0489 0.8057 3071592 PK04_108104 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F05 compound treatment 6.9694 2.19 2.07 5.5152 0.528 0.47 1.797 0.8464 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F06 compound treatment 5.3244 0.542 0.51 5.5849 0.598 0.53 0.7398 0.9998 3071592 PK04_108106 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F07 compound treatment 4.8978 0.115 0.11 5.1726 0.185 0.17 0.1943 0.9797 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F08 compound treatment 1.522 -3.26 -3.09 1.6082 -3.38 -3.01 -4.3141 -0.9999 3188138 PK04_108108 Cc1ccc(cc1)S(=O)(=O)N(CCC=C)CC#C[C@H]2Oc3ccccc3S(=O)(=O)N4CCC[C@@H]24 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F09 mock treatment 4.2911 -0.491 -0.47 4.7117 -0.275 -0.25 -0.5027 -0.9556 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F10 mock treatment 3.995 -0.787 -0.75 5.1422 0.155 0.14 -0.4293 -0.5663 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F11 compound treatment 4.7611 -0.0214 -0.02 4.8263 -0.161 -0.14 -0.1158 -0.7988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F12 compound treatment 4.8526 0.0702 0.07 4.4124 -0.575 -0.51 -0.3156 -0.6104 3071594 PK04_108110 O=S1(=O)N2CCC[C@H]2[C@H](Oc3ccccc31)C#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F13 compound treatment 4.9316 0.149 0.14 4.473 -0.514 -0.46 -0.2246 -0.4678 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F14 compound treatment 4.4055 -0.377 -0.36 4.4561 -0.531 -0.47 -0.5873 -0.9902 3414064 PK04_108112 O=S1(=O)N2CCC[C@@H]2[C@@H](Oc3ccccc31)C#C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F15 compound treatment 4.5269 -0.255 -0.24 4.7461 -0.241 -0.22 -0.3231 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F16 compound treatment 4.9596 0.177 0.17 4.7693 -0.218 -0.19 -0.0188 -0.0734 3188141 PK04_108114 C=CC(=C)[C@H]1Oc2ccccc2S(=O)(=O)N3CCC[C@@H]13 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F17 mock treatment 4.8526 0.0702 0.07 4.444 -0.543 -0.48 -0.2957 -0.6045 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F18 mock treatment 5.0708 0.288 0.27 4.5943 -0.393 -0.35 -0.0548 -0.1233 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F19 compound treatment 5.6391 0.857 0.81 4.8599 -0.127 -0.11 0.4932 0.6023 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F20 compound treatment 1.4269 -3.36 -3.18 1.4254 -3.56 -3.18 -4.4931 -1.0 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F21 compound treatment 5.2129 0.431 0.41 4.6081 -0.379 -0.34 0.049 0.0926 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F22 compound treatment 1.6661 -3.12 -2.95 1.77 -3.22 -2.87 -4.1156 -0.9999 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-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F23 compound treatment 4.4994 -0.283 -0.27 5.2918 0.305 0.27 0.0028 0.0073 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 F24 compound treatment 2.2493 -2.53 -2.4 2.586 -2.4 -2.14 -3.2104 -0.9984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G01 compound treatment 5.0758 0.293 0.28 4.7979 -0.189 -0.17 0.077 0.2368 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G02 compound treatment 5.7083 0.926 0.88 5.9326 0.945 0.84 1.2162 0.9998 3188261 PK04_108122 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3cccc(C)c3)C(=O)[C@@]42CO4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G03 mock treatment 5.3556 0.573 0.54 6.6571 1.67 1.49 1.4372 0.9064 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G04 mock treatment 5.2235 0.441 0.42 4.3032 -0.684 -0.61 -0.1363 -0.1844 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G05 compound treatment 5.2972 0.515 0.49 5.3444 0.357 0.32 0.5699 0.9788 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G06 compound treatment 5.5048 0.722 0.68 5.6882 0.701 0.63 0.9258 0.999 3071600 PK04_108124 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(OC)C(=O)[C@@]43CO4)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G07 compound treatment 4.3399 -0.443 -0.42 4.8512 -0.136 -0.12 -0.382 -0.8759 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G08 compound treatment 5.6995 0.917 0.87 5.3509 0.364 0.32 0.8433 0.9099 3071601 PK04_108126 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G09 compound treatment 5.2069 0.425 0.4 5.5361 0.549 0.49 0.6304 0.9952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G10 compound treatment 5.0202 0.238 0.23 5.7213 0.734 0.66 0.6223 0.8985 3071602 PK04_108128 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G11 compound treatment 6.0118 1.23 1.16 5.4371 0.45 0.4 1.1067 0.899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G12 compound treatment 5.1567 0.374 0.35 6.1553 1.17 1.04 0.9875 0.897 3071603 PK04_108130 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G13 compound treatment 5.669 0.887 0.84 4.8771 -0.11 -0.1 0.524 0.6201 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G14 compound treatment 5.7537 0.971 0.92 6.2227 1.24 1.1 1.4296 0.9959 3071604 PK04_108132 CCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G15 compound treatment 5.0595 0.277 0.26 5.1318 0.145 0.13 0.2767 0.9466 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G16 compound treatment 6.4741 1.69 1.6 5.6554 0.668 0.6 1.5539 0.9094 3071651 PK04_108134 IC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G17 compound treatment 5.066 0.284 0.27 5.4887 0.502 0.45 0.5062 0.9701 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G18 compound treatment 6.2353 1.45 1.38 7.4982 2.51 2.24 2.5566 0.9726 3071652 PK04_108136 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G19 mock treatment 5.823 1.04 0.98 5.2135 0.226 0.2 0.8393 0.8347 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G20 mock treatment 4.6947 -0.0878 -0.08 5.1009 0.114 0.1 0.013 0.0991 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G21 compound treatment 4.5626 -0.22 -0.21 5.0165 0.0294 0.03 -0.1286 -0.6133 3189164 PK04_108137 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G22 compound treatment 6.545 1.76 1.67 6.7461 1.76 1.57 2.2895 0.9995 3071653 PK04_108138 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G23 compound treatment 4.8805 0.098 0.09 4.7682 -0.219 -0.2 -0.0725 -0.3353 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 G24 compound treatment 5.6918 0.909 0.86 5.1555 0.168 0.15 0.7149 0.8181 3188268 PK04_108140 CCCCO[C@H]1C[C@H]2C(=C[C@]1(CO)C(=O)[C@@]32CO3)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H01 compound treatment 5.4347 0.652 0.62 5.3686 0.381 0.34 0.6772 0.9606 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H02 compound treatment 4.107 -0.675 -0.64 4.454 -0.533 -0.48 -0.7884 -0.9894 3071654 PK04_108142 [O-][N+](=O)c1ccccc1S(=O)(=O)N2CCC[C@@H]2[C@H]3OCC=C3C(=C)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H03 mock treatment 5.4495 0.667 0.63 5.1291 0.142 0.13 0.5361 0.8324 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H04 mock treatment 5.3342 0.552 0.52 5.384 0.397 0.35 0.6197 0.9821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H05 compound treatment 6.5016 1.72 1.63 5.3848 0.398 0.35 1.4016 0.8415 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H06 compound treatment 4.0313 -0.751 -0.71 4.406 -0.581 -0.52 -0.8694 -0.988 3071655 PK04_108144 CN1C(=O)C2CC=C(CC2C1=O)C3=CCO[C@@H]3[C@H]4CCCN4S(=O)(=O)c5ccccc5[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H07 compound treatment 5.8458 1.06 1.01 6.7285 1.74 1.55 1.8104 0.9779 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H08 compound treatment 5.4768 0.694 0.66 5.171 0.184 0.16 0.5807 0.8572 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H09 compound treatment 6.6706 1.89 1.79 7.2756 2.29 2.04 2.7076 0.9978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H10 compound treatment 4.4428 -0.34 -0.32 5.8754 0.888 0.79 0.3331 0.3894 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H11 compound treatment 5.6862 0.904 0.86 7.9596 2.97 2.65 2.4802 0.8901 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H12 compound treatment 5.7328 0.95 0.9 5.054 0.0668 0.06 0.6783 0.7523 3071527 PK04_108150 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H13 compound treatment 6.2344 1.45 1.37 6.3821 1.39 1.24 1.8519 0.9988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H14 compound treatment 4.8575 0.0751 0.07 4.757 -0.23 -0.21 -0.0949 -0.437 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H15 compound treatment 4.9447 0.162 0.15 5.086 0.0988 0.09 0.1709 0.9653 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H16 compound treatment 2.2028 -2.58 -2.44 1.9304 -3.06 -2.73 -3.6551 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H17 compound treatment 6.4487 1.67 1.58 7.1664 2.18 1.94 2.4902 0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H18 compound treatment 4.3773 -0.405 -0.38 5.4343 0.447 0.4 0.0109 0.0197 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H19 mock treatment 5.5738 0.791 0.75 6.0855 1.1 0.98 1.2226 0.9912 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H20 mock treatment 4.7549 -0.0275 -0.03 5.234 0.247 0.22 0.1373 0.6193 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H21 compound treatment 5.2545 0.472 0.45 4.9232 -0.0639 -0.06 0.2756 0.6119 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H22 compound treatment 5.9529 1.17 1.11 4.9474 -0.0397 -0.04 0.7584 0.6841 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H23 compound treatment 6.9189 2.14 2.02 5.7419 0.755 0.67 1.9062 0.8943 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 H24 compound treatment 4.464 -0.318 -0.3 4.0756 -0.912 -0.81 -0.7882 -0.9088 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I01 compound treatment 4.7833 8.69E-4 0.0 5.1051 0.118 0.11 0.075 0.7126 3188394 PK04_108161 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I02 compound treatment 5.9285 1.15 1.08 5.6772 0.69 0.62 1.2024 0.964 3071714 PK04_108162 OC[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I03 compound treatment 4.9254 0.143 0.14 5.0286 0.0414 0.04 0.1218 0.8683 3188395 PK04_108163 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I04 compound treatment 5.7199 0.938 0.89 6.3123 1.33 1.18 1.4635 0.99 3071715 PK04_108164 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I05 mock treatment 4.9589 0.176 0.17 4.9408 -0.0463 -0.04 0.0889 0.5165 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I06 mock treatment 4.9577 0.175 0.17 4.9592 -0.0279 -0.02 0.0997 0.5942 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I07 compound treatment 5.8923 1.11 1.05 5.1328 0.146 0.13 0.8348 0.7885 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I08 compound treatment 5.6511 0.869 0.82 6.0629 1.08 0.96 1.2601 0.997 3071717 PK04_108166 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I09 compound treatment 4.9959 0.213 0.2 5.3882 0.401 0.36 0.3959 0.9634 3188397 PK04_108167 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I10 compound treatment 4.3277 -0.455 -0.43 5.1302 0.143 0.13 -0.2141 -0.4769 3071720 PK04_108168 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I11 compound treatment 5.0906 0.308 0.29 4.7922 -0.195 -0.17 0.0832 0.2451 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I12 compound treatment 4.9547 0.172 0.16 5.0035 0.0164 0.01 0.1256 0.7673 3071724 PK04_108170 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@]4(CO4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I13 compound treatment 4.6512 -0.131 -0.12 4.7006 -0.287 -0.26 -0.2686 -0.945 3071725 PK04_108171 COC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I14 compound treatment 4.7243 -0.0582 -0.06 4.5847 -0.402 -0.36 -0.2928 -0.8061 3071727 PK04_108172 C[C@]12COC[C@@]2(C=C(Br)[C@@H]3C1)C(=O)[C@@]43CO4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I15 compound treatment 2.0281 -2.75 -2.61 2.285 -2.7 -2.41 -3.5484 -0.9992 3188399 PK04_108173 COC(=O)[C@H](Cc1ccc(O)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I16 compound treatment 4.5415 -0.241 -0.23 5.5611 0.574 0.51 0.2009 0.3583 3071766 PK04_108174 CCCCC[C@H]1OC[C@@]2(C=C(Br)[C@@H]3CC12)C(=O)[C@@]43CO4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I17 compound treatment 1.3456 -3.44 -3.25 1.75 -3.24 -2.89 -4.3427 -0.9982 3188400 PK04_108175 COC(=O)[C@H](Cc1ccc(OCC#C)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I18 compound treatment 4.4437 -0.339 -0.32 4.6042 -0.383 -0.34 -0.4683 -0.9995 3071767 PK04_108176 CC1(C)OC[C@@]2(C=C(Br)[C@@H]3C[C@H]12)C(=O)[C@@]43CO4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I19 compound treatment 2.251 -2.53 -2.4 2.3952 -2.59 -2.31 -3.3297 -0.9998 3188401 PK04_108177 Oc1ccc(C[C@@H]2N(CC#C)[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I20 compound treatment 4.3799 -0.403 -0.38 4.7597 -0.227 -0.2 -0.4129 -0.9565 3071770 PK04_108178 BrC1=C[C@]23COCC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I21 mock treatment 4.5868 -0.196 -0.19 5.1533 0.166 0.15 -0.0261 -0.1101 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I22 mock treatment 4.5405 -0.242 -0.23 4.6696 -0.318 -0.28 -0.3623 -0.9944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I23 compound treatment 1.5187 -3.26 -3.09 1.4537 -3.53 -3.15 -4.4138 -0.9999 3188402 PK04_108179 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccc(OCC#C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 I24 compound treatment 3.6807 -1.1 -1.04 3.741 -1.25 -1.11 -1.5236 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J01 compound treatment 5.2741 0.492 0.47 6.9862 2.0 1.78 1.5903 0.8627 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J02 compound treatment 5.3902 0.608 0.58 4.5511 -0.436 -0.39 0.1318 0.1897 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J03 compound treatment 4.4208 -0.362 -0.34 5.6593 0.672 0.6 0.182 0.2636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J04 compound treatment 5.4332 0.651 0.62 6.2979 1.31 1.17 1.2625 0.9552 3188405 PK04_108184 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J05 mock treatment 5.6636 0.881 0.83 4.969 -0.0182 -0.02 0.5783 0.6932 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J06 mock treatment 5.1121 0.33 0.31 5.1338 0.147 0.13 0.3131 0.9255 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J07 compound treatment 5.2588 0.476 0.45 4.8795 -0.108 -0.1 0.251 0.5443 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J08 compound treatment 2.4994 -2.28 -2.16 2.2558 -2.73 -2.44 -3.2513 -0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J09 compound treatment 6.2902 1.51 1.43 6.7044 1.72 1.53 2.0926 0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J10 compound treatment 3.988 -0.794 -0.75 4.5642 -0.423 -0.38 -0.7986 -0.9491 3188406 PK04_108188 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)COc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J11 compound treatment 4.9304 0.148 0.14 5.3216 0.334 0.3 0.31 0.9406 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J12 compound treatment 4.9045 0.122 0.12 4.4584 -0.529 -0.47 -0.2519 -0.5186 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J13 compound treatment 4.8086 0.0262 0.02 4.7797 -0.207 -0.19 -0.1134 -0.6071 3070932 PK04_108191 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J14 compound treatment 4.7416 -0.0408 -0.04 5.0826 0.0954 0.09 0.0329 0.3517 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J15 compound treatment 2.7999 -1.98 -1.88 3.3636 -1.62 -1.45 -2.3513 -0.9918 3188522 PK04_108193 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J16 compound treatment 4.8871 0.105 0.1 4.6327 -0.354 -0.32 -0.1535 -0.4633 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J17 compound treatment 4.4234 -0.359 -0.34 4.1839 -0.803 -0.72 -0.7471 -0.9419 3070934 PK04_108195 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J18 compound treatment 2.6422 -2.14 -2.03 2.7426 -2.24 -2.0 -2.8486 -1.0 3188524 PK04_108196 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J19 compound treatment 4.6227 -0.16 -0.15 5.2662 0.279 0.25 0.0691 0.2372 3070935 PK04_108197 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J20 compound treatment 2.4806 -2.3 -2.18 2.3076 -2.68 -2.39 -3.2312 -0.9989 3188525 PK04_108198 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J21 mock treatment 4.4123 -0.37 -0.35 4.4177 -0.569 -0.51 -0.607 -0.9835 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J22 mock treatment 5.4097 0.627 0.59 4.8541 -0.133 -0.12 0.3359 0.5548 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J23 compound treatment 5.3645 0.582 0.55 5.5187 0.532 0.47 0.725 0.9972 3070936 PK04_108199 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 J24 compound treatment 1.5939 -3.19 -3.02 1.6446 -3.34 -2.98 -4.243 -1.0 3188526 PK04_108200 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@@H](CCc6ccccc6)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K01 compound treatment 4.7591 -0.0233 -0.02 4.8445 -0.143 -0.13 -0.1056 -0.8174 3070937 PK04_108201 COC(=O)[C@H](Cc1ccc(O)cc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K02 compound treatment 3.9467 -0.836 -0.79 3.728 -1.26 -1.12 -1.3538 -0.9853 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K03 compound treatment 4.7031 -0.0794 -0.08 5.1032 0.116 0.1 0.0201 0.1569 3188528 PK04_108203 Oc1ccc(C[C@@H]2N3CC4=CCCC=C[C@@H]4[C@H]3[C@@H](Cc5ccccc5)OC2=O)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K04 compound treatment 4.06 -0.722 -0.68 4.073 -0.914 -0.82 -1.0603 -0.9962 3070938 PK04_108204 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K05 compound treatment 2.4388 -2.34 -2.22 3.2622 -1.72 -1.54 -2.6569 -0.984 3188529 PK04_108205 COC(=O)[C@H](Cc1ccccc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K06 compound treatment 3.5 -1.28 -1.21 3.6282 -1.36 -1.21 -1.7157 -1.0 3070939 PK04_108206 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)c4ccccc4)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K07 mock treatment 4.4038 -0.379 -0.36 5.1415 0.154 0.14 -0.156 -0.4065 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K08 mock treatment 4.8981 0.116 0.11 4.9777 -0.00945 -0.01 0.0714 0.6507 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K09 compound treatment 1.5795 -3.2 -3.03 1.8366 -3.15 -2.81 -4.1315 -0.9993 3188530 PK04_108207 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K10 compound treatment 3.3044 -1.48 -1.4 3.5457 -1.44 -1.29 -1.8987 -0.9991 3188531 PK04_108208 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K11 compound treatment 2.6217 -2.16 -2.05 3.2207 -1.77 -1.58 -2.5607 -0.9917 3070940 PK04_108209 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K12 compound treatment 1.9076 -2.87 -2.72 1.905 -3.08 -2.75 -3.8688 -1.0 3188532 PK04_108210 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K13 compound treatment 1.7472 -3.04 -2.87 1.8558 -3.13 -2.79 -4.0071 -0.9999 3188533 PK04_108211 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K14 compound treatment 2.3806 -2.4 -2.27 2.5191 -2.47 -2.2 -3.1647 -0.9999 3070941 PK04_108212 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K15 mock treatment 4.9616 0.179 0.17 4.7554 -0.232 -0.21 -0.0263 -0.0983 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K16 mock treatment 4.5298 -0.253 -0.24 5.115 0.128 0.11 -0.0885 -0.3339 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K17 compound treatment 4.7462 -0.0362 -0.03 5.9269 0.94 0.84 0.5686 0.6776 3188534 PK04_108213 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K18 compound treatment 3.5183 -1.26 -1.2 5.1203 0.133 0.12 -0.7621 -0.6338 3070942 PK04_108214 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K19 compound treatment 4.5394 -0.243 -0.23 4.9859 -0.00127 0.0 -0.1635 -0.7106 3188535 PK04_108215 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K20 compound treatment 2.0341 -2.75 -2.6 1.9051 -3.08 -2.75 -3.7841 -0.9996 3070943 PK04_108216 CC(C)Oc1ccc(cc1)C(=O)N2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K21 compound treatment 2.5304 -2.25 -2.13 1.8853 -3.1 -2.77 -3.4643 -0.9917 3188536 PK04_108217 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K22 compound treatment 3.2444 -1.54 -1.46 3.3264 -1.66 -1.48 -2.0773 -1.0 3188537 PK04_108218 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Br)cc3)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K23 mock treatment 4.4879 -0.295 -0.28 5.7739 0.787 0.7 0.2992 0.3961 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 K24 mock treatment 4.3753 -0.407 -0.39 6.1113 1.12 1.0 0.4367 0.4064 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L01 compound treatment 4.8607 0.0783 0.07 4.5663 -0.421 -0.38 -0.2131 -0.5568 3070944 PK04_108219 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L02 compound treatment 4.8824 0.1 0.09 4.6797 -0.307 -0.27 -0.127 -0.4378 3188538 PK04_108220 CCCC[C@H]1OB(O)C[C@H]2C1=C(C)Cn3n2c(=O)n(c4ccccc4)c3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L03 compound treatment 4.4067 -0.376 -0.36 5.2054 0.218 0.19 -0.1138 -0.2806 3188539 PK04_108221 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L04 compound treatment 4.8247 0.0423 0.04 5.1051 0.118 0.11 0.1027 0.9122 3215882 PK04_108222 CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn3n2c(=O)n(c4ccccc4)c3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L05 compound treatment 5.1409 0.359 0.34 5.9379 0.951 0.85 0.8398 0.9192 3188540 PK04_108223 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L06 compound treatment 3.8535 -0.929 -0.88 4.4333 -0.554 -0.49 -0.9712 -0.9629 3215880 PK04_108224 CCCC[C@H]1OB(O)C[C@H]2C1=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L07 mock treatment 4.5162 -0.266 -0.25 4.3019 -0.685 -0.61 -0.6105 -0.9232 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L08 mock treatment 5.5522 0.77 0.73 4.7336 -0.254 -0.23 0.3553 0.4656 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L09 compound treatment 4.7785 -0.00389 0.0 4.4947 -0.492 -0.44 -0.3133 -0.713 3188541 PK04_108225 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L10 compound treatment 3.2068 -1.58 -1.49 4.1651 -0.822 -0.73 -1.5733 -0.9466 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L11 compound treatment 4.677 -0.105 -0.1 5.1129 0.126 0.11 0.0087 0.0583 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L12 compound treatment 4.6704 -0.112 -0.11 4.1035 -0.884 -0.79 -0.6325 -0.7951 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L13 compound treatment 4.667 -0.115 -0.11 4.6209 -0.366 -0.33 -0.3083 -0.8948 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L14 compound treatment 3.4307 -1.35 -1.28 4.3838 -0.603 -0.54 -1.2854 -0.926 3070948 PK04_108230 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)C=CC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L15 mock treatment 4.765 -0.0175 -0.02 5.7105 0.723 0.65 0.4447 0.6888 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L16 mock treatment 4.6692 -0.113 -0.11 5.4447 0.458 0.41 0.2129 0.5044 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L17 compound treatment 4.885 0.103 0.1 4.4109 -0.576 -0.51 -0.2949 -0.5636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L18 compound treatment 5.3849 0.602 0.57 4.915 -0.0721 -0.06 0.3578 0.6234 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L19 compound treatment 4.5436 -0.239 -0.23 5.2437 0.257 0.23 0.002 0.0061 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L20 compound treatment 5.074 0.292 0.28 5.0799 0.0927 0.08 0.2536 0.8803 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L21 compound treatment 4.7276 -0.0548 -0.05 5.2162 0.229 0.2 0.1078 0.5112 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L22 compound treatment 3.6784 -1.1 -1.05 4.4216 -0.566 -0.5 -1.0958 -0.9442 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L23 mock treatment 4.545 -0.237 -0.22 4.8283 -0.159 -0.14 -0.2591 -0.9753 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 L24 mock treatment 4.3392 -0.443 -0.42 4.3411 -0.646 -0.58 -0.7043 -0.9878 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M01 compound treatment 3.4034 -1.38 -1.31 3.7307 -1.26 -1.12 -1.7157 -0.9971 3188660 PK04_108237 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M02 compound treatment 4.8126 0.0301 0.03 4.7454 -0.242 -0.22 -0.1324 -0.6083 3070952 PK04_108238 CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M03 compound treatment 3.5372 -1.25 -1.18 3.6608 -1.33 -1.18 -1.6703 -1.0 3188661 PK04_108239 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M04 compound treatment 4.3067 -0.476 -0.45 4.2183 -0.769 -0.69 -0.8035 -0.9792 3070953 PK04_108240 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M05 compound treatment 3.801 -0.981 -0.93 4.2997 -0.687 -0.61 -1.0906 -0.9797 3188662 PK04_108241 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@@H]2[C@@H](O)Cc3ccccc3)/C=C/C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M06 compound treatment 4.3768 -0.406 -0.38 4.4298 -0.557 -0.5 -0.6232 -0.9918 3070954 PK04_108242 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)c3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M07 compound treatment 3.781 -1.0 -0.95 5.0012 0.0141 0.01 -0.6614 -0.6977 3188663 PK04_108243 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M08 compound treatment 4.4363 -0.346 -0.33 4.649 -0.338 -0.3 -0.445 -0.9991 3188664 PK04_108244 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)Nc3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M09 mock treatment 5.113 0.331 0.31 5.4487 0.462 0.41 0.5125 0.9908 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M10 mock treatment 4.4289 -0.354 -0.33 4.6923 -0.295 -0.26 -0.4226 -0.9929 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M11 compound treatment 4.7828 3.62E-4 0.0 4.6419 -0.345 -0.31 -0.2176 -0.7063 3070955 PK04_108245 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M12 compound treatment 3.4232 -1.36 -1.29 4.4952 -0.492 -0.44 -1.2202 -0.8975 3188665 PK04_108246 CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M13 mock treatment 4.8718 0.0893 0.08 4.7616 -0.226 -0.2 -0.0825 -0.3779 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M14 mock treatment 5.4153 0.633 0.6 6.3965 1.41 1.26 1.3128 0.9425 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M15 compound treatment 5.256 0.474 0.45 5.8984 0.911 0.81 0.8918 0.9606 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M16 compound treatment 3.393 -1.39 -1.32 3.5508 -1.44 -1.28 -1.8361 -0.9999 3070994 PK04_108248 CC(C)Oc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M17 compound treatment 4.2758 -0.507 -0.48 4.7217 -0.265 -0.24 -0.5066 -0.9471 3188667 PK04_108249 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4ccccc4Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M18 compound treatment 1.6466 -3.14 -2.97 1.8807 -3.11 -2.77 -4.0588 -0.9994 3070995 PK04_108250 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4OCOc4c3)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M19 compound treatment 4.6397 -0.143 -0.14 4.7791 -0.208 -0.19 -0.2268 -0.9878 3188668 PK04_108251 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c2ccccc2)[C@@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M20 compound treatment 5.4451 0.663 0.63 5.7295 0.742 0.66 0.9119 0.9996 2133134 PK04_108252 CCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M21 compound treatment 3.3241 -1.46 -1.38 3.2918 -1.7 -1.51 -2.0457 -0.999 3070996 PK04_108253 O[C@@H](Cc1ccccc1)[C@@H](/C=C/c2ccccc2)N(CC#C)Cc3ccccc3Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M22 compound treatment 4.6225 -0.16 -0.15 5.3219 0.335 0.3 0.1041 0.3109 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M23 compound treatment 4.9548 0.172 0.16 4.0027 -0.984 -0.88 -0.5057 -0.5661 3070997 PK04_108255 CCCC/C=C/[C@H]([C@@H](O)Cc1ccccc1)N(CC#Cc2ccccc2)Cc3ccccc3Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 M24 compound treatment 4.1132 -0.669 -0.63 5.0814 0.0943 0.08 -0.3885 -0.6079 3188671 PK04_108256 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCCc3c[nH]c4ccccc34)[C@@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N01 compound treatment 7.3534 2.57 2.43 8.1198 3.13 2.79 3.6972 0.9976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N02 compound treatment 4.3959 -0.387 -0.37 4.3031 -0.684 -0.61 -0.6903 -0.97 3070998 PK04_108258 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N03 compound treatment 5.1116 0.329 0.31 5.8881 0.901 0.8 0.7887 0.9149 3188673 PK04_108259 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N04 compound treatment 4.2794 -0.503 -0.48 4.8865 -0.101 -0.09 -0.4002 -0.8259 3070999 PK04_108260 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N05 compound treatment 4.4201 -0.362 -0.34 4.0993 -0.888 -0.79 -0.8027 -0.9298 3188674 PK04_108261 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N06 compound treatment 3.8264 -0.956 -0.9 4.9823 -0.00488 0.0 -0.643 -0.7105 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N07 compound treatment 4.5272 -0.255 -0.24 4.3403 -0.647 -0.58 -0.5789 -0.9253 3188675 PK04_108263 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N08 compound treatment 5.0179 0.235 0.22 5.971 0.984 0.88 0.7783 0.8594 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N09 mock treatment 5.1552 0.373 0.35 5.9078 0.921 0.82 0.8303 0.9288 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N10 mock treatment 5.2121 0.43 0.41 5.5607 0.574 0.51 0.6495 0.9935 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N11 compound treatment 4.9749 0.192 0.18 5.4805 0.493 0.44 0.4401 0.9238 3071001 PK04_108265 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N12 compound treatment 5.9713 1.19 1.13 4.7491 -0.238 -0.21 0.6456 0.5637 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N13 mock treatment 6.3928 1.61 1.52 4.5889 -0.398 -0.36 0.8266 0.5281 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N14 mock treatment 4.946 0.164 0.15 5.6889 0.702 0.63 0.5523 0.8562 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N15 compound treatment 4.7456 -0.0368 -0.03 5.9093 0.922 0.82 0.5572 0.6766 3071002 PK04_108267 OCC1CC(=NO1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N16 compound treatment 3.8591 -0.923 -0.87 4.7122 -0.275 -0.25 -0.7915 -0.8719 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N17 compound treatment 5.9067 1.12 1.06 6.3349 1.35 1.2 1.6028 0.9981 3071004 PK04_108269 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N18 compound treatment 4.232 -0.55 -0.52 4.8663 -0.121 -0.11 -0.4447 -0.8357 3071005 PK04_108270 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N19 compound treatment 4.5283 -0.254 -0.24 5.8338 0.847 0.76 0.364 0.4592 3414065 PK04_108271 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N20 compound treatment 2.9662 -1.82 -1.72 3.3929 -1.59 -1.42 -2.2215 -0.9956 3188790 PK04_108272 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N21 compound treatment 4.8538 0.0714 0.07 5.1792 0.192 0.17 0.169 0.9173 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N22 compound treatment 3.0262 -1.76 -1.66 3.0685 -1.92 -1.71 -2.386 -0.9999 3188791 PK04_108274 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N23 compound treatment 4.3154 -0.467 -0.44 5.4014 0.414 0.37 -0.0513 -0.089 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 N24 compound treatment 4.3107 -0.472 -0.45 4.465 -0.522 -0.47 -0.6452 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O01 compound treatment 2.9751 -1.81 -1.71 3.7916 -1.2 -1.07 -1.9639 -0.9741 3071055 PK04_108277 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O02 compound treatment 4.0158 -0.767 -0.73 3.9871 -1.0 -0.89 -1.1441 -0.9947 2129060 PK04_108278 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCC3CCCCC3)[C@@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O03 compound treatment 3.8652 -0.917 -0.87 4.8278 -0.159 -0.14 -0.7145 -0.8121 3188794 PK04_108279 O[C@@H](Cc1ccccc1)[C@H](NCc2cccc(Cl)c2)/C=C/C3CC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O04 compound treatment 4.5434 -0.239 -0.23 4.8841 -0.103 -0.09 -0.225 -0.9213 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O05 compound treatment 4.2433 -0.539 -0.51 4.0125 -0.975 -0.87 -0.9758 -0.9677 3188796 PK04_108281 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4cccc(Cl)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O06 compound treatment 5.2526 0.47 0.45 6.0715 1.08 0.97 0.9988 0.9379 2129061 PK04_108282 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC3CCCCCC3)[C@@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O07 compound treatment 4.1766 -0.606 -0.57 4.1618 -0.825 -0.74 -0.9262 -0.9924 3071060 PK04_108283 O[C@@H](Cc1ccccc1)[C@H](NCc2ccccc2Br)/C=C/c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O08 compound treatment 3.6812 -1.1 -1.04 4.491 -0.496 -0.44 -1.0501 -0.9272 2129067 PK04_108284 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccccc3F)[C@@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O09 compound treatment 3.6713 -1.11 -1.05 3.8598 -1.13 -1.01 -1.4549 -0.9998 3188797 PK04_108285 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC=C3CN2Cc4cccc(Cl)c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O10 compound treatment 4.0702 -0.712 -0.67 3.9326 -1.05 -0.94 -1.142 -0.9866 2129068 PK04_108286 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccc(F)cc3)[C@@H]2O)C(=O)NCCO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O11 mock treatment 4.8361 0.0537 0.05 4.1747 -0.812 -0.72 -0.4766 -0.6559 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O12 mock treatment 3.6024 -1.18 -1.12 3.9896 -0.998 -0.89 -1.4192 -0.9937 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O13 compound treatment 3.9603 -0.822 -0.78 4.4077 -0.579 -0.52 -0.9158 -0.9803 3188798 PK04_108287 COC1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c3ccccc3)[C@H](Cc4ccccc4)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O14 compound treatment 4.3828 -0.4 -0.38 4.3538 -0.633 -0.57 -0.6671 -0.9809 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O15 compound treatment 3.7305 -1.05 -1.0 4.0313 -0.956 -0.85 -1.3071 -0.997 3188799 PK04_108289 CN1C(=O)C2C3[C@H]([C@@H](O)Cc4ccccc4)N(Cc5cccc(Cl)c5)CC3=CC(C6CC6)C2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O16 compound treatment 3.8576 -0.925 -0.88 3.0357 -1.95 -1.74 -1.8502 -0.9494 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O17 compound treatment 3.1903 -1.59 -1.51 3.2461 -1.74 -1.55 -2.1641 -0.9999 3071066 PK04_108291 O[C@@H](Cc1ccccc1)[C@H](N(CC#C)CC2=CCCCC2)c3ccccc3Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O18 compound treatment 3.8849 -0.898 -0.85 3.5989 -1.39 -1.24 -1.4766 -0.9831 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O19 compound treatment 3.5867 -1.2 -1.13 4.3465 -0.641 -0.57 -1.2045 -0.9499 3071068 PK04_108293 O=C(Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O20 compound treatment 4.1844 -0.598 -0.57 4.2731 -0.714 -0.64 -0.8508 -0.9983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O21 compound treatment 3.0958 -1.69 -1.6 3.1081 -1.88 -1.68 -2.3144 -0.9997 3071112 PK04_108295 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4cccc(Cl)c4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O22 compound treatment 3.8657 -0.917 -0.87 4.0192 -0.968 -0.86 -1.2243 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O23 compound treatment 3.7074 -1.07 -1.02 3.8464 -1.14 -1.02 -1.4392 -1.0 3188804 PK04_108297 Clc1cccc(CN2CC3=CCCC=CC3[C@@H]2[C@H](Cc4ccccc4)OC(=O)C=C)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 O24 compound treatment 3.8811 -0.901 -0.85 3.9816 -1.01 -0.9 -1.2377 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P01 compound treatment 3.8609 -0.922 -0.87 4.4011 -0.586 -0.52 -0.9866 -0.9701 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P02 compound treatment 3.8129 -0.97 -0.92 4.098 -0.889 -0.79 -1.2099 -0.9974 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P03 compound treatment 4.7148 -0.0676 -0.06 4.4657 -0.521 -0.47 -0.3742 -0.7969 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P04 compound treatment 3.8049 -0.978 -0.93 3.4283 -1.56 -1.39 -1.6378 -0.9804 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P05 compound treatment 4.3129 -0.47 -0.44 3.6546 -1.33 -1.19 -1.155 -0.9099 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P06 compound treatment 4.1544 -0.628 -0.59 4.1105 -0.877 -0.78 -0.9734 -0.9908 3188808 PK04_108304 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P07 compound treatment 3.778 -1.0 -0.95 4.3772 -0.61 -0.54 -1.0571 -0.9649 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P08 compound treatment 2.0811 -2.7 -2.56 2.7943 -2.19 -1.96 -3.1916 -0.9913 3188923 PK04_108306 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P09 compound treatment 3.96 -0.822 -0.78 4.4657 -0.521 -0.47 -0.8794 -0.9697 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P10 compound treatment 2.8922 -1.89 -1.79 2.9896 -2.0 -1.78 -2.5254 -1.0 3071127 PK04_108308 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P11 mock treatment 4.2055 -0.577 -0.55 3.7695 -1.22 -1.09 -1.1543 -0.9494 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P12 mock treatment 4.2662 -0.516 -0.49 4.3088 -0.678 -0.61 -0.7735 -0.9944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P13 compound treatment 3.5168 -1.27 -1.2 4.1855 -0.802 -0.72 -1.3529 -0.9696 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P14 compound treatment 4.323 -0.459 -0.43 4.2783 -0.709 -0.63 -0.7547 -0.9833 3071425 PK04_108310 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P15 compound treatment 3.395 -1.39 -1.31 4.1515 -0.836 -0.75 -1.4559 -0.964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P16 compound treatment 4.0084 -0.774 -0.73 4.0326 -0.955 -0.85 -1.1203 -0.9972 3215868 PK04_108312 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P17 compound treatment 3.4262 -1.36 -1.28 4.2882 -0.699 -0.62 -1.3488 -0.945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P18 compound treatment 3.2273 -1.56 -1.47 3.7304 -1.26 -1.12 -1.8338 -0.991 3215866 PK04_108314 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P19 compound treatment 4.4381 -0.344 -0.33 3.8727 -1.11 -0.99 -0.9335 -0.8922 3071435 PK04_108315 COC(=O)C[C@H]1O[C@@]2(C[C@@H]1[Si](C)(C)C)C(=O)N(C)c3ccccc32 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P20 compound treatment 3.7342 -1.05 -0.99 5.7671 0.78 0.7 -0.2095 -0.1729 3071437 PK04_108316 OB1OC(CCc2ccccc2)CC=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P21 compound treatment 3.7134 -1.07 -1.01 3.5975 -1.39 -1.24 -1.5923 -0.9949 3188929 PK04_108317 COC(=O)C/C=C/C[C@]1(O)C(=O)N(C)c2ccccc21 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P22 compound treatment 3.0036 -1.78 -1.68 3.7483 -1.24 -1.11 -1.9722 -0.9792 3071483 PK04_108318 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P23 compound treatment 3.8522 -0.93 -0.88 3.8734 -1.11 -0.99 -1.3253 -0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2108 P24 compound treatment 3.6202 -1.16 -1.1 3.8185 -1.17 -1.04 -1.5152 -0.9996 3071486 PK04_108320 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A01 compound treatment 5.3076 0.588 0.56 5.0315 0.285 0.25 0.5734 0.9368 3131442 CMLD2_000001 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A02 compound treatment 4.8879 0.169 0.16 5.8226 1.08 0.96 0.7915 0.8136 3131443 CMLD2_000002 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A03 compound treatment 6.6789 1.96 1.85 5.4381 0.691 0.62 1.7478 0.8941 3010137 CMLD2_000003 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOC)O3)O2)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A04 compound treatment 6.9352 2.22 2.1 7.0833 2.34 2.08 2.9573 1.0 3131444 CMLD2_000004 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A05 compound treatment 6.859 2.14 2.03 7.1389 2.39 2.13 2.9413 0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A06 compound treatment 4.868 0.149 0.14 5.5668 0.82 0.73 0.6169 0.828 3010139 CMLD2_000006 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A07 compound treatment 4.8623 0.143 0.14 4.4559 -0.291 -0.26 -0.0878 -0.2999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A08 compound treatment 5.0686 0.349 0.33 5.1841 0.437 0.39 0.5097 0.9966 3010141 CMLD2_000008 COCn1c2ccccc2c3nnc(nc13)C(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A09 compound treatment 5.5343 0.815 0.77 4.9865 0.24 0.21 0.6967 0.8702 3010141 CMLD2_000009 COCn1c2ccccc2c3nnc(nc13)C(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A10 compound treatment 4.5916 -0.128 -0.12 5.4488 0.702 0.63 0.3574 0.5604 3010142 CMLD2_000010 CC(C)[C@H](O)C1=CCCCC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A11 compound treatment 4.8989 0.18 0.17 5.0527 0.306 0.27 0.3132 0.9741 3131447 CMLD2_000011 O=C(OCc1ccccc1)C(C2CCCC(=O)C2)C(=O)OCc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A12 compound treatment 4.861 0.142 0.13 5.0927 0.346 0.31 0.3131 0.9305 3010143 CMLD2_000012 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A13 mock treatment 5.7325 1.01 0.96 5.1867 0.44 0.39 0.9556 0.9222 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A14 mock treatment 4.7896 0.0704 0.07 4.9836 0.237 0.21 0.1965 0.887 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A15 compound treatment 4.6096 -0.11 -0.1 5.1451 0.398 0.36 0.1778 0.4804 3131448 CMLD2_000013 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A16 compound treatment 10.2339 5.51 5.22 10.3921 5.65 5.04 7.2527 0.9998 3131449 CMLD2_000014 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A17 compound treatment 5.5048 0.786 0.74 6.5367 1.79 1.6 1.655 0.9395 3010159 CMLD2_000015 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A18 mock treatment 5.4525 0.733 0.69 5.0209 0.274 0.24 0.6637 0.9019 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A19 compound treatment 4.7189 -3.79E-4 0.0 4.5317 -0.215 -0.19 -0.136 -0.7084 3131450 CMLD2_000016 COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/c3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A20 compound treatment 4.7695 0.0503 0.05 5.7823 1.04 0.92 0.6869 0.7425 3010162 CMLD2_000017 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C[C@@H](O)CN=[N+]=[N-])c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A21 compound treatment 4.5836 -0.136 -0.13 5.0715 0.325 0.29 0.114 0.36 3131451 CMLD2_000018 COc1ccc(OC[C@H]2Cc3c(nc4CCN(CCOc5ccccc5)Cc4c3CO2)c6ccccc6)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A22 compound treatment 3.7031 -1.02 -0.96 3.4281 -1.32 -1.18 -1.5122 -0.995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A23 compound treatment 5.1046 0.385 0.36 4.2063 -0.541 -0.48 -0.0831 -0.1374 3010166 CMLD2_000020 COc1cccc(c1)[C@H]2N[C@@H](CC[C@@H]2C)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 A24 compound treatment 3.1596 -1.56 -1.48 3.4271 -1.32 -1.18 -1.8766 -0.9937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B01 compound treatment 4.5934 -0.126 -0.12 5.9705 1.22 1.09 0.6877 0.6262 3131453 CMLD2_000022 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B02 compound treatment 5.7128 0.994 0.94 6.4503 1.7 1.52 1.7397 0.9734 3131569 CMLD2_000023 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B03 compound treatment 5.2596 0.54 0.51 5.0417 0.295 0.26 0.5477 0.9522 3131570 CMLD2_000024 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B04 compound treatment 5.1878 0.469 0.44 5.2451 0.498 0.44 0.6279 1.0 3010172 CMLD2_000025 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B05 compound treatment 5.6397 0.92 0.87 6.927 2.18 1.95 1.9915 0.9344 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B06 compound treatment 5.306 0.587 0.56 4.8131 0.0662 0.06 0.4345 0.7779 3010200 CMLD2_000027 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B07 compound treatment 4.616 -0.103 -0.1 5.3485 0.602 0.54 0.3104 0.569 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B08 compound treatment 7.6038 2.88 2.73 9.3438 4.6 4.1 4.8309 0.9805 3010203 CMLD2_000029 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCc2nc1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B09 compound treatment 5.9971 1.28 1.21 4.5335 -0.213 -0.19 0.7207 0.5886 3010205 CMLD2_000030 COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)OC)co1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B10 compound treatment 4.8715 0.152 0.14 5.2926 0.546 0.49 0.4462 0.8788 3131573 CMLD2_000031 Cc1cc2C(=O)[C@@H]3O[C@@H]3[C@H](O)c2c(=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B11 compound treatment 4.5403 -0.179 -0.17 5.1258 0.379 0.34 0.1193 0.3155 3010207 CMLD2_000032 CC1(C)OCC(CO1)C(O)C2=CCCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B12 compound treatment 4.3353 -0.384 -0.36 4.7489 0.00201 0.0 -0.2557 -0.7036 3131574 CMLD2_000033 COC(=O)[C@H](C)NC(=O)[C@@H](C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B13 mock treatment 4.7008 -0.0184 -0.02 5.2296 0.483 0.43 0.2922 0.6779 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B14 mock treatment 4.874 0.155 0.15 4.5744 -0.172 -0.15 -0.0052 -0.0247 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B15 compound treatment 4.3547 -0.365 -0.35 5.1801 0.433 0.39 0.0293 0.0566 3010209 CMLD2_000034 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)OC(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B16 compound treatment 5.3536 0.634 0.6 4.6046 -0.142 -0.13 0.3349 0.5456 2082484 CMLD2_000035 COC(=O)C(C1CCCC(=O)C1)C(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B17 compound treatment 4.304 -0.415 -0.39 4.8675 0.121 0.11 -0.2019 -0.4953 3131575 CMLD2_000036 COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)CO 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B18 mock treatment 4.8233 0.104 0.1 4.8518 0.105 0.09 0.1359 0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B19 compound treatment 4.6369 -0.0824 -0.08 4.4332 -0.314 -0.28 -0.253 -0.8709 3010212 CMLD2_000037 CO[C@@H]1[C@H](O)CO[C@H]1/C=C/c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B20 compound treatment 4.601 -0.118 -0.11 5.4235 0.677 0.6 0.3477 0.5663 3131576 CMLD2_000038 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C[C@H](O)CN=[N+]=[N-])c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B21 compound treatment 5.8163 1.1 1.04 5.0965 0.35 0.31 0.9549 0.8806 3010215 CMLD2_000039 CC(C)CN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B22 compound treatment 4.2625 -0.457 -0.43 4.3378 -0.409 -0.37 -0.5638 -0.9965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B23 compound treatment 4.4539 -0.265 -0.25 4.335 -0.412 -0.37 -0.4375 -0.9828 3010186 CMLD2_000041 COc1ccc(cc1)c2ccccc2[C@@H]3N[C@@H](CC[C@H]3C)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 B24 compound treatment 4.586 -0.133 -0.13 4.6816 -0.0653 -0.06 -0.1304 -0.9384 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C01 compound treatment 4.9988 0.28 0.26 5.4513 0.704 0.63 0.6315 0.9261 3131579 CMLD2_000043 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCc6cccc7ccccc67 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C02 compound treatment 6.1967 1.48 1.4 6.5537 1.81 1.61 2.1288 0.9975 3010248 CMLD2_000044 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C03 compound treatment 6.156 1.44 1.36 5.1321 0.385 0.34 1.2047 0.8588 3131580 CMLD2_000045 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C04 compound treatment 5.3654 0.646 0.61 4.8573 0.11 0.1 0.5021 0.8105 3131581 CMLD2_000046 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCc3ccc4OCOc4c3)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C05 compound treatment 6.2426 1.52 1.44 6.8733 2.13 1.9 2.3612 0.9908 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C06 compound treatment 5.5802 0.861 0.81 6.0105 1.26 1.13 1.3735 0.9873 3010252 CMLD2_000048 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C07 compound treatment 4.5807 -0.139 -0.13 4.6559 -0.091 -0.08 -0.1501 -0.9734 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C08 compound treatment 4.445 -0.274 -0.26 4.9749 0.228 0.2 -0.0397 -0.1204 3010254 CMLD2_000050 Cc1cc2N(CC(O)CN3CCCc4nc(C)c(C)cc34)CCCc2nc1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C09 compound treatment 3.7994 -0.92 -0.87 4.9423 0.195 0.17 -0.4924 -0.5545 3131584 CMLD2_000051 C[C@@H]1CC[C@@H]2N(C[C@@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C10 compound treatment 3.7808 -0.938 -0.89 4.2778 -0.469 -0.42 -0.9241 -0.941 3010257 CMLD2_000052 Cc1cc2C(=O)[C@@H]3O[C@@H]3[C@@H](O)c2c(=O)o1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C11 mock treatment 4.4051 -0.314 -0.3 5.752 1.01 0.9 0.4239 0.4487 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C12 mock treatment 4.3473 -0.372 -0.35 4.7705 0.0236 0.02 -0.2341 -0.6637 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C13 compound treatment 6.3525 1.63 1.55 5.5245 0.778 0.69 1.5838 0.9346 3010259 CMLD2_000053 OC(CCOCc1ccccc1)C2=CCCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C14 compound treatment 4.2597 -0.46 -0.43 4.9953 0.248 0.22 -0.1508 -0.3089 1304363 CMLD2_000054 C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C15 mock treatment 4.1998 -0.519 -0.49 3.8648 -0.882 -0.79 -0.9042 -0.9744 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C16 mock treatment 4.4587 -0.261 -0.25 4.5956 -0.151 -0.13 -0.2698 -0.9598 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C17 compound treatment 5.0267 0.307 0.29 5.4358 0.689 0.61 0.6405 0.9417 3010233 CMLD2_000055 COc1ccc(cc1)c2cnnc(CCCn3ccnc3c4ccccc4)n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C18 compound treatment 3.8985 -0.821 -0.78 4.9113 0.164 0.15 -0.4456 -0.5637 3131585 CMLD2_000056 Cc1ccc(O[C@H]2C=C[C@@H](CC=C)O[C@@H]2COC(=O)NCc3cccc4ccccc34)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C19 compound treatment 3.2371 -1.48 -1.4 3.1085 -1.64 -1.46 -2.0257 -0.9998 3131586 CMLD2_000057 CCCCC#C[C@H]1O[C@H](COC(=O)OCC)[C@@H](Oc2ccc(cc2)C(=O)OC)C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C20 compound treatment 4.0532 -0.666 -0.63 4.2473 -0.5 -0.45 -0.7609 -0.9856 3010236 CMLD2_000058 C[C@H]1CC[C@@H]2N(CC(CO)OC2=O)[C@@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C21 compound treatment 4.2452 -0.474 -0.45 3.8755 -0.871 -0.78 -0.8671 -0.9659 3131587 CMLD2_000059 CC(C)CN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2CC1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C22 compound treatment 4.6002 -0.119 -0.11 4.0701 -0.677 -0.6 -0.5066 -0.8248 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C23 compound treatment 4.3134 -0.406 -0.38 4.2133 -0.534 -0.48 -0.6083 -0.9944 3010240 CMLD2_000061 OC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 C24 compound treatment 4.5451 -0.174 -0.16 3.491 -1.26 -1.12 -0.9089 -0.8025 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D01 compound treatment 5.3998 0.681 0.64 5.4562 0.709 0.63 0.903 1.0 3010292 CMLD2_000063 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D02 compound treatment 4.4346 -0.285 -0.27 5.3523 0.605 0.54 0.1914 0.3171 3131705 CMLD2_000064 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D03 compound treatment 6.1308 1.41 1.34 5.6256 0.879 0.78 1.4992 0.9677 3131706 CMLD2_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D04 compound treatment 6.0909 1.37 1.3 5.7026 0.956 0.85 1.5211 0.9792 3010296 CMLD2_000066 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D05 compound treatment 6.3186 1.6 1.51 5.5407 0.794 0.71 1.5713 0.9401 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D06 compound treatment 4.9107 0.191 0.18 4.5708 -0.176 -0.16 0.0171 0.0713 3131707 CMLD2_000068 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D07 compound treatment 4.4403 -0.279 -0.26 4.5005 -0.246 -0.22 -0.3421 -0.9958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D08 compound treatment 6.7244 2.01 1.9 7.5707 2.82 2.52 3.1236 0.9903 3010278 CMLD2_000070 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(ccc45)c6ccc(Br)cc6)CCCc3n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D09 compound treatment 4.1338 -0.585 -0.55 4.8557 0.109 0.1 -0.3232 -0.5745 3010279 CMLD2_000071 CN1CCN(CC(O)CN2CCCc3nc(C)c(C)cc23)CC1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D10 compound treatment 4.6579 -0.0614 -0.06 4.4266 -0.32 -0.29 -0.2431 -0.8338 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D11 mock treatment 5.388 0.669 0.63 4.878 0.131 0.12 0.5304 0.8238 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D12 mock treatment 4.0507 -0.669 -0.63 4.7128 -0.034 -0.03 -0.469 -0.7402 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D13 compound treatment 7.2189 2.5 2.37 7.3463 2.6 2.32 3.3131 0.9999 3010281 CMLD2_000073 Brc1ccc(cc1)C(=O)OC(CCc2ccccc2)C3=CCCCC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D14 compound treatment 4.0963 -0.623 -0.59 4.1233 -0.624 -0.56 -0.8104 -0.9996 3131710 CMLD2_000074 CCOC(=O)CC(C1CCCCC1=O)C(=O)OCC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D15 mock treatment 4.5063 -0.213 -0.2 4.5403 -0.207 -0.18 -0.2729 -0.999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D16 mock treatment 5.0356 0.316 0.3 4.3436 -0.403 -0.36 -0.0427 -0.0911 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D17 compound treatment 3.9813 -0.738 -0.7 4.5806 -0.166 -0.15 -0.5988 -0.8385 3131711 CMLD2_000075 COC(=O)C/C=C/[C@H](C)[C@H](CO)NS(=O)(=O)c1ccc(C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D18 compound treatment 3.5694 -1.15 -1.09 3.9427 -0.804 -0.72 -1.277 -0.9795 3010283 CMLD2_000076 CCCCC#C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D19 compound treatment 3.5441 -1.18 -1.11 3.8147 -0.932 -0.83 -1.3746 -0.9897 3131712 CMLD2_000077 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D20 compound treatment 3.7026 -1.02 -0.96 4.2161 -0.531 -0.47 -1.0154 -0.9467 3010285 CMLD2_000078 COC(=O)[C@@H]1CC[C@@H](C)[C@@H](N1)c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D21 compound treatment 3.7508 -0.968 -0.92 4.2067 -0.54 -0.48 -0.989 -0.9549 3131713 CMLD2_000079 C[C@@H]1Cc2c(CO1)cnc3CCN(C)Cc32 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D22 compound treatment 4.2344 -0.485 -0.46 3.6495 -1.1 -0.98 -1.0169 -0.9404 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D23 compound treatment 4.7558 0.0366 0.03 3.6892 -1.06 -0.94 -0.6428 -0.6807 3010288 CMLD2_000081 COc1cc(cc(OC)c1OC)[C@@H]2N[C@@H](Cc3c2[nH]c4ccccc34)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 D24 compound treatment 4.7129 -0.00633 -0.01 4.7277 -0.0192 -0.02 -0.0163 -0.9013 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E01 mock treatment 5.0412 0.322 0.3 6.3221 1.58 1.41 1.2093 0.8409 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E02 mock treatment 4.1535 -0.566 -0.54 5.0946 0.348 0.31 -0.1593 -0.2573 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E03 compound treatment 5.2153 0.496 0.47 6.7655 2.02 1.8 1.6055 0.8626 3010304 CMLD2_000083 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E04 compound treatment 4.3969 -0.322 -0.31 5.2096 0.463 0.41 0.0762 0.1484 3131716 CMLD2_000084 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E05 compound treatment 5.8902 1.17 1.11 5.7892 1.04 0.93 1.4414 0.9962 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E06 compound treatment 6.0861 1.37 1.29 6.8069 2.06 1.84 2.2145 0.9852 3010306 CMLD2_000086 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E07 compound treatment 5.0649 0.346 0.33 4.3518 -0.395 -0.35 -0.0179 -0.0372 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E08 compound treatment 5.0694 0.35 0.33 5.7703 1.02 0.91 0.88 0.9059 3131719 CMLD2_000088 Brc1ccc(cc1)c2ccc3N(CCCc3n2)C(=O)NCCCN4=CC=NC4c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E09 mock treatment 4.1644 -0.555 -0.53 4.1681 -0.579 -0.52 -0.7365 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E10 mock treatment 4.4279 -0.291 -0.28 4.6555 -0.0914 -0.08 -0.2526 -0.8786 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E11 compound treatment 4.0557 -0.664 -0.63 3.9135 -0.833 -0.74 -0.9699 -0.9965 3010320 CMLD2_000089 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)NCc3cccc4ccccc34)c5ccccc5)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E12 compound treatment 4.8276 0.108 0.1 4.1526 -0.594 -0.53 -0.3024 -0.5599 3131720 CMLD2_000090 CC(C)C(=O)N[C@H]1CCCN1C(=O)/C=C/c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E13 compound treatment 5.0794 0.36 0.34 5.8071 1.06 0.95 0.9099 0.905 3010323 CMLD2_000091 OC(COCc1ccccc1)C2=CCCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E14 compound treatment 4.2226 -0.497 -0.47 3.8688 -0.878 -0.78 -0.8864 -0.9702 3131721 CMLD2_000092 COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3ccccc3O[C@]2([C@@H]1c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E15 compound treatment 3.9863 -0.733 -0.69 3.9644 -0.782 -0.7 -0.9842 -1.0 3010326 CMLD2_000093 COc1cc(O)c(C(=O)/C=C/c2ccc3OCOc3c2)c(OC)c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E16 mock treatment 3.6317 -1.09 -1.03 4.7013 -0.0456 -0.04 -0.7567 -0.7345 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E17 mock treatment 4.0809 -0.638 -0.6 5.1965 0.45 0.4 -0.1436 -0.198 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E18 mock treatment 5.2737 0.554 0.52 4.3837 -0.363 -0.32 0.142 0.2303 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E19 compound treatment 4.027 -0.692 -0.66 4.5205 -0.226 -0.2 -0.6061 -0.884 3131722 CMLD2_000094 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E20 compound treatment 3.8893 -0.83 -0.79 4.6932 -0.0537 -0.05 -0.5894 -0.7488 3131840 CMLD2_000095 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)C(F)(F)F)c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E21 compound treatment 4.4845 -0.235 -0.22 4.7607 0.0138 0.01 -0.1484 -0.6668 3010332 CMLD2_000096 C1Cc2nc(c3ccccc3)c(cc2CN1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E22 compound treatment 4.3052 -0.414 -0.39 4.8645 0.118 0.1 -0.2029 -0.5001 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E23 compound treatment 4.9006 0.181 0.17 4.2307 -0.516 -0.46 -0.2042 -0.4155 3010340 CMLD2_000098 C[C@H]1CC[C@H](N[C@@H]1c2cccc(CC=C)c2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 E24 compound treatment 4.2091 -0.51 -0.48 4.0747 -0.672 -0.6 -0.7655 -0.9942 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F01 mock treatment 5.3448 0.626 0.59 5.3976 0.651 0.58 0.8292 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F02 mock treatment 4.9078 0.189 0.18 5.4891 0.742 0.66 0.5945 0.8668 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F03 compound treatment 5.1144 0.395 0.37 5.8003 1.05 0.94 0.9291 0.9185 3131843 CMLD2_000100 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F04 compound treatment 4.2724 -0.447 -0.42 3.9739 -0.773 -0.69 -0.7867 -0.9725 3010347 CMLD2_000101 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F05 compound treatment 5.5757 0.856 0.81 5.815 1.07 0.95 1.2471 0.9968 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F06 compound treatment 5.383 0.664 0.63 5.6874 0.941 0.84 1.0377 0.9898 3131845 CMLD2_000103 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F07 compound treatment 4.8737 0.154 0.15 5.0372 0.29 0.26 0.2865 0.9634 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F08 compound treatment 6.3354 1.62 1.53 6.8206 2.07 1.85 2.3901 0.9955 3010203 CMLD2_000105 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCc2nc1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F09 mock treatment 4.3196 -0.4 -0.38 4.1529 -0.594 -0.53 -0.6422 -0.9863 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F10 mock treatment 4.4527 -0.266 -0.25 4.4437 -0.303 -0.27 -0.3697 -0.9994 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F11 compound treatment 5.2518 0.533 0.5 5.8408 1.09 0.98 1.0466 0.9528 3011246 CMLD2_000106 C[C@@]12CCC3C(CCc4cc(OCC5CO5)ccc34)C2CC[C@@H]1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F12 compound treatment 3.81 -0.909 -0.86 5.319 0.572 0.51 -0.2477 -0.2475 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F13 compound treatment 4.3852 -0.334 -0.32 4.3587 -0.388 -0.35 -0.4685 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F14 compound treatment 4.2822 -0.437 -0.41 5.056 0.309 0.28 -0.0975 -0.1961 3011248 CMLD2_000109 C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@H]1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F15 compound treatment 4.985 0.266 0.25 5.9935 1.25 1.11 0.9644 0.8457 1946418 CMLD2_000110 Fc1ccc(cc1)C(=O)/C=C/c2ccc3OCOc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F16 compound treatment 4.4197 -0.299 -0.28 4.9677 0.221 0.2 -0.0611 -0.177 3011250 CMLD2_000111 OC(CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)C4=CCCCC4=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F17 mock treatment 4.2081 -0.511 -0.48 4.3465 -0.4 -0.36 -0.5948 -0.9889 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F18 mock treatment 4.801 0.0818 0.08 4.6707 -0.0762 -0.07 0.0067 0.0646 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F19 compound treatment 3.7338 -0.985 -0.93 4.6277 -0.119 -0.11 -0.7348 -0.7826 3131847 CMLD2_000112 C[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F20 compound treatment 4.5687 -0.151 -0.14 4.3006 -0.446 -0.4 -0.3824 -0.904 3131848 CMLD2_000113 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1)c2ccc(Br)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F21 compound treatment 4.3835 -0.336 -0.32 5.5693 0.822 0.73 0.2941 0.3678 3011251 CMLD2_000114 CN1CCc2nc(CO)c(CO)cc2C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F22 compound treatment 4.4079 -0.311 -0.29 4.8784 0.132 0.12 -0.1254 -0.3954 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F23 compound treatment 4.022 -0.697 -0.66 4.6452 -0.102 -0.09 -0.5308 -0.7968 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 F24 compound treatment 3.5818 -1.14 -1.08 3.8006 -0.946 -0.84 -1.3583 -0.9928 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G01 compound treatment 5.6501 0.931 0.88 5.3225 0.576 0.51 0.9862 0.967 3131851 CMLD2_000118 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCN3CCOCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G02 compound treatment 6.8477 2.13 2.01 6.3506 1.6 1.43 2.4365 0.9859 3131852 CMLD2_000119 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G03 mock treatment 5.8133 1.09 1.04 4.6406 -0.106 -0.09 0.6652 0.6397 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G04 mock treatment 5.3812 0.662 0.63 5.3357 0.589 0.53 0.8146 0.9962 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G05 compound treatment 4.8102 0.091 0.09 5.6091 0.862 0.77 0.6049 0.7814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G06 compound treatment 5.288 0.569 0.54 5.75 1.0 0.89 1.0135 0.9704 3131853 CMLD2_000121 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G07 compound treatment 5.2587 0.539 0.51 4.6645 -0.0824 -0.07 0.3091 0.5991 3011254 CMLD2_000122 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OC2CC(CCC3CC(=NO3)CC)OC4(CCCC(COC(=O)NCCC(C)C)O4)C2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G08 compound treatment 2.2349 -2.48 -2.35 2.5668 -2.18 -1.95 -3.0383 -0.9956 3131854 CMLD2_000123 Cc1ccc(cc1)S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G09 compound treatment 4.7815 0.0622 0.06 4.338 -0.409 -0.36 -0.2163 -0.5854 3131855 CMLD2_000124 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)N3CCCCC3)c4ccccc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G10 compound treatment 5.4364 0.717 0.68 4.4501 -0.297 -0.26 0.2928 0.4018 3011255 CMLD2_000125 O[C@H]1C=C(C=C)C2(OCCCO2)[C@H]3O[C@H]31 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G11 compound treatment 5.4003 0.681 0.64 5.0819 0.335 0.3 0.6672 0.9389 3011256 CMLD2_000126 OC(CCc1ccccc1)C2=CCCOC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G12 compound treatment 3.8914 -0.828 -0.78 3.9214 -0.825 -0.74 -1.0749 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G13 compound treatment 5.4215 0.702 0.66 5.0706 0.324 0.29 0.6742 0.9303 3011257 CMLD2_000128 C[C@@H]1CC[C@@H]2N(C[C@H](O)CNC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G14 compound treatment 5.5976 0.878 0.83 5.0761 0.329 0.29 0.7956 0.9023 3131857 CMLD2_000129 CC/C=C\CCC(OC(=O)c1ccc(Br)cc1)C2=CCCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G15 compound treatment 126.7297 122.0 115.49 130.0526 125.0 111.8 160.7206 0.9999 3011258 CMLD2_000130 CON(C)C(=O)c1nnc2c3ccccc3n(c2n1)S(=O)(=O)c4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G16 mock treatment 5.2478 0.529 0.5 4.5894 -0.157 -0.14 0.2545 0.4897 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G17 compound treatment 5.1185 0.399 0.38 5.6892 0.942 0.84 0.8617 0.9349 3131858 CMLD2_000131 COC(=O)C/C=C/[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G18 compound treatment 4.6134 -0.106 -0.1 4.6529 -0.094 -0.08 -0.1301 -0.9961 3131859 CMLD2_000132 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCCCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G19 mock treatment 4.5436 -0.176 -0.17 5.1878 0.441 0.39 0.1606 0.3761 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G20 mock treatment 4.4325 -0.287 -0.27 4.825 0.0782 0.07 -0.1426 -0.5089 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G21 compound treatment 4.9822 0.263 0.25 4.4669 -0.28 -0.25 -6.0E-4 -0.0017 3011259 CMLD2_000133 CN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G22 compound treatment 4.6476 -0.0716 -0.07 4.8094 0.0625 0.06 -0.0085 -0.0966 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G23 compound treatment 5.1938 0.475 0.45 4.7395 -0.00735 -0.01 0.313 0.6967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 G24 compound treatment 4.3987 -0.321 -0.3 4.3167 -0.43 -0.38 -0.486 -0.9932 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H01 compound treatment 6.0715 1.35 1.28 5.5457 0.799 0.71 1.4091 0.9618 3131979 CMLD2_000137 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H02 compound treatment 6.347 1.63 1.54 6.0727 1.33 1.18 1.926 0.9915 3131980 CMLD2_000138 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H03 mock treatment 4.8902 0.171 0.16 5.0098 0.263 0.23 0.2804 0.9836 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H04 mock treatment 5.1374 0.418 0.4 4.1495 -0.597 -0.53 -0.097 -0.1461 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H05 compound treatment 5.296 0.577 0.55 4.7755 0.0287 0.03 0.4041 0.7394 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H06 compound treatment 5.4804 0.761 0.72 5.6125 0.866 0.77 1.0556 0.9994 3131981 CMLD2_000140 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H07 compound treatment 5.0752 0.356 0.34 5.9783 1.23 1.1 1.0151 0.8833 3422360 CMLD2_000141 CCC1=NOC(CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5cccc6OCOc65)C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H08 compound treatment 6.6598 1.94 1.84 7.6806 2.93 2.62 3.1497 0.985 3010278 CMLD2_000142 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(ccc45)c6ccc(Br)cc6)CCCc3n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H09 compound treatment 127.1569 122.0 115.9 140.6 136.0 121.21 167.6607 0.9997 3011262 CMLD2_000143 CON(C)C(=O)c1nnc2c3ccccc3[nH]c2n1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H10 compound treatment 4.9156 0.196 0.19 4.4149 -0.332 -0.3 -0.078 -0.2229 3011263 CMLD2_000144 C/C=C/C1=C(CO)C(=O)[C@@H]2O[C@@H]2C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H11 compound treatment 5.2925 0.573 0.54 5.0012 0.254 0.23 0.5442 0.9252 3011264 CMLD2_000145 CCOC(=O)CC(CC(=O)C)C(=O)OCC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H12 compound treatment 5.0249 0.306 0.29 4.8875 0.141 0.13 0.2933 0.93 3131982 CMLD2_000146 CCOC(=O)C1=NO[C@@]2(C1)C=C(Br)C3(OCCCO3)[C@H]4O[C@H]42 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H13 compound treatment 4.8807 0.161 0.15 4.6429 -0.104 -0.09 0.0424 0.2374 3011265 CMLD2_000147 OC(C1CCCCC1)C2=CCCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H14 compound treatment 5.617 0.898 0.85 5.2605 0.514 0.46 0.9249 0.958 3011266 CMLD2_000148 OC(C1=CCCCC1=O)c2ccc(cc2)[N+](=O)[O-] 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H15 compound treatment 4.7203 0.0011 0.0 5.564 0.817 0.73 0.5163 0.7081 3131983 CMLD2_000149 CC1(C)O[C@H]2OC([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@H]2O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H16 compound treatment 4.3358 -0.383 -0.36 5.0405 0.294 0.26 -0.0714 -0.1596 3011267 CMLD2_000150 COCOc1ccc(Br)cc1C(=O)[C@@H]2O[C@H]2c3cccc(OC)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H17 compound treatment 4.632 -0.0872 -0.08 4.5782 -0.169 -0.15 -0.1648 -0.9601 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H18 compound treatment 5.2008 0.482 0.46 5.4126 0.666 0.59 0.7423 0.9915 3011268 CMLD2_000152 COc1ccc(C#C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H19 mock treatment 4.9134 0.194 0.18 4.2637 -0.483 -0.43 -0.1749 -0.3732 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H20 mock treatment 4.5725 -0.147 -0.14 5.7684 1.02 0.91 0.5462 0.5925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H21 compound treatment 4.686 -0.0332 -0.03 4.9734 0.227 0.2 0.1207 0.5899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H22 compound treatment 4.7821 0.0629 0.06 5.0124 0.266 0.24 0.2096 0.8581 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H23 compound treatment 4.6844 -0.0348 -0.03 5.4893 0.742 0.66 0.445 0.6711 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 H24 compound treatment 4.6892 -0.03 -0.03 5.3569 0.61 0.54 0.3648 0.6693 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I01 compound treatment 4.8663 0.147 0.14 4.6201 -0.127 -0.11 0.0184 0.1027 3131987 CMLD2_000157 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I02 compound treatment 4.0458 -0.673 -0.64 3.1943 -1.55 -1.39 -1.4302 -0.938 3011269 CMLD2_000158 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCc3cccc4ccccc34)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I03 compound treatment 6.2869 1.57 1.48 7.3438 2.6 2.32 2.6877 0.9768 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I04 compound treatment 4.6799 -0.0394 -0.04 5.251 0.504 0.45 0.2917 0.6463 3011270 CMLD2_000160 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I05 mock treatment 5.5402 0.821 0.78 4.6766 -0.0703 -0.06 0.5052 0.6479 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I06 mock treatment 4.925 0.206 0.19 4.6716 -0.0753 -0.07 0.0903 0.438 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I07 compound treatment 5.709 0.99 0.94 5.6679 0.921 0.82 1.2436 0.9979 3422373 CMLD2_000161 CCC1=NOC(CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5cccc6OCOc65)C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I08 compound treatment 4.275 -0.444 -0.42 4.5291 -0.218 -0.19 -0.4348 -0.9385 3011271 CMLD2_000162 COC(=O)NC/C=C\c1nc(CCCO)co1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I09 compound treatment 4.9851 0.266 0.25 5.1414 0.395 0.35 0.4269 0.9865 3131989 CMLD2_000163 CCCC[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I10 compound treatment 4.8232 0.104 0.1 4.6508 -0.0961 -0.09 0.009 0.0686 3011272 CMLD2_000164 CO[C@@H]1[C@@H](C)/C(=C\CC(=O)OC)/c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I11 compound treatment 4.5495 -0.17 -0.16 4.6548 -0.0921 -0.08 -0.1717 -0.9515 3131990 CMLD2_000165 CC(=NOCc1ccc(cc1)c2cc(no2)c3ccccc3)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I12 compound treatment 5.2869 0.568 0.54 4.8407 0.0938 0.08 0.4392 0.8075 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I13 compound treatment 4.6934 -0.0259 -0.02 4.8773 0.13 0.12 0.065 0.5463 3011273 CMLD2_000167 C=CC(=O)N1C(=O)c2ccccc2S1(=O)=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I14 compound treatment 7.3881 2.67 2.53 7.1676 2.42 2.16 3.3136 0.997 3131992 CMLD2_000168 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C#Cc3ccccc3)cc2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I15 compound treatment 5.3902 0.671 0.64 4.9514 0.204 0.18 0.5781 0.8749 3011274 CMLD2_000169 CC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I16 mock treatment 5.489 0.77 0.73 4.5351 -0.212 -0.19 0.3816 0.5069 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I17 compound treatment 3.7008 -1.02 -0.96 4.0103 -0.737 -0.66 -1.1464 -0.9825 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I18 compound treatment 4.8127 0.0935 0.09 4.7908 0.0439 0.04 0.0903 0.9328 3011312 CMLD2_000171 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCCc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I19 compound treatment 4.6444 -0.0748 -0.07 4.3732 -0.374 -0.33 -0.2858 -0.8385 3131989 CMLD2_000172 CCCC[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I20 compound treatment 4.4994 -0.22 -0.21 4.8565 0.11 0.1 -0.078 -0.3394 3011257 CMLD2_000173 C[C@@H]1CC[C@@H]2N(C[C@H](O)CNC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I21 mock treatment 4.3438 -0.375 -0.36 4.9626 0.216 0.19 -0.1152 -0.2851 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I22 mock treatment 4.1631 -0.556 -0.53 4.2713 -0.476 -0.42 -0.6723 -0.9943 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I23 compound treatment 4.7886 0.0694 0.07 4.8365 0.0896 0.08 0.103 0.9952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 I24 compound treatment 4.4358 -0.283 -0.27 4.8033 0.0564 0.05 -0.1542 -0.5647 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J01 compound treatment 4.1036 -0.616 -0.58 4.1166 -0.63 -0.56 -0.8097 -0.9998 3132112 CMLD2_000176 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J02 compound treatment 5.3782 0.659 0.62 6.4208 1.67 1.49 1.4971 0.925 3011347 CMLD2_000177 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J03 compound treatment 5.7775 1.06 1.0 5.0887 0.342 0.31 0.924 0.8824 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J04 compound treatment 3.9694 -0.75 -0.71 3.962 -0.785 -0.7 -0.997 -1.0 3132114 CMLD2_000179 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J05 mock treatment 4.7737 0.0545 0.05 4.6762 -0.0707 -0.06 -0.0081 -0.0997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J06 mock treatment 4.7342 0.0149 0.01 5.4304 0.684 0.61 0.4412 0.7233 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J07 compound treatment 5.1797 0.461 0.44 4.6456 -0.101 -0.09 0.2444 0.5489 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J08 compound treatment 5.7296 1.01 0.96 4.5057 -0.241 -0.22 0.5242 0.5347 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J09 compound treatment 5.0868 0.368 0.35 5.1049 0.358 0.32 0.4719 0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J10 compound treatment 4.8929 0.174 0.16 5.1169 0.37 0.33 0.3497 0.9481 3132116 CMLD2_000183 CO[C@@H](C(C)C)[C@@H](C)C1OC(=O)CC1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J11 compound treatment 4.099 -0.62 -0.59 4.2201 -0.527 -0.47 -0.7475 -0.9939 3132117 CMLD2_000184 COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@](Oc3ccccc3C1=O)(C(=O)OC)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J12 compound treatment 5.5417 0.822 0.78 4.8303 0.0834 0.07 0.6032 0.7712 3011350 CMLD2_000185 CC(=NOCc1cccc(c1)c2cc(no2)c3ccccc3)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J13 compound treatment 4.5964 -0.123 -0.12 4.217 -0.53 -0.47 -0.4165 -0.8555 3132118 CMLD2_000186 CC(C)C(=O)N[C@@H]1CCCN1C(=O)/C=C/c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J14 compound treatment 6.1575 1.44 1.36 5.3534 0.607 0.54 1.3454 0.9183 3011352 CMLD2_000187 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C=C)cc2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J15 compound treatment 5.4681 0.749 0.71 5.1562 0.409 0.37 0.7594 0.9524 3132119 CMLD2_000188 CO[C@H](CO)COc1ccc(OC)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J16 compound treatment 6.0139 1.29 1.23 5.7167 0.97 0.87 1.4784 0.9855 3011353 CMLD2_000189 Oc1ccccc1C(=O)/C=C/c2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J17 compound treatment 4.8139 0.0947 0.09 4.795 0.0481 0.04 0.0937 0.9432 3132120 CMLD2_000190 CC(=NOCc1ccc(cc1)c2cn(nn2)[C@@H]3COC[C@H]3O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J18 compound treatment 4.6505 -0.0687 -0.07 4.4091 -0.338 -0.3 -0.2591 -0.8403 3011354 CMLD2_000191 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CC(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J19 compound treatment 4.9319 0.213 0.2 4.424 -0.323 -0.29 -0.0613 -0.1745 3132121 CMLD2_000192 C[C@@H]1CC[C@@H]2N(CC(COCC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J20 compound treatment 4.6776 -0.0417 -0.04 4.5155 -0.231 -0.21 -0.1738 -0.8272 3011355 CMLD2_000193 CC(C)CCN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J21 mock treatment 4.9831 0.264 0.25 4.5164 -0.23 -0.21 0.0313 0.0966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J22 mock treatment 4.1231 -0.596 -0.56 6.0526 1.31 1.17 0.4248 0.3282 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J23 compound treatment 4.2016 -0.518 -0.49 4.268 -0.479 -0.43 -0.6486 -0.9977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 J24 compound treatment 4.6285 -0.0907 -0.09 4.8202 0.0733 0.07 -0.0144 -0.1338 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K01 compound treatment 7.8567 3.14 2.97 6.1592 1.41 1.26 2.9911 0.9271 3132124 CMLD2_000196 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K02 compound treatment 4.9826 0.263 0.25 5.4484 0.702 0.63 0.6189 0.9186 3011357 CMLD2_000197 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K03 compound treatment 5.2173 0.498 0.47 5.1988 0.452 0.4 0.6185 0.997 3132125 CMLD2_000198 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K04 compound treatment 6.6652 1.95 1.84 6.0738 1.33 1.18 2.1397 0.9772 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K05 compound treatment 5.836 1.12 1.06 6.1063 1.36 1.21 1.6051 0.9977 3011359 CMLD2_000200 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K06 compound treatment 5.2147 0.496 0.47 5.5922 0.845 0.75 0.865 0.9739 3132127 CMLD2_000201 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K07 mock treatment 4.4403 -0.279 -0.26 4.8041 0.0572 0.05 -0.1506 -0.5601 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K08 mock treatment 5.0367 0.317 0.3 4.8769 0.13 0.12 0.2945 0.9143 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K09 compound treatment 4.5587 -0.161 -0.15 4.456 -0.291 -0.26 -0.2909 -0.9675 3011360 CMLD2_000202 COc1cccc(c1)[C@H](O)Cn2cc(nn2)c3ccc(CON=C(C)C)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K10 compound treatment 5.4176 0.698 0.66 5.466 0.719 0.64 0.9212 0.9999 3132128 CMLD2_000203 Cc1ccc2[nH]c3nc(CCCn4ccnc4c5ccccc5)nnc3c2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K11 compound treatment 4.4449 -0.274 -0.26 4.5649 -0.182 -0.16 -0.2985 -0.9744 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K12 compound treatment 2.1992 -2.52 -2.39 2.1043 -2.64 -2.36 -3.354 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K13 compound treatment 5.0071 0.288 0.27 4.5241 -0.223 -0.2 0.0521 0.1546 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K14 compound treatment 154.9 150.0 142.16 151.7879 147.0 131.19 193.2887 0.9992 3011258 CMLD2_000207 CON(C)C(=O)c1nnc2c3ccccc3n(c2n1)S(=O)(=O)c4ccc(C)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K15 mock treatment 5.0365 0.317 0.3 5.7038 0.957 0.85 0.816 0.9017 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K16 mock treatment 5.3117 0.593 0.56 5.1933 0.446 0.4 0.6783 0.9859 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K17 compound treatment 11.4205 6.7 6.34 9.4033 4.66 4.15 7.4231 0.9789 3132248 CMLD2_000208 CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C53OCCCO5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K18 compound treatment 5.7634 1.04 0.99 4.2783 -0.469 -0.42 0.4032 0.3757 3011363 CMLD2_000209 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K19 compound treatment 5.8807 1.16 1.1 5.2692 0.522 0.47 1.107 0.927 3132249 CMLD2_000210 C[C@@H]1CC[C@@H]2N(CC(COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K20 compound treatment 4.9507 0.231 0.22 5.4641 0.717 0.64 0.6074 0.898 3011399 CMLD2_000211 CCCCc1nc2CCN(CCC(C)C)Cc2c3CO[C@@H](C)Cc13 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K21 compound treatment 5.0141 0.295 0.28 4.5047 -0.242 -0.22 0.0445 0.1262 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K22 compound treatment 4.8893 0.17 0.16 4.6911 -0.0558 -0.05 0.0786 0.4667 3011400 CMLD2_000213 C[C@@H]1CC[C@H](N[C@H]1c2ccc(cc2)c3ccco3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K23 mock treatment 4.3693 -0.35 -0.33 4.7972 0.0503 0.04 -0.2024 -0.6057 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 K24 mock treatment 4.5307 -0.189 -0.18 5.0554 0.308 0.28 0.0684 0.2086 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L01 compound treatment 5.9948 1.28 1.21 6.0389 1.29 1.15 1.669 0.9997 3132251 CMLD2_000214 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L02 compound treatment 2.3558 -2.36 -2.24 2.2907 -2.46 -2.19 -3.1316 -0.9999 3132252 CMLD2_000215 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L03 compound treatment 5.4536 0.734 0.7 6.1552 1.41 1.26 1.3801 0.961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L04 compound treatment 5.1267 0.407 0.39 4.792 0.0451 0.04 0.3012 0.7767 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L05 compound treatment 5.2857 0.566 0.54 5.5841 0.837 0.75 0.9074 0.9868 3132254 CMLD2_000218 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L06 compound treatment 4.897 0.178 0.17 5.5364 0.79 0.7 0.6171 0.852 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L07 mock treatment 5.0133 0.294 0.28 4.5127 -0.234 -0.21 0.0491 0.1412 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L08 mock treatment 5.117 0.398 0.38 4.6595 -0.0874 -0.08 0.2111 0.549 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L09 compound treatment 5.5318 0.813 0.77 5.0676 0.321 0.29 0.7462 0.9093 3132255 CMLD2_000220 C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@@H]1O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L10 compound treatment 7.5043 2.79 2.64 7.0762 2.33 2.08 3.3337 0.9931 3132256 CMLD2_000221 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(C)c(C)cc45)CCCc3n2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L11 compound treatment 4.9046 0.185 0.18 4.5937 -0.153 -0.14 0.0274 0.1233 3011404 CMLD2_000222 CCOC(=O)C1=NO[C@]2(C1)C=C(Br)C3(OCCCO3)[C@H]4O[C@H]42 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L12 compound treatment 4.166 -0.553 -0.52 4.1127 -0.634 -0.57 -0.7704 -0.9993 3011405 CMLD2_000223 OC(CCc1ccccc1)C2=CCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L13 compound treatment 4.8209 0.102 0.1 5.3053 0.558 0.5 0.4204 0.8284 3132257 CMLD2_000224 OC(CCc1ccccc1)C23OC3CCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L14 compound treatment 4.7876 0.0684 0.06 4.5185 -0.228 -0.2 -0.0983 -0.4599 3132258 CMLD2_000225 CCCNC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L15 mock treatment 4.6734 -0.0458 -0.04 5.2653 0.518 0.46 0.2964 0.638 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L16 mock treatment 4.8475 0.128 0.12 4.7325 -0.0143 -0.01 0.0768 0.6292 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L17 compound treatment 5.979 1.26 1.19 5.5145 0.768 0.68 1.3275 0.9653 3011407 CMLD2_000226 C[C@H]1CC[C@@H]2N([C@@H]1c3ccccc3)C(=O)[C@@H](Cc4ccccc4)NC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L18 compound treatment 4.5699 -0.149 -0.14 4.4547 -0.292 -0.26 -0.2843 -0.9587 3132259 CMLD2_000227 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L19 compound treatment 5.4545 0.735 0.7 5.7293 0.982 0.88 1.112 0.9935 3132260 CMLD2_000228 C[C@@H]1CC[C@@H]2N(CC(CN3C(=O)c4ccccc4C3=O)OC2=O)[C@H]1c5ccc(Br)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L20 compound treatment 5.615 0.896 0.85 3.8719 -0.875 -0.78 0.0476 0.0413 3011408 CMLD2_000229 CC(C)CCN1CCc2nc(COc3ccccc3)c4C[C@H](C)OCc4c2C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L21 compound treatment 4.75 0.0308 0.03 4.0761 -0.671 -0.6 -0.4026 -0.6719 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L22 compound treatment 4.211 -0.508 -0.48 4.0276 -0.719 -0.64 -0.794 -0.9899 3011409 CMLD2_000231 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C#CCN(C)C)cc2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L23 mock treatment 5.1966 0.477 0.45 4.3582 -0.389 -0.35 0.0744 0.1305 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 L24 mock treatment 4.3895 -0.33 -0.31 4.4393 -0.308 -0.27 -0.4147 -0.9979 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M01 compound treatment 6.1589 1.44 1.36 6.3071 1.56 1.39 1.9479 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M02 compound treatment 5.8792 1.16 1.1 5.9589 1.21 1.08 1.541 1.0 3132263 CMLD2_000233 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M03 compound treatment 5.1806 0.461 0.44 5.5361 0.789 0.7 0.8067 0.9736 3011410 CMLD2_000234 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M04 compound treatment 3.8123 -0.907 -0.86 5.3702 0.623 0.56 -0.2138 -0.209 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M05 compound treatment 5.4179 0.699 0.66 6.1919 1.45 1.29 1.3793 0.9519 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M06 compound treatment 4.4191 -0.3 -0.28 4.9959 0.249 0.22 -0.0438 -0.1214 3011411 CMLD2_000237 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M07 compound treatment 3.9584 -0.761 -0.72 4.462 -0.285 -0.25 -0.6889 -0.9021 3132266 CMLD2_000238 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccncc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M08 compound treatment 5.2328 0.514 0.49 4.9303 0.183 0.16 0.4595 0.8958 3011412 CMLD2_000239 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)C(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M09 mock treatment 5.0059 0.287 0.27 4.8311 0.0842 0.08 0.245 0.8702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M10 mock treatment 5.4003 0.681 0.64 4.2764 -0.47 -0.42 0.1591 0.2068 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M11 compound treatment 5.0078 0.289 0.27 4.1821 -0.565 -0.5 -0.1631 -0.2846 3132389 CMLD2_000240 COC(=O)C/C=C/[C@@H](C)[C@H]1O[C@H](CO)[C@@H](O)C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M12 compound treatment 4.7975 0.0783 0.07 5.0162 0.269 0.24 0.2224 0.8841 3011413 CMLD2_000241 O=C1CCCC(C1)C2=CCCCC2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M13 mock treatment 4.8956 0.176 0.17 4.3636 -0.383 -0.34 -0.1237 -0.3252 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M14 mock treatment 4.597 -0.122 -0.12 5.0423 0.295 0.26 0.1045 0.3632 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M15 compound treatment 6.0322 1.31 1.24 6.9845 2.24 2.0 2.2905 0.974 3132390 CMLD2_000242 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCCc2nc1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M16 compound treatment 4.8981 0.179 0.17 4.8064 0.0595 0.05 0.1573 0.8863 3011415 CMLD2_000243 CCO[C@@H]([C@H](C)/C=C/CC(=O)OC)c1cc(OC)cc([N+](=O)[O-])c1OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M17 mock treatment 5.6762 0.957 0.91 5.0251 0.278 0.25 0.8161 0.8689 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M18 compound treatment 5.7602 1.04 0.99 5.5983 0.851 0.76 1.2339 0.9917 3132391 CMLD2_000244 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCC2CCCCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M19 compound treatment 4.8021 0.0829 0.08 4.411 -0.336 -0.3 -0.1564 -0.505 3132392 CMLD2_000245 C[C@@H]1CC[C@@H]2N(CC(Cc3ccccc3)OC2=O)[C@H]1c4ccc(Br)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M20 compound treatment 4.6905 -0.0287 -0.03 4.5479 -0.199 -0.18 -0.1447 -0.8059 3011466 CMLD2_000246 COc1ccc(cc1)c2nc3CCN(CCC(C)C)Cc3c4CO[C@@H](C)Cc24 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M21 compound treatment 4.6261 -0.0931 -0.09 5.2346 0.488 0.44 0.2454 0.5526 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M22 compound treatment 4.9296 0.21 0.2 5.0057 0.259 0.23 0.3041 0.9973 3011467 CMLD2_000248 C[C@H]1CC[C@H](N[C@@H]1c2cccc(c2)N3CCCC3=O)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M23 compound treatment 4.4957 -0.223 -0.21 4.6232 -0.124 -0.11 -0.2276 -0.954 3132394 CMLD2_000249 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(Br)cc3)C(=O)[C@@H]4CCCN4C2=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 M24 compound treatment 4.8919 0.173 0.16 4.5915 -0.155 -0.14 0.0176 0.0819 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N01 compound treatment 5.8948 1.18 1.11 6.395 1.65 1.47 1.8266 0.9905 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N02 compound treatment 5.6302 0.911 0.86 5.6399 0.893 0.8 1.1732 0.9992 3132396 CMLD2_000252 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N03 compound treatment 4.6161 -0.103 -0.1 5.7821 1.04 0.92 0.5841 0.6288 3011471 CMLD2_000253 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N04 compound treatment 5.5067 0.788 0.75 5.1056 0.359 0.32 0.7534 0.9287 3132397 CMLD2_000254 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOC)O3)O2)OC(=O)NCCc4ccc(F)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N05 compound treatment 5.124 0.405 0.38 6.0709 1.32 1.18 1.1062 0.8908 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N06 compound treatment 3.7674 -0.952 -0.9 4.0893 -0.658 -0.59 -1.052 -0.9784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N07 compound treatment 6.5049 1.79 1.69 5.067 0.32 0.29 1.3972 0.815 3132399 CMLD2_000257 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccc5OCOc5c4)O3)O2)OC(=O)NCc6cccc7ccccc67 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N08 compound treatment 35.6515 30.9 29.28 50.5638 45.8 40.88 49.6096 0.9866 3011473 CMLD2_000258 Cc1ccc(cc1)S(=O)(=O)n2c3ccccc3c4nnc(nc24)C(=O)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N09 mock treatment 5.3413 0.622 0.59 4.7363 -0.0106 -0.01 0.4097 0.6957 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N10 mock treatment 4.1729 -0.546 -0.52 5.1282 0.381 0.34 -0.1251 -0.2021 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N11 compound treatment 5.9846 1.27 1.2 5.0508 0.304 0.27 1.0387 0.8458 3011475 CMLD2_000259 BrC1=CC(=C)[C@@H]2O[C@@H]2C31OCCCO3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N12 compound treatment 3.6317 -1.09 -1.03 3.4884 -1.26 -1.12 -1.5219 -0.9991 3132400 CMLD2_000260 CCCCOC(OCCCC)C(O)CSc1ccc2ccccc2c1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N13 mock treatment 4.2206 -0.499 -0.47 4.6096 -0.137 -0.12 -0.4203 -0.8621 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N14 mock treatment 4.4333 -0.286 -0.27 4.977 0.23 0.21 -0.0462 -0.136 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N15 compound treatment 7.0535 2.33 2.21 8.0035 3.26 2.91 3.617 0.9909 3011477 CMLD2_000261 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N16 compound treatment 5.1213 0.402 0.38 6.2904 1.54 1.38 1.2429 0.8699 3132401 CMLD2_000262 CO[C@@H](C(C)C)[C@@H](C)C1OC1CC(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N17 compound treatment 4.687 -0.0323 -0.03 4.9831 0.236 0.21 0.1275 0.5984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N18 compound treatment 4.1934 -0.526 -0.5 4.9659 0.219 0.2 -0.2138 -0.3998 3011479 CMLD2_000264 CCCCC#C[C@H]1O[C@H](COC(=O)OCC)[C@@H](Oc2cc(OC)c(OC)c(OC)c2)C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N19 compound treatment 4.7989 0.0797 0.08 5.3883 0.641 0.57 0.458 0.7934 3132403 CMLD2_000265 C[C@H]1CC[C@@H]2N(CC(COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N20 compound treatment 4.8063 0.0871 0.08 5.495 0.748 0.67 0.5303 0.7885 3011480 CMLD2_000266 C[C@H]1Cc2c(nc3CCN(CCOc4ccccc4)Cc3c2CO1)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N21 compound treatment 4.3143 -0.405 -0.38 4.6015 -0.145 -0.13 -0.3627 -0.8964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N22 compound treatment 4.9662 0.247 0.23 5.3794 0.633 0.56 0.5644 0.9239 3011481 CMLD2_000268 C[C@@H]1CC[C@H](N[C@H]1c2ccc(NC(=O)C)cc2)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N23 compound treatment 4.9809 0.262 0.25 4.558 -0.189 -0.17 0.056 0.1868 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 N24 compound treatment 4.9491 0.23 0.22 4.5298 -0.217 -0.19 0.0169 0.0581 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O01 compound treatment 4.6294 -0.0899 -0.09 4.7274 -0.0195 -0.02 -0.0725 -0.8345 3132406 CMLD2_000271 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCc3cccc4ccccc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O02 compound treatment 4.9733 0.254 0.24 6.4727 1.73 1.54 1.2589 0.8078 3132407 CMLD2_000272 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCc6ccc7OCOc7c6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O03 compound treatment 4.6422 -0.077 -0.07 4.5819 -0.165 -0.15 -0.1556 -0.9475 3011482 CMLD2_000273 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O04 compound treatment 4.2414 -0.478 -0.45 4.1564 -0.59 -0.53 -0.6924 -0.9971 3132527 CMLD2_000274 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O05 compound treatment 4.5955 -0.124 -0.12 4.7418 -0.0051 0.0 -0.0861 -0.734 3011483 CMLD2_000275 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O06 compound treatment 3.7968 -0.922 -0.87 4.0866 -0.66 -0.59 -1.034 -0.9817 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O07 compound treatment 4.2548 -0.464 -0.44 4.1591 -0.588 -0.52 -0.6817 -0.9962 3011485 CMLD2_000277 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3cccc(c3)C(F)(F)F 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O08 compound treatment 4.1456 -0.574 -0.54 3.6256 -1.12 -1.0 -1.0914 -0.9588 3132529 CMLD2_000278 CCCC[C@@H]1CN2[C@@H]([C@@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O09 compound treatment 4.7042 -0.015 -0.01 4.4389 -0.308 -0.27 -0.2044 -0.7427 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O10 compound treatment 8.8368 4.12 3.9 11.3211 6.57 5.87 6.9037 0.9803 3132530 CMLD2_000280 OC(CCCCBr)C1=CCCCC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O11 mock treatment 4.3558 -0.363 -0.34 4.0905 -0.656 -0.59 -0.6574 -0.9678 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O12 mock treatment 3.9575 -0.762 -0.72 3.9261 -0.821 -0.73 -1.0277 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O13 compound treatment 3.742 -0.977 -0.93 4.5972 -0.15 -0.13 -0.7486 -0.8009 3132531 CMLD2_000281 COC(=O)C/C=C/[C@H](C)[C@@H](OCc1ccccc1Br)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O14 compound treatment 15.1842 10.5 9.91 13.7778 9.03 8.06 12.7021 0.9947 3011535 CMLD2_000282 COCOc1cc(OC)ccc1C(=O)/C=C/c2ccc3OCOc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O15 compound treatment 9.827 5.11 4.83 9.3736 4.63 4.13 6.3378 0.9969 3132532 CMLD2_000283 Nc1ccccc1C(=O)/C=C/c2ccc3OCOc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O16 compound treatment 3.2507 -1.47 -1.39 3.4364 -1.31 -1.17 -1.8097 -0.9963 3131858 CMLD2_000284 COC(=O)C/C=C/[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O17 mock treatment 3.9393 -0.78 -0.74 3.8 -0.947 -0.84 -1.1194 -0.9977 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O18 compound treatment 3.8577 -0.862 -0.82 4.0778 -0.669 -0.6 -0.9988 -0.9882 3011536 CMLD2_000285 OC[C@H]1O[C@@H](C=C[C@@H]1O)C#Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O19 compound treatment 4.151 -0.568 -0.54 4.3418 -0.405 -0.36 -0.6359 -0.9813 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O20 compound treatment 3.8532 -0.866 -0.82 3.8265 -0.92 -0.82 -1.1603 -1.0 3011537 CMLD2_000287 C[C@H]1Cc2c(COc3ccccc3)nc4CCN(CCOc5ccccc5)Cc4c2CO1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O21 compound treatment 2.6803 -2.04 -1.93 2.7747 -1.97 -1.76 -2.6089 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O22 compound treatment 3.3128 -1.41 -1.33 3.4039 -1.34 -1.2 -1.7887 -0.9986 3011538 CMLD2_000289 C[C@@H]1CC[C@H](N[C@H]1c2cccc(c2)N3CCOCC3)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O23 compound treatment 1.5917 -3.13 -2.96 1.5269 -3.22 -2.87 -4.1248 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 O24 compound treatment 3.7028 -1.02 -0.96 3.8862 -0.861 -0.77 -1.2233 -0.9938 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P01 compound treatment 4.4342 -0.285 -0.27 5.3091 0.562 0.5 0.1639 0.2878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P02 compound treatment 4.3147 -0.405 -0.38 4.6578 -0.0891 -0.08 -0.327 -0.8361 3132537 CMLD2_000293 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P03 compound treatment 4.0836 -0.636 -0.6 4.6238 -0.123 -0.11 -0.5031 -0.8226 3011540 CMLD2_000294 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P04 compound treatment 3.4455 -1.27 -1.21 3.0815 -1.67 -1.49 -1.9032 -0.9946 3132538 CMLD2_000295 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCCc5ccc(F)cc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P05 compound treatment 4.4175 -0.302 -0.29 5.1193 0.372 0.33 0.033 0.0753 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P06 compound treatment 4.7396 0.0203 0.02 4.1323 -0.615 -0.55 -0.3741 -0.6819 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P07 compound treatment 4.0588 -0.66 -0.63 3.5473 -1.2 -1.07 -1.1989 -0.9672 3011542 CMLD2_000298 CCN(CC)CC(O)CN1CCCCc2nc(C)c(C)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P08 compound treatment 3.5675 -1.15 -1.09 3.7849 -0.962 -0.86 -1.3778 -0.993 3131847 CMLD2_000299 C[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P09 compound treatment 3.292 -1.43 -1.35 2.7949 -1.95 -1.74 -2.1868 -0.9921 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P10 compound treatment 3.0524 -1.67 -1.58 3.2431 -1.5 -1.34 -2.0644 -0.9967 3011543 CMLD2_000301 COCOc1ccc(Br)cc1C(=O)/C=C/c2ccc3OCOc3c2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P11 mock treatment 4.1964 -0.523 -0.49 3.9049 -0.842 -0.75 -0.8811 -0.9795 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P12 mock treatment 3.9473 -0.772 -0.73 4.6497 -0.0971 -0.09 -0.578 -0.7855 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P13 compound treatment 4.0487 -0.671 -0.63 4.8142 0.0673 0.06 -0.4064 -0.6373 3132541 CMLD2_000302 COC(OC)[C@@H](C)[C@H](OC)[C@@H](C)[C@H](OC)c1ccccc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P14 compound treatment 3.379 -1.34 -1.27 4.4648 -0.282 -0.25 -1.0751 -0.8312 3011544 CMLD2_000303 CC(C)c1ccc(C)n1C(=O)OC(C)(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P15 compound treatment 3.725 -0.994 -0.94 4.5655 -0.181 -0.16 -0.7799 -0.8167 3011545 CMLD2_000304 Brc1ccc(cc1)[C@@H]2OC(=O)C[C@@H]2c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P16 compound treatment 2.5294 -2.19 -2.07 2.8261 -1.92 -1.71 -2.6776 -0.9955 3132542 CMLD2_000305 COC(=O)[C@H]1[C@@H](C(=O)[C@]2(O)c3ccccc3O[C@@]12c4ccccc4)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P17 mock treatment 4.1038 -0.615 -0.58 3.7014 -1.05 -0.93 -1.0715 -0.9743 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P18 compound treatment 3.6188 -1.1 -1.04 3.7106 -1.04 -0.92 -1.3904 -0.9982 3132543 CMLD2_000306 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/c3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P19 compound treatment 4.1087 -0.611 -0.58 4.1814 -0.565 -0.5 -0.7654 -0.9977 3011546 CMLD2_000307 C[C@@H]1CCC2N(C[C@H](O)CN(Cc3ccccc3)C2=O)[C@H]1c4ccc(Br)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P20 compound treatment 3.47 -1.25 -1.18 3.6086 -1.14 -1.02 -1.5543 -0.9971 3132544 CMLD2_000308 CCCCc1nc2CCN(CCOc3ccccc3)Cc2c4CO[C@@H](C)Cc14 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P21 compound treatment 4.2859 -0.433 -0.41 4.018 -0.729 -0.65 -0.7499 -0.9753 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P22 compound treatment 3.5349 -1.18 -1.12 3.874 -0.873 -0.78 -1.3434 -0.9842 3011547 CMLD2_000310 COCC#Cc1ccc(cc1)[C@@H]2N[C@@H](CC[C@H]2C)C(=O)O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P23 compound treatment 3.3451 -1.37 -1.3 4.2869 -0.46 -0.41 -1.2099 -0.8871 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2109 P24 compound treatment 3.2456 -1.47 -1.39 3.5104 -1.24 -1.1 -1.7664 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A01 compound treatment 4.36 0.0125 0.01 5.1837 0.342 0.3 0.224 0.734 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A02 compound treatment 4.8781 0.531 0.5 5.5729 0.731 0.65 0.8162 0.9917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A03 compound treatment 5.7189 1.37 1.3 4.3085 -0.534 -0.48 0.5813 0.4204 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A04 compound treatment 5.1099 0.762 0.72 5.0351 0.193 0.17 0.6321 0.852 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A05 compound treatment 5.0593 0.712 0.67 4.8915 0.0495 0.04 0.5076 0.7518 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A06 compound treatment 6.0342 1.69 1.6 5.867 1.03 0.91 1.7756 0.965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A07 compound treatment 4.9677 0.62 0.59 5.0528 0.211 0.19 0.5481 0.8891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A08 compound treatment 5.3153 0.968 0.92 4.9969 0.155 0.14 0.7455 0.8047 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A09 compound treatment 4.6376 0.29 0.27 4.7274 -0.115 -0.1 0.1218 0.4158 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A10 compound treatment 4.447 0.0994 0.09 4.7312 -0.111 -0.1 -0.0034 -0.0246 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A11 compound treatment 4.6649 0.317 0.3 4.5166 -0.325 -0.29 0.0071 0.017 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A12 compound treatment 3.7081 -0.639 -0.61 4.2772 -0.565 -0.5 -0.7843 -0.9959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A13 mock treatment 4.001 -0.347 -0.33 5.1623 0.32 0.29 -0.0299 -0.0688 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A14 mock treatment 4.7433 0.396 0.37 5.1987 0.357 0.32 0.4899 0.9967 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A15 compound treatment 4.844 0.496 0.47 4.6218 -0.22 -0.2 0.1934 0.3796 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A16 compound treatment 4.4129 0.0653 0.06 5.3341 0.492 0.44 0.3542 0.7988 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A17 compound treatment 19.4878 15.1 14.33 6.9799 2.14 1.91 11.4828 0.7942 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A18 compound treatment 5.1498 0.802 0.76 5.0042 0.162 0.14 0.6393 0.827 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A19 compound treatment 4.7348 0.387 0.37 5.2006 0.359 0.32 0.4855 0.9977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A20 compound treatment 2.1439 -2.2 -2.09 1.6538 -3.19 -2.84 -3.4864 -0.9884 3010882 CMLD2_000330 C[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H](C)NC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A21 compound treatment 4.2794 -0.0681 -0.06 4.0997 -0.742 -0.66 -0.5139 -0.7723 3130480 CMLD2_000331 C[C@H]/1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C\C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A22 compound treatment 4.7909 0.443 0.42 4.2803 -0.562 -0.5 -0.0576 -0.0881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A23 compound treatment 4.4385 0.0909 0.09 5.1195 0.277 0.25 0.2359 0.9001 3130481 CMLD2_000333 CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 A24 compound treatment 4.4244 0.0768 0.07 4.3257 -0.516 -0.46 -0.2743 -0.5882 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B01 compound treatment 4.5538 0.206 0.2 5.5774 0.735 0.66 0.602 0.8794 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B02 compound treatment 4.2349 -0.113 -0.11 5.5925 0.751 0.67 0.3981 0.5871 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B03 compound treatment 5.2151 0.868 0.82 4.962 0.12 0.11 0.6564 0.7926 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B04 compound treatment 4.8259 0.478 0.45 5.4808 0.639 0.57 0.7232 0.9935 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B05 compound treatment 4.5032 0.156 0.15 5.3225 0.481 0.43 0.4074 0.8986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B06 compound treatment 4.7791 0.432 0.41 4.5714 -0.271 -0.24 0.1182 0.249 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B07 compound treatment 4.7048 0.357 0.34 5.4972 0.655 0.58 0.6524 0.9661 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B08 compound treatment 5.1699 0.822 0.78 5.1059 0.264 0.24 0.7169 0.8815 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B09 compound treatment 4.0937 -0.254 -0.24 5.293 0.451 0.4 0.1146 0.2446 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B10 compound treatment 4.6635 0.316 0.3 5.4568 0.615 0.55 0.5994 0.9593 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B11 compound treatment 4.3762 0.0287 0.03 3.9895 -0.852 -0.76 -0.5186 -0.6814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B12 compound treatment 5.0836 0.736 0.7 4.4218 -0.42 -0.37 0.2276 0.2876 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B13 mock treatment 4.0886 -0.259 -0.25 5.1509 0.309 0.28 0.0216 0.0584 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B14 mock treatment 4.8429 0.495 0.47 4.8163 -0.0257 -0.02 0.3153 0.6717 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B15 compound treatment 6.5136 2.17 2.05 6.78 1.94 1.73 2.6724 0.9964 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B16 compound treatment 5.0726 0.725 0.69 5.2649 0.423 0.38 0.7522 0.9603 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B17 compound treatment 2.6122 -1.74 -1.64 2.515 -2.33 -2.08 -2.6296 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B18 compound treatment 4.0661 -0.281 -0.27 4.9894 0.147 0.13 -0.0954 -0.321 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B19 compound treatment 4.4858 0.138 0.13 4.9955 0.154 0.14 0.1894 0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B20 compound treatment 4.554 0.206 0.2 4.3498 -0.492 -0.44 -0.1723 -0.3585 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B21 compound treatment 3.9828 -0.365 -0.35 3.56 -1.28 -1.14 -1.0529 -0.8813 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B22 compound treatment 4.3604 0.0129 0.01 4.3043 -0.538 -0.48 -0.3306 -0.6889 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B23 compound treatment 4.6307 0.283 0.27 5.3381 0.496 0.44 0.5025 0.9711 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 B24 compound treatment 4.8793 0.532 0.5 5.2084 0.366 0.33 0.5871 0.9782 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C01 compound treatment 4.3026 -0.045 -0.04 5.1013 0.259 0.23 0.1335 0.5674 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C02 compound treatment 3.9086 -0.439 -0.42 4.0026 -0.839 -0.75 -0.8234 -0.9614 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C03 compound treatment 4.6205 0.273 0.26 4.1776 -0.664 -0.59 -0.2365 -0.3657 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C04 compound treatment 4.3376 -0.00993 -0.01 4.8847 0.0427 0.04 0.0203 0.5172 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C05 compound treatment 4.6454 0.298 0.28 4.5093 -0.333 -0.3 -0.0105 -0.0257 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C06 compound treatment 4.491 0.143 0.14 4.3937 -0.448 -0.4 -0.1868 -0.4422 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C07 compound treatment 4.4289 0.0813 0.08 4.4027 -0.439 -0.39 -0.2227 -0.5575 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C08 compound treatment 4.6796 0.332 0.31 5.1722 0.33 0.29 0.4306 0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C09 compound treatment 3.9309 -0.417 -0.39 3.7444 -1.1 -0.98 -0.9714 -0.9201 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C10 compound treatment 4.0998 -0.248 -0.23 4.3442 -0.498 -0.44 -0.4798 -0.9555 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C11 mock treatment 4.3531 0.00552 0.01 3.927 -0.915 -0.82 -0.5736 -0.7026 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C12 mock treatment 3.9312 -0.416 -0.39 4.1011 -0.741 -0.66 -0.7461 -0.9695 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C13 compound treatment 4.6242 0.277 0.26 4.2165 -0.625 -0.56 -0.2094 -0.3397 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C14 compound treatment 4.4436 0.0961 0.09 4.7658 -0.0762 -0.07 0.0163 0.1433 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C15 mock treatment 4.2807 -0.0669 -0.06 4.8153 -0.0267 -0.02 -0.0616 -0.9108 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C16 mock treatment 3.5541 -0.793 -0.75 3.7813 -1.06 -0.95 -1.2003 -0.9934 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C17 compound treatment 4.0714 -0.276 -0.26 3.9855 -0.857 -0.76 -0.7252 -0.8979 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C18 compound treatment 4.4023 0.0548 0.05 4.1386 -0.703 -0.63 -0.4071 -0.6465 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C19 compound treatment 4.5465 0.199 0.19 4.2495 -0.593 -0.53 -0.2406 -0.4287 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C20 compound treatment 4.2219 -0.126 -0.12 3.5712 -1.27 -1.13 -0.8859 -0.777 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C21 compound treatment 4.0537 -0.294 -0.28 4.3132 -0.529 -0.47 -0.5303 -0.9683 3010936 CMLD2_000373 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C22 compound treatment 4.1148 -0.233 -0.22 3.8004 -1.04 -0.93 -0.8129 -0.8511 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C23 compound treatment 3.445 -0.903 -0.85 3.7938 -1.05 -0.94 -1.2655 -0.999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 C24 compound treatment 3.1333 -1.21 -1.15 4.4551 -0.387 -0.35 -1.0568 -0.8806 3010937 CMLD2_000376 C[C@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)[C@H](Cc3ccccc3)NC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D01 compound treatment 4.0174 -0.33 -0.31 5.071 0.229 0.2 -0.0765 -0.2049 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D02 compound treatment 4.3446 -0.0029 0.0 5.4861 0.644 0.57 0.4044 0.7037 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D03 compound treatment 4.1834 -0.164 -0.16 4.6362 -0.206 -0.18 -0.2398 -0.9966 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D04 compound treatment 4.2835 -0.064 -0.06 4.9126 0.0706 0.06 0.0017 0.0195 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D05 compound treatment 4.3287 -0.0189 -0.02 4.4921 -0.35 -0.31 -0.2334 -0.7464 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D06 compound treatment 4.5593 0.212 0.2 4.194 -0.648 -0.58 -0.2671 -0.4365 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D07 compound treatment 4.1265 -0.221 -0.21 3.8134 -1.03 -0.92 -0.7969 -0.8466 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D08 compound treatment 4.033 -0.315 -0.3 4.595 -0.247 -0.22 -0.3664 -0.989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D09 compound treatment 3.8004 -0.547 -0.52 4.3214 -0.521 -0.46 -0.6947 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D10 compound treatment 4.2555 -0.0921 -0.09 4.3087 -0.533 -0.48 -0.3981 -0.8229 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D11 mock treatment 4.2958 -0.0518 -0.05 4.2355 -0.607 -0.54 -0.4173 -0.768 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D12 mock treatment 4.8614 0.514 0.49 3.667 -1.18 -1.05 -0.3973 -0.3438 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D13 compound treatment 3.3938 -0.954 -0.9 4.1603 -0.682 -0.61 -1.0685 -0.9815 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D14 compound treatment 4.9876 0.64 0.61 4.569 -0.273 -0.24 0.2562 0.3923 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D15 mock treatment 3.9958 -0.352 -0.33 4.6737 -0.168 -0.15 -0.3416 -0.9353 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D16 mock treatment 3.8254 -0.522 -0.49 4.4234 -0.419 -0.37 -0.6136 -0.9905 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D17 compound treatment 3.6716 -0.676 -0.64 4.709 -0.133 -0.12 -0.5364 -0.8242 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D18 compound treatment 4.0503 -0.297 -0.28 4.7527 -0.0893 -0.08 -0.2553 -0.8731 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D19 compound treatment 3.5085 -0.839 -0.79 4.7688 -0.0732 -0.07 -0.6078 -0.7627 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D20 compound treatment 3.374 -0.974 -0.92 4.2317 -0.61 -0.54 -1.0367 -0.9685 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D21 compound treatment 4.0763 -0.271 -0.26 4.1916 -0.65 -0.58 -0.5919 -0.9327 3130767 CMLD2_000393 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D22 compound treatment 3.8335 -0.514 -0.49 4.0211 -0.821 -0.73 -0.8619 -0.9803 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D23 compound treatment 4.103 -0.245 -0.23 3.762 -1.08 -0.96 -0.8451 -0.8527 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 D24 compound treatment 3.7685 -0.579 -0.55 4.0477 -0.794 -0.71 -0.8887 -0.9919 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E01 mock treatment 4.2052 -0.142 -0.13 3.8564 -0.986 -0.88 -0.7171 -0.8061 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E02 mock treatment 4.9521 0.605 0.57 4.625 -0.217 -0.19 0.2678 0.4432 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E03 compound treatment 4.3905 0.0429 0.04 4.4032 -0.439 -0.39 -0.2481 -0.6303 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E04 compound treatment 4.4535 0.106 0.1 4.3153 -0.527 -0.47 -0.2614 -0.544 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E05 compound treatment 5.4588 1.11 1.05 4.1879 -0.654 -0.58 0.3311 0.2753 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E06 compound treatment 4.3204 -0.0272 -0.03 4.7775 -0.0645 -0.06 -0.0588 -0.9341 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E07 compound treatment 4.8633 0.516 0.49 4.3215 -0.521 -0.46 0.0168 0.025 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E08 compound treatment 4.9043 0.557 0.53 4.3567 -0.485 -0.43 0.0665 0.0975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E09 mock treatment 4.13 -0.218 -0.21 4.1958 -0.646 -0.58 -0.5533 -0.9037 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E10 mock treatment 4.5698 0.222 0.21 4.5506 -0.291 -0.26 -0.0351 -0.1048 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E11 compound treatment 4.5812 0.234 0.22 4.1107 -0.731 -0.65 -0.305 -0.4427 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E12 compound treatment 4.2505 -0.097 -0.09 5.3383 0.496 0.44 0.2482 0.5488 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E13 compound treatment 5.0036 0.656 0.62 4.6524 -0.19 -0.17 0.3196 0.4965 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E14 compound treatment 4.7159 0.368 0.35 4.3956 -0.446 -0.4 -0.0351 -0.0663 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E15 compound treatment 4.9558 0.608 0.58 4.2745 -0.567 -0.51 0.0491 0.064 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E16 compound treatment 4.2256 -0.122 -0.12 4.7817 -0.0603 -0.05 -0.1197 -0.9396 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E17 mock treatment 3.7272 -0.62 -0.59 5.0025 0.161 0.14 -0.314 -0.5194 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E18 mock treatment 3.7172 -0.63 -0.6 4.869 0.027 0.02 -0.4049 -0.6781 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E19 compound treatment 4.1154 -0.232 -0.22 4.3728 -0.469 -0.42 -0.4514 -0.9548 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E20 compound treatment 3.9056 -0.442 -0.42 4.4168 -0.425 -0.38 -0.564 -0.9988 3130777 CMLD2_000410 C[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E21 compound treatment 4.0409 -0.307 -0.29 3.7891 -1.05 -0.94 -0.8695 -0.8843 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E22 compound treatment 4.1677 -0.18 -0.17 4.3803 -0.462 -0.41 -0.4117 -0.9236 3010992 CMLD2_000412 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E23 compound treatment 4.4621 0.115 0.11 4.6279 -0.214 -0.19 -0.0584 -0.2658 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 E24 compound treatment 3.7852 -0.562 -0.53 4.6517 -0.19 -0.17 -0.4965 -0.8886 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F01 mock treatment 3.997 -0.35 -0.33 4.8465 0.00453 0.0 -0.2317 -0.6984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F02 mock treatment 4.5284 0.181 0.17 4.1717 -0.67 -0.6 -0.3018 -0.4852 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F03 compound treatment 4.6819 0.334 0.32 4.2688 -0.573 -0.51 -0.1378 -0.2291 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F04 compound treatment 4.9749 0.627 0.59 4.7151 -0.127 -0.11 0.3398 0.5621 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F05 compound treatment 4.2522 -0.0953 -0.09 5.4349 0.593 0.53 0.3103 0.5781 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F06 compound treatment 4.2444 -0.103 -0.1 5.2109 0.369 0.33 0.1637 0.4767 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F07 compound treatment 4.3663 0.0187 0.02 4.1695 -0.672 -0.6 -0.4117 -0.6859 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F08 compound treatment 4.5791 0.232 0.22 4.5871 -0.255 -0.23 -0.0058 -0.0184 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F09 mock treatment 4.0981 -0.249 -0.24 4.6406 -0.201 -0.18 -0.294 -0.9909 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F10 mock treatment 3.937 -0.411 -0.39 3.957 -0.885 -0.79 -0.8331 -0.9467 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F11 compound treatment 5.185 0.838 0.79 4.7899 -0.0521 -0.05 0.5277 0.6645 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F12 compound treatment 3.9496 -0.398 -0.38 4.88 0.038 0.03 -0.2424 -0.6409 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F13 compound treatment 4.0996 -0.248 -0.23 5.0308 0.189 0.17 -0.0468 -0.1621 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F14 compound treatment 4.6395 0.292 0.28 4.9056 0.0636 0.06 0.2355 0.8349 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F15 compound treatment 4.3072 -0.0403 -0.04 4.7984 -0.0436 -0.04 -0.0545 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F16 compound treatment 4.246 -0.101 -0.1 5.0111 0.169 0.15 0.0388 0.2167 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F17 mock treatment 4.2415 -0.106 -0.1 4.9157 0.0737 0.07 -0.0245 -0.2043 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F18 mock treatment 4.2472 -0.1 -0.1 4.8185 -0.0235 -0.02 -0.082 -0.8429 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F19 compound treatment 3.7621 -0.585 -0.55 4.2634 -0.579 -0.52 -0.7569 -0.9994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F20 compound treatment 4.8214 0.474 0.45 4.6628 -0.179 -0.16 0.2041 0.4287 3130913 CMLD2_000428 C[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F21 compound treatment 4.0136 -0.334 -0.32 4.2012 -0.641 -0.57 -0.6278 -0.961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F22 compound treatment 4.1029 -0.245 -0.23 4.2493 -0.593 -0.53 -0.5377 -0.9314 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F23 compound treatment 3.8555 -0.492 -0.47 4.4258 -0.416 -0.37 -0.5919 -0.9937 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 F24 compound treatment 3.613 -0.735 -0.7 4.0125 -0.829 -0.74 -1.015 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G01 compound treatment 4.4312 0.0837 0.08 5.1843 0.342 0.31 0.272 0.862 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G02 compound treatment 4.7739 0.426 0.4 4.9307 0.0887 0.08 0.3413 0.83 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G03 mock treatment 5.3029 0.955 0.9 4.9583 0.116 0.1 0.7128 0.7831 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G04 mock treatment 4.5996 0.252 0.24 5.2575 0.416 0.37 0.4308 0.9773 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G05 compound treatment 5.1375 0.79 0.75 4.674 -0.168 -0.15 0.4228 0.5544 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G06 compound treatment 4.7387 0.391 0.37 5.7569 0.915 0.82 0.839 0.9361 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G07 compound treatment 4.9947 0.647 0.61 6.3062 1.46 1.31 1.3569 0.9404 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G08 compound treatment 4.8987 0.551 0.52 5.3599 0.518 0.46 0.6956 0.9982 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G09 compound treatment 4.2311 -0.116 -0.11 5.3794 0.537 0.48 0.2611 0.5307 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G10 compound treatment 3.8056 -0.542 -0.51 4.4752 -0.367 -0.33 -0.5942 -0.9764 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G11 compound treatment 4.2742 -0.0734 -0.07 4.8493 0.00733 0.01 -0.0445 -0.6377 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G12 compound treatment 4.3753 0.0278 0.03 4.4564 -0.386 -0.34 -0.2247 -0.6512 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G13 compound treatment 4.2874 -0.0601 -0.06 6.071 1.23 1.1 0.7351 0.6695 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G14 compound treatment 4.8621 0.515 0.49 4.8078 -0.0342 -0.03 0.3228 0.6615 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G15 compound treatment 4.7192 0.372 0.35 5.1703 0.328 0.29 0.4559 0.9959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G16 compound treatment 11.97 7.62 7.22 7.2756 2.43 2.17 6.6374 0.8809 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G17 compound treatment 4.9548 0.607 0.57 5.0752 0.233 0.21 0.5536 0.9055 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G18 compound treatment 5.0841 0.737 0.7 5.0909 0.249 0.22 0.65 0.8884 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G19 mock treatment 5.1235 0.776 0.73 5.7061 0.864 0.77 1.0645 0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G20 mock treatment 3.7271 -0.62 -0.59 4.8497 0.00766 0.01 -0.4105 -0.6988 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G21 compound treatment 3.9918 -0.356 -0.34 5.1 0.258 0.23 -0.0754 -0.1848 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G22 compound treatment 4.5346 0.187 0.18 5.7391 0.897 0.8 0.6912 0.8432 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G23 compound treatment 2.0219 -2.33 -2.2 2.3016 -2.54 -2.27 -3.1593 -0.9999 3131053 CMLD2_000451 C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@@H]3CCCN3C1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 G24 compound treatment 4.4931 0.146 0.14 5.2603 0.418 0.37 0.3613 0.9082 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H01 compound treatment 5.5099 1.16 1.1 5.3261 0.484 0.43 1.0834 0.9166 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H02 compound treatment 4.4238 0.0763 0.07 5.0248 0.183 0.16 0.1664 0.9328 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H03 mock treatment 4.9387 0.591 0.56 5.5231 0.681 0.61 0.8254 0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H04 mock treatment 4.5768 0.229 0.22 5.7655 0.923 0.82 0.7361 0.8639 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H05 compound treatment 5.2497 0.902 0.85 5.625 0.783 0.7 1.0978 0.995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H06 compound treatment 4.7654 0.418 0.4 5.3126 0.471 0.42 0.5766 0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H07 compound treatment 4.4548 0.107 0.1 4.5569 -0.285 -0.25 -0.108 -0.3944 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H08 compound treatment 4.7119 0.364 0.34 5.2429 0.401 0.36 0.4968 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H09 compound treatment 4.5775 0.23 0.22 5.2807 0.439 0.39 0.4306 0.9616 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H10 compound treatment 5.0326 0.685 0.65 5.1692 0.327 0.29 0.665 0.935 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H11 compound treatment 6.0681 1.72 1.63 4.9794 0.137 0.12 1.2383 0.7582 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H12 compound treatment 4.6637 0.316 0.3 4.9395 0.0975 0.09 0.2731 0.8763 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H13 compound treatment 4.4667 0.119 0.11 5.1709 0.329 0.29 0.2872 0.9137 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H14 compound treatment 5.0233 0.676 0.64 4.3257 -0.516 -0.46 0.1266 0.1606 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H15 compound treatment 4.8367 0.489 0.46 4.3658 -0.476 -0.42 0.0269 0.0429 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H16 compound treatment 4.4921 0.145 0.14 5.1065 0.265 0.24 0.2637 0.9664 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H17 compound treatment 4.3507 0.00312 0.0 5.2352 0.393 0.35 0.2502 0.713 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H18 compound treatment 4.7811 0.434 0.41 4.8197 -0.0223 -0.02 0.2761 0.672 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H19 mock treatment 4.5011 0.154 0.15 5.3853 0.543 0.48 0.4455 0.8804 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H20 mock treatment 4.0186 -0.329 -0.31 4.9941 0.152 0.14 -0.1242 -0.3657 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H21 compound treatment 4.6426 0.295 0.28 4.593 -0.249 -0.22 0.0404 0.1133 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H22 compound treatment 4.256 -0.0915 -0.09 4.2944 -0.548 -0.49 -0.4067 -0.8197 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H23 compound treatment 4.9406 0.593 0.56 4.3434 -0.499 -0.44 0.0824 0.1151 3131065 CMLD2_000471 CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 H24 compound treatment 4.3555 0.00797 0.01 4.6486 -0.193 -0.17 -0.1167 -0.6755 3131066 CMLD2_000472 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I01 compound treatment 4.6922 0.345 0.33 4.9813 0.139 0.12 0.3186 0.9125 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I02 compound treatment 5.0228 0.675 0.64 4.7043 -0.138 -0.12 0.3651 0.5609 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I03 compound treatment 4.7824 0.435 0.41 4.7419 -0.1 -0.09 0.2279 0.5411 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I04 compound treatment 4.8165 0.469 0.44 5.1735 0.331 0.3 0.523 0.9805 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I05 mock treatment 4.7304 0.383 0.36 4.8705 0.0285 0.03 0.2742 0.7549 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I06 mock treatment 4.6069 0.259 0.25 5.643 0.801 0.71 0.679 0.8985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I07 compound treatment 4.4481 0.101 0.1 4.3545 -0.487 -0.43 -0.2402 -0.5396 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I08 compound treatment 3.9546 -0.393 -0.37 4.48 -0.362 -0.32 -0.4914 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I09 compound treatment 4.1822 -0.165 -0.16 4.3963 -0.446 -0.4 -0.3919 -0.917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I10 compound treatment 4.293 -0.0545 -0.05 4.7028 -0.139 -0.12 -0.1243 -0.9243 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I11 compound treatment 5.325 0.977 0.93 4.8727 0.0307 0.03 0.6736 0.7277 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I12 compound treatment 4.6364 0.289 0.27 4.9604 0.118 0.11 0.268 0.9145 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I13 compound treatment 5.0052 0.658 0.62 4.4908 -0.351 -0.31 0.2186 0.3137 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I14 compound treatment 5.452 1.1 1.05 4.6832 -0.159 -0.14 0.6391 0.6058 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I15 compound treatment 3.7354 -0.612 -0.58 4.0212 -0.821 -0.73 -0.9276 -0.9933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I16 compound treatment 3.7183 -0.629 -0.6 4.7298 -0.112 -0.1 -0.492 -0.8145 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I17 compound treatment 4.3698 0.0223 0.02 4.7476 -0.0944 -0.08 -0.0447 -0.5141 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I18 compound treatment 4.3694 0.0219 0.02 5.0227 0.181 0.16 0.1286 0.7914 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I19 compound treatment 4.395 0.0475 0.04 4.2764 -0.566 -0.5 -0.3251 -0.6416 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I20 compound treatment 4.9921 0.645 0.61 5.7421 0.9 0.8 0.9992 0.9908 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I21 mock treatment 4.6771 0.33 0.31 5.5221 0.68 0.61 0.6497 0.9522 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I22 mock treatment 4.1806 -0.167 -0.16 4.7605 -0.0815 -0.07 -0.1632 -0.938 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I23 compound treatment 4.0236 -0.324 -0.31 4.609 -0.233 -0.21 -0.3638 -0.9821 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 I24 compound treatment 4.2425 -0.105 -0.1 4.3004 -0.542 -0.48 -0.412 -0.8351 3011157 CMLD2_000492 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J01 compound treatment 4.5852 0.238 0.22 4.8381 -0.00387 0.0 0.1567 0.6962 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J02 compound treatment 4.6904 0.343 0.32 4.1435 -0.698 -0.62 -0.2112 -0.3005 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J03 compound treatment 5.874 1.53 1.44 4.9055 0.0635 0.06 1.0618 0.7343 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J04 compound treatment 4.9601 0.613 0.58 4.6928 -0.149 -0.13 0.3159 0.531 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J05 mock treatment 4.6788 0.331 0.31 4.5024 -0.34 -0.3 0.0075 0.0172 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J06 mock treatment 5.0726 0.725 0.69 6.0535 1.21 1.08 1.2497 0.976 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J07 compound treatment 4.9777 0.63 0.6 5.341 0.499 0.45 0.7366 0.9896 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J08 compound treatment 4.9188 0.571 0.54 4.5365 -0.306 -0.27 0.1896 0.3131 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J09 compound treatment 4.3387 -0.00889 -0.01 5.0602 0.218 0.19 0.1317 0.6759 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J10 compound treatment 4.2872 -0.0604 -0.06 5.1307 0.289 0.26 0.1417 0.5372 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J11 compound treatment 4.6867 0.339 0.32 5.5556 0.714 0.64 0.6772 0.9498 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J12 compound treatment 3.7693 -0.578 -0.55 4.7354 -0.107 -0.1 -0.4543 -0.8177 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J13 compound treatment 3.9116 -0.436 -0.41 4.7158 -0.126 -0.11 -0.3715 -0.8683 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J14 compound treatment 4.9506 0.603 0.57 4.4931 -0.349 -0.31 0.1835 0.2822 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J15 compound treatment 4.7184 0.371 0.35 4.4464 -0.396 -0.35 -0.0014 -0.0028 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J16 compound treatment 5.024 0.676 0.64 5.0647 0.223 0.2 0.5933 0.8849 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J17 compound treatment 4.2703 -0.0773 -0.07 5.5202 0.678 0.61 0.3761 0.6171 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J18 compound treatment 4.3436 -0.00392 0.0 4.6306 -0.211 -0.19 -0.136 -0.7209 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J19 compound treatment 4.7429 0.395 0.37 5.4827 0.641 0.57 0.6688 0.9789 3131320 CMLD2_000509 CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J20 compound treatment 4.6427 0.295 0.28 4.7373 -0.105 -0.09 0.1315 0.4463 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J21 mock treatment 4.5127 0.165 0.16 5.1453 0.303 0.27 0.3019 0.966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J22 mock treatment 4.5701 0.223 0.21 4.5758 -0.266 -0.24 -0.019 -0.0598 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J23 compound treatment 4.1511 -0.196 -0.19 5.3851 0.543 0.48 0.2111 0.4068 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 J24 compound treatment 4.0349 -0.313 -0.3 4.329 -0.513 -0.46 -0.5329 -0.9777 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K01 compound treatment 4.6744 0.327 0.31 5.4977 0.656 0.59 0.6325 0.9557 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K02 compound treatment 4.8684 0.521 0.49 5.3488 0.507 0.45 0.6684 0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K03 compound treatment 4.8957 0.548 0.52 4.7913 -0.0507 -0.05 0.3349 0.6431 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K04 compound treatment 5.1352 0.788 0.75 5.3622 0.52 0.46 0.8554 0.974 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K05 compound treatment 4.5395 0.192 0.18 4.3256 -0.516 -0.46 -0.1973 -0.3983 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K06 compound treatment 4.4691 0.122 0.12 4.3185 -0.524 -0.47 -0.2489 -0.5174 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K07 mock treatment 4.5038 0.156 0.15 5.1876 0.346 0.31 0.3226 0.9434 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K08 mock treatment 4.0798 -0.268 -0.25 5.808 0.966 0.86 0.4303 0.4789 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K09 compound treatment 3.9623 -0.385 -0.36 4.8587 0.0167 0.01 -0.2473 -0.6776 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K10 compound treatment 4.8322 0.485 0.46 5.049 0.207 0.18 0.455 0.92 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K11 compound treatment 4.6266 0.279 0.26 4.722 -0.12 -0.11 0.1111 0.3899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K12 compound treatment 4.5547 0.207 0.2 4.251 -0.591 -0.53 -0.2342 -0.4163 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K13 compound treatment 4.5954 0.248 0.23 5.3202 0.478 0.43 0.4676 0.9603 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K14 compound treatment 3.8082 -0.539 -0.51 4.8525 0.0105 0.01 -0.3544 -0.694 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K15 mock treatment 4.4974 0.15 0.14 5.6621 0.82 0.73 0.6177 0.8287 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K16 mock treatment 3.9571 -0.39 -0.37 4.4514 -0.391 -0.35 -0.5078 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K17 compound treatment 3.8662 -0.481 -0.46 5.0174 0.175 0.16 -0.2115 -0.4391 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K18 compound treatment 4.4753 0.128 0.12 4.3628 -0.479 -0.43 -0.2168 -0.4879 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K19 compound treatment 3.951 -0.397 -0.38 5.0046 0.163 0.15 -0.1629 -0.4047 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K20 compound treatment 6.3702 2.02 1.91 4.6508 -0.191 -0.17 1.2332 0.6416 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K21 compound treatment 4.0605 -0.287 -0.27 4.8696 0.0276 0.02 -0.1747 -0.6404 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K22 compound treatment 3.9364 -0.411 -0.39 4.6901 -0.152 -0.14 -0.371 -0.9003 3011072 CMLD2_000530 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)COC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K23 mock treatment 4.5637 0.216 0.2 5.4432 0.601 0.54 0.5239 0.9127 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 K24 mock treatment 3.7167 -0.631 -0.6 5.2531 0.411 0.37 -0.1629 -0.2324 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L01 compound treatment 4.3937 0.0462 0.04 5.0 0.158 0.14 0.1306 0.8848 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L02 compound treatment 4.2015 -0.146 -0.14 4.8649 0.0229 0.02 -0.0833 -0.5959 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L03 compound treatment 4.1465 -0.201 -0.19 4.3841 -0.458 -0.41 -0.4234 -0.9395 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L04 compound treatment 5.4192 1.07 1.01 5.321 0.479 0.43 1.0195 0.9262 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L05 compound treatment 5.0065 0.659 0.62 4.7714 -0.0706 -0.06 0.3965 0.6325 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L06 compound treatment 4.1267 -0.221 -0.21 4.5046 -0.337 -0.3 -0.3607 -0.9841 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L07 mock treatment 4.3386 -0.00897 -0.01 4.6532 -0.189 -0.17 -0.1251 -0.7418 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L08 mock treatment 5.0993 0.752 0.71 6.1826 1.34 1.2 1.349 0.9692 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L09 compound treatment 4.8109 0.463 0.44 3.9678 -0.874 -0.78 -0.2414 -0.2698 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L10 compound treatment 3.9125 -0.435 -0.41 4.4818 -0.36 -0.32 -0.5185 -0.9925 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L11 compound treatment 4.298 -0.0495 -0.05 4.4576 -0.384 -0.34 -0.2756 -0.7963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L12 compound treatment 3.9513 -0.396 -0.38 4.9895 0.148 0.13 -0.1722 -0.4331 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L13 compound treatment 4.7728 0.425 0.4 5.1016 0.26 0.23 0.4484 0.9655 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L14 compound treatment 4.0354 -0.312 -0.3 4.8291 -0.0129 -0.01 -0.2171 -0.7341 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L15 mock treatment 3.9918 -0.356 -0.34 4.8793 0.0373 0.03 -0.2146 -0.6342 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L16 mock treatment 4.9387 0.591 0.56 4.1896 -0.652 -0.58 -0.0159 -0.0197 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L17 compound treatment 4.3178 -0.0297 -0.03 5.3869 0.545 0.49 0.3239 0.6651 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L18 compound treatment 4.6754 0.328 0.31 5.0117 0.17 0.15 0.3265 0.9456 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L19 compound treatment 4.5566 0.209 0.2 4.1871 -0.655 -0.58 -0.2732 -0.443 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L20 compound treatment 4.5154 0.168 0.16 4.4444 -0.398 -0.35 -0.1384 -0.3562 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L21 compound treatment 4.54 0.192 0.18 4.6125 -0.229 -0.2 -0.0159 -0.0581 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L22 compound treatment 4.0634 -0.284 -0.27 4.6126 -0.229 -0.2 -0.3349 -0.9909 3131457 CMLD2_000548 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L23 mock treatment 3.8529 -0.495 -0.47 4.9288 0.0868 0.08 -0.2763 -0.5822 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 L24 mock treatment 4.3435 -0.00406 0.0 4.5381 -0.304 -0.27 -0.1945 -0.7171 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M01 compound treatment 3.4734 -0.874 -0.83 4.4096 -0.432 -0.39 -0.8579 -0.9397 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M02 compound treatment 4.3651 0.0176 0.02 5.4002 0.558 0.5 0.364 0.7303 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M03 compound treatment 4.5356 0.188 0.18 4.8356 -0.00637 -0.01 0.1219 0.6842 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M04 compound treatment 3.9207 -0.427 -0.4 5.2021 0.36 0.32 -0.0585 -0.1133 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M05 compound treatment 4.2562 -0.0913 -0.09 4.6582 -0.184 -0.16 -0.1771 -0.9552 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M06 compound treatment 4.8073 0.46 0.44 4.6541 -0.188 -0.17 0.1892 0.4056 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M07 compound treatment 4.9417 0.594 0.56 3.8661 -0.976 -0.87 -0.218 -0.2103 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M08 compound treatment 3.8226 -0.525 -0.5 5.3147 0.473 0.42 -0.0531 -0.0815 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M09 mock treatment 4.3656 0.018 0.02 5.6238 0.782 0.7 0.5053 0.7242 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M10 mock treatment 4.9695 0.622 0.59 4.9734 0.131 0.12 0.4992 0.8316 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M11 compound treatment 4.8014 0.454 0.43 4.4974 -0.345 -0.31 0.0864 0.1636 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M12 compound treatment 4.0808 -0.267 -0.25 4.6137 -0.228 -0.2 -0.3225 -0.9943 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M13 mock treatment 4.2668 -0.0807 -0.08 4.1907 -0.651 -0.58 -0.4649 -0.7933 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M14 mock treatment 3.7934 -0.554 -0.52 4.9908 0.149 0.13 -0.277 -0.5119 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M15 compound treatment 3.8404 -0.507 -0.48 4.25 -0.592 -0.53 -0.7129 -0.9989 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M16 compound treatment 3.3104 -1.04 -0.98 3.6848 -1.16 -1.03 -1.4243 -0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M17 compound treatment 4.5021 0.155 0.15 4.5804 -0.262 -0.23 -0.0616 -0.2235 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M18 compound treatment 4.4624 0.115 0.11 4.8802 0.0382 0.03 0.101 0.8861 3011178 CMLD2_000562 Cn1c(=O)n2CC[C@H]3[C@H]([C@H](O)[C@@H]4O[C@@H]4C3=O)n2c1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M19 compound treatment 4.6168 0.269 0.25 4.2683 -0.574 -0.51 -0.1817 -0.3178 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M20 compound treatment 4.9701 0.623 0.59 5.7575 0.916 0.82 0.9943 0.9872 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M21 compound treatment 4.2329 -0.115 -0.11 6.0668 1.22 1.09 0.696 0.6338 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M22 compound treatment 4.1627 -0.185 -0.17 4.4248 -0.417 -0.37 -0.387 -0.9408 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M23 compound treatment 4.1068 -0.241 -0.23 5.1835 0.341 0.3 0.0543 0.1427 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 M24 compound treatment 4.0971 -0.25 -0.24 4.7215 -0.121 -0.11 -0.2437 -0.936 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N01 compound treatment 4.2187 -0.129 -0.12 4.3622 -0.48 -0.43 -0.389 -0.8738 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N02 compound treatment 4.1705 -0.177 -0.17 4.8418 -2.27E-4 0.0 -0.1186 -0.708 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N03 compound treatment 5.7636 1.42 1.34 5.2429 0.401 0.36 1.2008 0.8655 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N04 compound treatment 4.3813 0.0337 0.03 4.7615 -0.0805 -0.07 -0.0282 -0.3588 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N05 compound treatment 3.9429 -0.405 -0.38 4.9604 0.118 0.11 -0.1962 -0.4936 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N06 compound treatment 3.6526 -0.695 -0.66 4.9378 0.0958 0.09 -0.4047 -0.6101 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N07 compound treatment 5.3606 1.01 0.96 4.5921 -0.25 -0.22 0.5204 0.5286 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N08 compound treatment 3.9143 -0.433 -0.41 6.5905 1.75 1.56 0.8131 0.5041 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N09 mock treatment 5.0874 0.74 0.7 4.7711 -0.0709 -0.06 0.4505 0.6407 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N10 mock treatment 3.8955 -0.452 -0.43 4.5212 -0.321 -0.29 -0.505 -0.9809 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N11 compound treatment 4.0795 -0.268 -0.25 4.6541 -0.188 -0.17 -0.2979 -0.9798 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N12 compound treatment 4.1509 -0.197 -0.19 4.894 0.052 0.05 -0.0988 -0.5151 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N13 mock treatment 4.2819 -0.0657 -0.06 4.785 -0.057 -0.05 -0.0799 -0.9951 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N14 mock treatment 5.1835 0.836 0.79 5.2177 0.376 0.34 0.7965 0.9269 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N15 compound treatment 4.2376 -0.11 -0.1 6.0336 1.19 1.06 0.6781 0.6348 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N16 compound treatment 14.8533 10.5 9.94 16.5581 11.7 10.45 14.4235 0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N17 compound treatment 4.093 -0.254 -0.24 4.9221 0.0801 0.07 -0.1198 -0.4768 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N18 compound treatment 4.4453 0.0977 0.09 4.4814 -0.361 -0.32 -0.162 -0.4841 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N19 compound treatment 5.1316 0.784 0.74 5.3529 0.511 0.46 0.8471 0.9726 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N20 compound treatment 4.3039 -0.0437 -0.04 4.3307 -0.511 -0.46 -0.3518 -0.768 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N21 compound treatment 3.7345 -0.613 -0.58 5.5767 0.735 0.66 0.0531 0.0607 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N22 compound treatment 4.3127 -0.0348 -0.03 4.5234 -0.319 -0.28 -0.2243 -0.7839 3011226 CMLD2_000586 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N23 compound treatment 4.7584 0.411 0.39 5.1511 0.309 0.28 0.47 0.9858 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 N24 compound treatment 4.4377 0.0901 0.09 4.4638 -0.378 -0.34 -0.1783 -0.5122 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O01 compound treatment 3.5004 -0.847 -0.8 3.884 -0.958 -0.85 -1.1714 -0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O02 compound treatment 3.9846 -0.363 -0.34 4.1176 -0.724 -0.65 -0.7 -0.9563 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O03 compound treatment 4.315 -0.0326 -0.03 4.2035 -0.639 -0.57 -0.4246 -0.7443 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O04 compound treatment 3.9741 -0.373 -0.35 4.5385 -0.303 -0.27 -0.4414 -0.9913 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O05 compound treatment 4.1102 -0.237 -0.22 4.2312 -0.611 -0.54 -0.5442 -0.9232 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O06 compound treatment 3.7448 -0.603 -0.57 3.9009 -0.941 -0.84 -0.9972 -0.9823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O07 compound treatment 3.4228 -0.925 -0.88 4.3758 -0.466 -0.42 -0.9131 -0.9422 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O08 compound treatment 3.7913 -0.556 -0.53 4.1401 -0.702 -0.63 -0.8151 -0.9963 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O09 compound treatment 3.8462 -0.501 -0.47 4.0297 -0.812 -0.72 -0.848 -0.9789 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O10 compound treatment 4.3852 0.0377 0.04 4.185 -0.657 -0.59 -0.3893 -0.6629 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O11 mock treatment 3.8794 -0.468 -0.44 4.6715 -0.171 -0.15 -0.4209 -0.8984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O12 mock treatment 3.5907 -0.757 -0.72 4.2214 -0.621 -0.55 -0.8981 -0.9919 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O13 compound treatment 4.1331 -0.214 -0.2 4.0595 -0.782 -0.7 -0.6372 -0.8764 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O14 compound treatment 3.0117 -1.34 -1.26 3.8457 -0.996 -0.89 -1.5226 -0.9851 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O15 compound treatment 4.086 -0.262 -0.25 4.2753 -0.567 -0.51 -0.5325 -0.946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O16 compound treatment 2.3342 -2.01 -1.91 2.3633 -2.48 -2.21 -2.9114 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O17 compound treatment 3.642 -0.706 -0.67 3.8028 -1.04 -0.93 -1.1279 -0.987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O18 compound treatment 3.715 -0.632 -0.6 4.0937 -0.748 -0.67 -0.8955 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O19 compound treatment 3.7796 -0.568 -0.54 4.311 -0.531 -0.47 -0.7151 -0.998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O20 compound treatment 3.6247 -0.723 -0.68 4.0697 -0.772 -0.69 -0.9711 -1.0 3012179 CMLD2_000606 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O21 compound treatment 3.3964 -0.951 -0.9 4.0231 -0.819 -0.73 -1.1533 -0.9946 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O22 compound treatment 3.3948 -0.953 -0.9 3.797 -1.04 -0.93 -1.2969 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O23 compound treatment 3.547 -0.801 -0.76 3.9186 -0.923 -0.82 -1.1184 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 O24 compound treatment 3.6429 -0.705 -0.67 3.504 -1.34 -1.19 -1.3157 -0.9622 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P01 compound treatment 2.9941 -1.35 -1.28 3.846 -0.996 -0.89 -1.5343 -0.984 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P02 compound treatment 3.6263 -0.721 -0.68 4.4372 -0.405 -0.36 -0.7382 -0.9557 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P03 compound treatment 4.3652 0.0177 0.02 4.8035 -0.0385 -0.03 -0.0124 -0.3254 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P04 compound treatment 3.4048 -0.943 -0.89 3.9775 -0.865 -0.77 -1.1764 -0.9974 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P05 compound treatment 3.7505 -0.597 -0.57 4.0199 -0.822 -0.73 -0.9183 -0.9917 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P06 compound treatment 3.9635 -0.384 -0.36 4.0392 -0.803 -0.72 -0.7635 -0.9506 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P07 compound treatment 3.7579 -0.59 -0.56 4.0552 -0.787 -0.7 -0.891 -0.9935 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P08 compound treatment 3.2865 -1.06 -1.0 3.731 -1.11 -0.99 -1.4111 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P09 compound treatment 3.5694 -0.778 -0.74 4.0407 -0.801 -0.71 -1.0263 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P10 compound treatment 3.2964 -1.05 -1.0 3.7344 -1.11 -0.99 -1.4024 -1.0 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P11 mock treatment 4.4163 0.0688 0.07 4.7828 -0.0592 -0.05 0.0087 0.1035 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P12 mock treatment 3.688 -0.66 -0.62 4.0471 -0.795 -0.71 -0.9429 -0.998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P13 compound treatment 4.1583 -0.189 -0.18 4.0266 -0.815 -0.73 -0.6411 -0.8556 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P14 compound treatment 3.02 -1.33 -1.26 3.2171 -1.62 -1.45 -1.9137 -0.9975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P15 compound treatment 3.8127 -0.535 -0.51 4.4417 -0.4 -0.36 -0.6105 -0.9854 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P16 compound treatment 11.2647 6.92 6.55 12.0 7.16 6.39 9.1458 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P17 compound treatment 3.775 -0.573 -0.54 3.7751 -1.07 -0.95 -1.0563 -0.9644 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P18 compound treatment 3.8254 -0.522 -0.49 3.8168 -1.03 -0.91 -0.9963 -0.9583 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P19 compound treatment 4.0526 -0.295 -0.28 3.6193 -1.22 -1.09 -0.9688 -0.8603 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P20 compound treatment 3.0573 -1.29 -1.22 4.1858 -0.656 -0.59 -1.2776 -0.9433 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P21 compound treatment 3.6523 -0.695 -0.66 3.8431 -0.999 -0.89 -1.0956 -0.9889 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P22 compound treatment 3.9704 -0.377 -0.36 3.4569 -1.39 -1.24 -1.1262 -0.8756 3012189 CMLD2_000630 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](C)COC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P23 compound treatment 5.0313 0.684 0.65 3.7525 -1.09 -0.97 -0.2297 -0.1967 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2110 P24 compound treatment 2.7773 -1.57 -1.49 3.521 -1.32 -1.18 -1.8844 -0.9934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A01 compound treatment 4.0425 -0.044 -0.04 4.663 0.293 0.26 0.1556 0.5872 3012190 CMLD2_000633 CO[C@@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A02 compound treatment 4.2151 0.129 0.12 5.2577 0.888 0.79 0.6463 0.8063 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A03 compound treatment 4.8131 0.727 0.69 5.0992 0.73 0.65 0.9466 0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A04 compound treatment 5.1677 1.08 1.02 5.4321 1.06 0.95 1.394 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A05 compound treatment 4.5815 0.495 0.47 5.4641 1.09 0.98 1.0217 0.9434 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A06 compound treatment 4.5245 0.438 0.41 4.5171 0.147 0.13 0.3862 0.8878 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A07 compound treatment 4.5064 0.42 0.4 5.0245 0.655 0.58 0.6942 0.9824 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A08 compound treatment 4.6362 0.55 0.52 5.2693 0.9 0.8 0.9355 0.978 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A09 compound treatment 4.6013 0.515 0.49 5.1879 0.818 0.73 0.8608 0.9807 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A10 compound treatment 4.5554 0.469 0.44 4.3402 -0.0294 -0.03 0.2953 0.6641 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A11 compound treatment 4.2898 0.203 0.19 4.555 0.185 0.17 0.253 0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A12 compound treatment 5.1578 1.07 1.01 5.0537 0.684 0.61 1.1486 0.9705 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A13 mock treatment 4.4155 0.329 0.31 4.9747 0.605 0.54 0.6019 0.9658 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A14 mock treatment 4.1943 0.108 0.1 4.979 0.609 0.54 0.4566 0.8254 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A15 compound treatment 5.063 0.976 0.92 5.5385 1.17 1.04 1.391 0.9982 3131740 CMLD2_000645 CCc1cc2CN(CC/C(=N/OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A16 compound treatment 4.5358 0.449 0.43 5.5609 1.19 1.06 1.0522 0.9192 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A17 compound treatment 4.713 0.626 0.59 4.7943 0.425 0.38 0.6872 0.9766 3012195 CMLD2_000647 C[C@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cc(no5)c6c(C)cc(C)cc6C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A18 compound treatment 5.0331 0.947 0.9 4.6341 0.264 0.24 0.8004 0.8638 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A19 compound treatment 4.4889 0.402 0.38 4.1362 -0.233 -0.21 0.1221 0.2812 3012196 CMLD2_000649 C[C@H](ON=C(C)C)c1cc(no1)c2c(C)cc(C)cc2C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A20 compound treatment 4.0193 -0.0672 -0.06 5.2941 0.924 0.82 0.5382 0.6506 3131861 CMLD2_000650 CO/N=C/[C@@H](C)[C@H](OCc1ccccc1)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A21 compound treatment 4.2678 0.181 0.17 4.7439 0.374 0.33 0.3575 0.9522 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A22 compound treatment 4.6776 0.591 0.56 3.9812 -0.388 -0.35 0.1506 0.2288 3012197 CMLD2_000652 C[C@@H]1CC[C@@H]2N(C[C@@H](COC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A23 mock treatment 4.5961 0.51 0.48 5.0564 0.687 0.61 0.7743 0.993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 A24 mock treatment 3.9797 -0.107 -0.1 4.384 0.0144 0.01 -0.0624 -0.6125 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B01 compound treatment 4.4454 0.359 0.34 4.7239 0.354 0.32 0.4637 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B02 compound treatment 5.4796 1.39 1.32 4.5373 0.168 0.15 1.0382 0.7823 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B03 compound treatment 4.6064 0.52 0.49 3.8888 -0.481 -0.43 0.0446 0.0684 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B04 compound treatment 4.9988 0.912 0.86 5.9531 1.58 1.41 1.6097 0.9721 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B05 compound treatment 4.5168 0.43 0.41 5.2918 0.922 0.82 0.8698 0.9474 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B06 compound treatment 4.9332 0.847 0.8 5.0972 0.728 0.65 1.0257 0.9945 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B07 compound treatment 5.2132 1.13 1.07 6.4903 2.12 1.89 2.0921 0.9632 3012199 CMLD2_000659 C[C@@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B08 compound treatment 4.815 0.729 0.69 6.0256 1.66 1.48 1.5324 0.9398 3131866 CMLD2_000660 C[C@@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B09 compound treatment 4.1247 0.0382 0.04 4.4241 0.0544 0.05 0.0599 0.9895 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B10 compound treatment 4.0564 -0.0301 -0.03 5.2565 0.887 0.79 0.5393 0.6812 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B11 compound treatment 4.3309 0.244 0.23 4.4473 0.0776 0.07 0.2126 0.8802 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B12 compound treatment 4.2377 0.151 0.14 4.8697 0.5 0.45 0.4166 0.8893 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B13 mock treatment 4.232 0.145 0.14 4.7923 0.423 0.38 0.364 0.9068 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B14 mock treatment 4.8489 0.762 0.72 4.6857 0.316 0.28 0.7097 0.9159 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B15 compound treatment 3.9966 -0.0899 -0.09 4.957 0.587 0.52 0.3104 0.5847 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B16 compound treatment 4.695 0.609 0.58 5.0464 0.677 0.6 0.8343 0.9997 3012230 CMLD2_000666 CCc1cc2CN(CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B17 compound treatment 5.0036 0.917 0.87 4.6078 0.238 0.21 0.7641 0.8549 3131870 CMLD2_000667 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B18 compound treatment 5.5592 1.47 1.39 4.3075 -0.0622 -0.06 0.9465 0.6784 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B19 compound treatment 4.3523 0.266 0.25 5.2844 0.915 0.82 0.755 0.884 3131871 CMLD2_000669 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CON=C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B20 compound treatment 5.2199 1.13 1.07 6.4494 2.08 1.86 2.0707 0.9661 3012232 CMLD2_000670 CCc1cc2CN(CC/C(=N/OC)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B21 compound treatment 3.1587 -0.928 -0.88 3.034 -1.34 -1.19 -1.4637 -0.9887 3131872 CMLD2_000671 C[C@@H]1CC[C@@H]2N(C[C@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B22 compound treatment 3.3494 -0.737 -0.7 4.2979 -0.0717 -0.06 -0.5386 -0.7687 3131873 CMLD2_000672 COc1ccc(OC[C@H]2CN3[C@H]([C@H](C)CC[C@H]3C(=O)O2)c4ccc(Br)cc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B23 mock treatment 4.4906 0.404 0.38 4.7317 0.362 0.32 0.4989 0.9965 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 B24 mock treatment 4.1937 0.107 0.1 4.6667 0.297 0.26 0.2591 0.9132 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C01 compound treatment 4.6319 0.545 0.52 4.4995 0.13 0.12 0.4469 0.8447 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C02 compound treatment 4.2967 0.21 0.2 4.8524 0.483 0.43 0.4452 0.9384 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C03 compound treatment 4.4485 0.362 0.34 4.3446 -0.0251 -0.02 0.2265 0.6595 3131874 CMLD2_000675 CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)CCC[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C04 compound treatment 4.1544 0.0679 0.06 4.2999 -0.0698 -0.06 0.0014 0.0158 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C05 compound treatment 3.7353 -0.351 -0.33 4.3716 0.00194 0.0 -0.2339 -0.7034 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C06 compound treatment 3.8622 -0.224 -0.21 4.8972 0.528 0.47 0.1827 0.3538 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C07 compound treatment 3.9809 -0.106 -0.1 4.0009 -0.369 -0.33 -0.3033 -0.8821 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C08 compound treatment 4.2869 0.2 0.19 4.8457 0.476 0.42 0.4345 0.934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C09 compound treatment 3.9541 -0.132 -0.13 3.7789 -0.591 -0.53 -0.4613 -0.8515 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C10 compound treatment 3.8486 -0.238 -0.23 3.9194 -0.45 -0.4 -0.4433 -0.9626 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C11 mock treatment 3.5458 -0.541 -0.51 4.4088 0.0391 0.03 -0.3373 -0.6574 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C12 mock treatment 3.5391 -0.547 -0.52 4.5762 0.207 0.18 -0.2361 -0.4293 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C13 compound treatment 3.7969 -0.29 -0.27 4.1622 -0.207 -0.19 -0.3247 -0.9817 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C14 compound treatment 4.7048 0.618 0.59 4.4219 0.0522 0.05 0.4468 0.761 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C15 mock treatment 4.4994 0.413 0.39 4.3955 0.0258 0.02 0.2927 0.7475 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C16 mock treatment 3.4405 -0.646 -0.61 4.7939 0.424 0.38 -0.1648 -0.2291 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C17 compound treatment 3.967 -0.119 -0.11 5.543 1.17 1.05 0.6603 0.6271 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C18 compound treatment 4.2457 0.159 0.15 5.1073 0.738 0.66 0.5719 0.8471 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C19 compound treatment 4.5615 0.475 0.45 4.2017 -0.168 -0.15 0.212 0.4472 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C20 compound treatment 5.0266 0.94 0.89 4.8819 0.512 0.46 0.9525 0.952 3131996 CMLD2_000688 CO/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C21 compound treatment 3.852 -0.235 -0.22 4.4665 0.0968 0.09 -0.0959 -0.4025 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C22 compound treatment 3.557 -0.53 -0.5 4.4222 0.0526 0.05 -0.3213 -0.6381 3131997 CMLD2_000690 COc1ccc(OC[C@@H]2CC3[C@H]([C@H](C)CC[C@H]3C(=O)O2)c4ccc(Br)cc4)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C23 mock treatment 3.9024 -0.184 -0.17 3.9204 -0.449 -0.4 -0.4067 -0.9304 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 C24 mock treatment 3.7686 -0.318 -0.3 3.8665 -0.503 -0.45 -0.5302 -0.9811 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D01 compound treatment 4.3015 0.215 0.2 4.7144 0.345 0.31 0.3614 0.9799 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D02 compound treatment 4.4599 0.373 0.35 4.4591 0.0894 0.08 0.3063 0.8454 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D03 compound treatment 4.399 0.312 0.3 4.1414 -0.228 -0.2 0.0651 0.1814 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D04 compound treatment 4.1237 0.0372 0.04 5.4336 1.06 0.95 0.6961 0.7328 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D05 compound treatment 4.9348 0.848 0.8 4.5161 0.146 0.13 0.6602 0.8115 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D06 compound treatment 4.0541 -0.0324 -0.03 4.2541 -0.116 -0.1 -0.0946 -0.8792 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D07 compound treatment 3.5616 -0.525 -0.5 4.1971 -0.173 -0.15 -0.4602 -0.8848 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D08 compound treatment 4.2806 0.194 0.18 5.5388 1.17 1.04 0.8675 0.819 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D09 compound treatment 3.9052 -0.181 -0.17 4.3684 -0.00125 0.0 -0.1221 -0.7117 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D10 compound treatment 4.0917 0.00521 0.0 3.9683 -0.401 -0.36 -0.2498 -0.6973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D11 mock treatment 4.0439 -0.0427 -0.04 4.2488 -0.121 -0.11 -0.1048 -0.9101 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D12 mock treatment 4.0271 -0.0594 -0.06 4.3476 -0.0221 -0.02 -0.0537 -0.9011 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D13 compound treatment 3.8233 -0.263 -0.25 4.6061 0.236 0.21 -0.027 -0.0827 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D14 compound treatment 4.1088 0.0223 0.02 4.1014 -0.268 -0.24 -0.1543 -0.6423 3132004 CMLD2_000702 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC(C)CN2CCCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D15 mock treatment 3.8978 -0.189 -0.18 4.7983 0.429 0.38 0.1441 0.3415 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D16 mock treatment 4.5448 0.458 0.43 4.3915 0.0218 0.02 0.3205 0.738 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D17 compound treatment 3.833 -0.254 -0.24 4.12 -0.25 -0.22 -0.3272 -0.9993 3132005 CMLD2_000703 C[C@@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@H](CO)Cc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D18 compound treatment 4.1227 0.0362 0.03 4.4297 0.06 0.05 0.0621 0.9766 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D19 compound treatment 3.8732 -0.213 -0.2 4.1742 -0.195 -0.17 -0.2661 -0.9973 3132006 CMLD2_000705 C[C@@H](ON=C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D20 compound treatment 4.2338 0.147 0.14 4.1055 -0.264 -0.24 -0.0681 -0.2485 3012284 CMLD2_000706 CO/N=C/[C@@H](OC)[C@H](C)\C=C\CC(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D21 compound treatment 4.1736 0.0871 0.08 3.6841 -0.686 -0.61 -0.3742 -0.6063 3132007 CMLD2_000707 CCCC[C@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D22 compound treatment 3.7628 -0.324 -0.31 4.565 0.195 0.17 -0.0935 -0.2652 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D23 mock treatment 4.131 0.0445 0.04 4.3994 0.0297 0.03 0.0485 0.975 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 D24 mock treatment 3.7178 -0.369 -0.35 3.2434 -1.13 -1.0 -0.9573 -0.9 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E01 mock treatment 3.964 -0.123 -0.12 3.8557 -0.514 -0.46 -0.4063 -0.8589 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E02 mock treatment 3.7173 -0.369 -0.35 4.3253 -0.0443 -0.04 -0.2751 -0.7821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E03 compound treatment 4.8893 0.803 0.76 4.2505 -0.119 -0.11 0.4622 0.6023 3012286 CMLD2_000709 CO[C@@H]1COC(=O)CCC[C@@H](C)[C@@H](COC(=O)CCC[C@H]1C)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E04 compound treatment 5.2114 1.12 1.06 4.9023 0.533 0.48 1.0889 0.9339 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E05 compound treatment 4.6912 0.605 0.57 4.5944 0.225 0.2 0.5465 0.9011 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E06 compound treatment 4.4542 0.368 0.35 4.3527 -0.017 -0.02 0.2354 0.6757 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E07 compound treatment 4.4901 0.404 0.38 4.7711 0.401 0.36 0.5234 0.9995 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E08 compound treatment 4.1806 0.0941 0.09 5.1871 0.817 0.73 0.5787 0.7876 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E09 mock treatment 3.9566 -0.13 -0.12 3.9646 -0.405 -0.36 -0.3425 -0.8972 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E10 mock treatment 3.8797 -0.207 -0.2 4.0206 -0.349 -0.31 -0.3587 -0.9749 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E11 compound treatment 1.5172 -2.57 -2.43 1.4048 -2.96 -2.65 -3.5902 -0.9991 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E12 compound treatment 4.5361 0.45 0.43 4.2489 -0.121 -0.11 0.2248 0.512 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E13 compound treatment 3.6268 -0.46 -0.44 4.3832 0.0135 0.01 -0.2992 -0.6873 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E14 compound treatment 3.6567 -0.43 -0.41 4.5078 0.138 0.12 -0.2005 -0.4718 3132130 CMLD2_000718 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC(C)CN2CCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E15 compound treatment 3.9812 -0.105 -0.1 5.2497 0.88 0.79 0.4847 0.6124 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E16 compound treatment 4.1741 0.0876 0.08 4.7237 0.354 0.32 0.282 0.8634 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E17 mock treatment 4.3513 0.265 0.25 4.0672 -0.302 -0.27 -0.0136 -0.0368 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E18 mock treatment 3.827 -0.26 -0.25 4.1138 -0.256 -0.23 -0.3351 -0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E19 compound treatment 5.4214 1.33 1.26 5.9519 1.58 1.41 1.8917 0.9985 3012338 CMLD2_000721 CO/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E20 mock treatment 4.2829 0.196 0.19 5.0248 0.655 0.58 0.5448 0.8882 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E21 compound treatment 4.0653 -0.0212 -0.02 4.1376 -0.232 -0.21 -0.1606 -0.7721 3131584 CMLD2_000722 C[C@@H]1CC[C@@H]2N(C[C@@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E22 compound treatment 4.9155 0.829 0.78 5.674 1.3 1.16 1.3777 0.9816 3012339 CMLD2_000723 COC(=O)C/C=C/[C@@H](C)[C@H](OCc1cccc(c1)c2ccccc2)C3CCCCC3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E23 mock treatment 3.479 -0.608 -0.58 4.3672 -0.0025 0.0 -0.4082 -0.7098 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 E24 mock treatment 3.7955 -0.291 -0.28 4.9854 0.616 0.55 0.1937 0.3152 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F01 mock treatment 5.23 1.14 1.08 4.0362 -0.333 -0.3 0.555 0.4944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F02 mock treatment 4.4272 0.341 0.32 4.168 -0.202 -0.18 0.1009 0.2731 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F03 compound treatment 5.9101 1.82 1.73 4.6692 0.3 0.27 1.4096 0.807 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F04 compound treatment 5.1932 1.11 1.05 5.5035 1.13 1.01 1.4561 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F05 compound treatment 4.7357 0.649 0.61 5.2758 0.906 0.81 1.0062 0.9908 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F06 compound treatment 4.6051 0.519 0.49 5.0058 0.636 0.57 0.7484 0.9974 3012341 CMLD2_000727 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCCc4nc(C)c(C)cc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F07 compound treatment 4.7584 0.672 0.64 5.5723 1.2 1.07 1.2085 0.9688 3132135 CMLD2_000728 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCc4nc(C)c(C)cc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F08 compound treatment 4.2612 0.175 0.17 4.5071 0.137 0.12 0.2037 0.9891 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F09 mock treatment 4.7832 0.697 0.66 4.2608 -0.109 -0.1 0.3976 0.5965 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F10 mock treatment 4.007 -0.0795 -0.08 4.3671 -0.00257 0.0 -0.0548 -0.7283 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F11 compound treatment 6.5797 2.49 2.36 6.9346 2.56 2.29 3.287 0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F12 compound treatment 4.1158 0.0293 0.03 4.8862 0.517 0.46 0.3455 0.7483 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F13 compound treatment 3.4735 -0.613 -0.58 4.1961 -0.174 -0.15 -0.5199 -0.8655 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F14 compound treatment 4.5538 0.467 0.44 4.5348 0.165 0.15 0.417 0.8943 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F15 compound treatment 4.8857 0.799 0.76 4.7822 0.413 0.37 0.7952 0.9452 3132138 CMLD2_000734 CCc1cc2CN(CC/C(=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F16 compound treatment 4.4877 0.401 0.38 4.2581 -0.112 -0.1 0.1981 0.5047 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F17 mock treatment 3.7971 -0.289 -0.27 3.7565 -0.613 -0.55 -0.5806 -0.9489 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F18 mock treatment 4.1498 0.0633 0.06 4.3993 0.0297 0.03 0.0611 0.9324 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F19 compound treatment 3.7508 -0.336 -0.32 4.5253 0.156 0.14 -0.1265 -0.3648 3012344 CMLD2_000736 CO/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F20 mock treatment 4.0325 -0.054 -0.05 4.5528 0.183 0.16 0.0794 0.4636 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F21 compound treatment 4.301 0.214 0.2 4.7982 0.429 0.38 0.4139 0.9561 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F22 compound treatment 4.3231 0.237 0.22 5.0173 0.648 0.58 0.5669 0.9149 3132140 CMLD2_000738 CO[C@@H]([C@H](C)/C=C/CC(=O)OCCCc1ccccc1)C2CCCCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F23 mock treatment 3.9345 -0.152 -0.14 4.0918 -0.278 -0.25 -0.277 -0.9665 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 F24 mock treatment 3.9775 -0.109 -0.1 3.8475 -0.522 -0.47 -0.4024 -0.8432 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G01 compound treatment 4.8663 0.78 0.74 4.3102 -0.0594 -0.05 0.4845 0.6546 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G02 compound treatment 4.8125 0.726 0.69 4.7387 0.369 0.33 0.7188 0.9432 3012346 CMLD2_000740 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G03 mock treatment 3.8252 -0.261 -0.25 4.4541 0.0844 0.08 -0.1216 -0.4704 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G04 mock treatment 4.4314 0.345 0.33 4.7725 0.403 0.36 0.485 0.9989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G05 compound treatment 4.211 0.124 0.12 4.7693 0.4 0.36 0.3354 0.8933 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G06 compound treatment 5.1252 1.04 0.98 5.2981 0.928 0.83 1.281 0.9964 3012347 CMLD2_000742 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCCc4nc(C)c(C)cc34 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G07 mock treatment 4.7905 0.704 0.67 5.0878 0.718 0.64 0.9243 0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G08 mock treatment 4.6309 0.544 0.52 4.6039 0.234 0.21 0.5122 0.921 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G09 compound treatment 3.9907 -0.0958 -0.09 4.5457 0.176 0.16 0.0469 0.2588 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G10 compound treatment 4.2288 0.142 0.13 7.1002 2.73 2.44 1.8179 0.7451 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G11 compound treatment 5.2443 1.16 1.1 5.663 1.29 1.15 1.5909 0.9997 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G12 compound treatment 5.5676 1.48 1.4 4.3794 0.00971 0.01 0.9975 0.7115 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G13 compound treatment 4.8231 0.737 0.7 5.4117 1.04 0.93 1.1504 0.9899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G14 compound treatment 4.6696 0.583 0.55 4.8839 0.514 0.46 0.7147 0.9958 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G15 compound treatment 4.9726 0.886 0.84 5.0755 0.706 0.63 1.0384 0.99 3132147 CMLD2_000749 CCc1cc2CN(CC/C(=N/OC(C)CN3CCCc4nc(C)c(C)cc34)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G16 compound treatment 5.1407 1.05 1.0 5.2075 0.838 0.75 1.2342 0.9899 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G17 compound treatment 4.2586 0.172 0.16 5.0305 0.661 0.59 0.5321 0.8699 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G18 compound treatment 4.3182 0.232 0.22 4.6931 0.323 0.29 0.3591 0.9908 3132267 CMLD2_000752 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CON=C(C)C)c3ccccc3)cc1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G19 mock treatment 4.4242 0.338 0.32 4.868 0.498 0.44 0.5404 0.9869 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G20 mock treatment 4.4167 0.33 0.31 4.7254 0.356 0.32 0.4454 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G21 compound treatment 4.4813 0.395 0.37 5.1114 0.742 0.66 0.7322 0.9634 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G22 compound treatment 5.4636 1.38 1.3 6.9763 2.61 2.33 2.5663 0.9626 3132268 CMLD2_000754 CO[C@H]([C@@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)CO)C2CCCCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G23 mock treatment 3.7061 -0.38 -0.36 4.2791 -0.0906 -0.08 -0.3118 -0.8448 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 G24 mock treatment 3.9598 -0.127 -0.12 4.3282 -0.0415 -0.04 -0.1109 -0.8842 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H01 compound treatment 4.3614 0.275 0.26 4.7822 0.413 0.37 0.4443 0.9856 3012408 CMLD2_000755 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@@H]1C)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H02 compound treatment 4.6465 0.56 0.53 4.5131 0.143 0.13 0.4653 0.8533 3132269 CMLD2_000756 C[C@H]/1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C\C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H03 mock treatment 4.8869 0.8 0.76 4.6681 0.298 0.27 0.724 0.9016 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H04 mock treatment 4.8788 0.792 0.75 4.7471 0.377 0.34 0.7684 0.9347 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H05 compound treatment 4.7645 0.678 0.64 5.3307 0.961 0.86 1.0601 0.9898 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H06 compound treatment 4.9807 0.894 0.85 4.1211 -0.249 -0.22 0.4418 0.5048 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H07 mock treatment 5.2196 1.13 1.07 4.7055 0.336 0.3 0.9703 0.8713 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H08 compound treatment 4.6433 0.557 0.53 4.4961 0.126 0.11 0.4525 0.8394 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H09 compound treatment 4.3462 0.26 0.25 4.9039 0.534 0.48 0.5109 0.9525 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H10 compound treatment 4.5848 0.498 0.47 4.5474 0.178 0.16 0.4457 0.8956 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H11 compound treatment 5.1374 1.05 0.99 4.5016 0.132 0.12 0.7866 0.7853 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H12 compound treatment 4.3254 0.239 0.23 4.4313 0.0616 0.05 0.1988 0.8541 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H13 compound treatment 4.7122 0.626 0.59 4.784 0.414 0.37 0.6802 0.9743 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H14 compound treatment 4.5127 0.426 0.4 5.3236 0.954 0.85 0.8871 0.9418 3132275 CMLD2_000765 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC[C@@H](O)COCc2ccco2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H15 compound treatment 4.9681 0.882 0.83 5.5695 1.2 1.07 1.3471 0.9924 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H16 compound treatment 4.6412 0.555 0.53 5.5179 1.15 1.02 1.0957 0.9518 3132276 CMLD2_000767 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H17 compound treatment 5.2545 1.17 1.11 4.9695 0.6 0.54 1.1602 0.9445 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H18 compound treatment 4.466 0.38 0.36 4.8131 0.443 0.4 0.5338 0.9988 3012416 CMLD2_000769 CCCNC(=O)OC[C@H]1O[C@H](CCON=C(C)C)C=C[C@@H]1Oc2ccc(OC)cc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H19 mock treatment 4.1524 0.0659 0.06 4.9129 0.543 0.48 0.3869 0.7916 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H20 mock treatment 4.3708 0.284 0.27 4.8011 0.431 0.38 0.4625 0.9847 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H21 compound treatment 4.8386 0.752 0.71 5.1985 0.829 0.74 1.0263 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H22 compound treatment 4.322 0.235 0.22 4.4065 0.0369 0.03 0.1809 0.8027 3012418 CMLD2_000771 CO[C@H]1[C@H](C)/C(=C\CCOCC#CC)/c2ccccc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H23 mock treatment 5.0531 0.967 0.91 4.7712 0.401 0.36 0.9003 0.9162 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 H24 mock treatment 3.6392 -0.447 -0.42 4.1587 -0.211 -0.19 -0.4325 -0.9334 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I01 compound treatment 4.316 0.229 0.22 4.7723 0.403 0.36 0.4076 0.971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I02 compound treatment 4.1138 0.0273 0.03 4.7571 0.387 0.35 0.2627 0.7578 3012419 CMLD2_000773 C[C@@H]/1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C\C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I03 compound treatment 4.7027 0.616 0.58 4.7211 0.351 0.31 0.6342 0.9576 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I04 compound treatment 4.237 0.15 0.14 5.401 1.03 0.92 0.7514 0.807 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I05 mock treatment 4.9374 0.851 0.81 4.8346 0.465 0.41 0.8628 0.9524 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I06 mock treatment 4.6648 0.578 0.55 4.513 0.143 0.13 0.4776 0.8494 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I07 compound treatment 5.5806 1.49 1.41 5.4274 1.06 0.94 1.6674 0.9807 3012420 CMLD2_000776 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I08 compound treatment 4.5981 0.512 0.48 4.2616 -0.108 -0.1 0.2743 0.5555 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I09 compound treatment 4.0364 -0.0501 -0.05 5.3145 0.945 0.84 0.5625 0.6663 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I10 compound treatment 5.1949 1.11 1.05 5.598 1.23 1.1 1.5168 0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I11 compound treatment 4.5099 0.423 0.4 4.7456 0.376 0.34 0.5205 0.9961 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I12 compound treatment 4.5438 0.457 0.43 4.1793 -0.19 -0.17 0.186 0.4 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I13 compound treatment 3.7345 -0.352 -0.33 3.4858 -0.884 -0.79 -0.7932 -0.9266 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I14 compound treatment 4.8905 0.804 0.76 4.2717 -0.098 -0.09 0.4764 0.6218 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I15 compound treatment 6.6391 2.55 2.42 5.6961 1.33 1.18 2.5454 0.946 3132285 CMLD2_000784 CCc1cc2CN(CC/C(=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I16 compound treatment 4.8711 0.785 0.74 5.281 0.911 0.81 1.1001 0.999 3012476 CMLD2_000785 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I17 compound treatment 4.8825 0.796 0.75 4.7919 0.422 0.38 0.7992 0.9487 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I18 compound treatment 4.2943 0.208 0.2 4.4669 0.0972 0.09 0.2004 0.9323 3012477 CMLD2_000787 CC(=NOCC[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I19 compound treatment 4.3627 0.276 0.26 4.7265 0.357 0.32 0.41 0.9952 3132409 CMLD2_000788 CO/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I20 mock treatment 4.4419 0.355 0.34 4.4783 0.109 0.1 0.3064 0.8753 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I21 mock treatment 4.0805 -0.00596 -0.01 5.0369 0.667 0.6 0.417 0.7004 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I22 mock treatment 4.1586 0.0721 0.07 5.539 1.17 1.04 0.7859 0.7518 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I23 mock treatment 3.8865 -0.2 -0.19 3.8982 -0.471 -0.42 -0.4313 -0.935 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 I24 mock treatment 3.6922 -0.394 -0.37 4.6745 0.305 0.27 -0.0716 -0.155 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J01 compound treatment 4.0957 0.00916 0.01 4.8559 0.486 0.43 0.3129 0.7211 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J02 compound treatment 4.3056 0.219 0.21 4.7086 0.339 0.3 0.3605 0.9831 3012478 CMLD2_000790 CO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J03 compound treatment 5.3266 1.24 1.17 4.4196 0.0499 0.04 0.8616 0.7334 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J04 compound treatment 4.483 0.397 0.38 5.087 0.717 0.64 0.7179 0.9677 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J05 mock treatment 4.1763 0.0898 0.08 4.6219 0.252 0.23 0.2192 0.9113 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J06 mock treatment 4.1045 0.018 0.02 4.7663 0.397 0.35 0.2623 0.7403 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J07 compound treatment 4.655 0.569 0.54 5.4312 1.06 0.95 1.0502 0.9641 3012479 CMLD2_000793 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J08 compound treatment 4.5181 0.432 0.41 4.6959 0.326 0.29 0.4947 0.9862 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J09 compound treatment 4.3057 0.219 0.21 5.251 0.881 0.79 0.7027 0.8641 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J10 compound treatment 2.4741 -1.61 -1.53 2.8167 -1.55 -1.39 -2.059 -0.9988 3132414 CMLD2_000796 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC(C)CN4CCCCc5nc(C)c(C)cc45)/[C@@H]2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J11 compound treatment 4.4022 0.316 0.3 4.6051 0.235 0.21 0.3599 0.9851 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J12 compound treatment 5.0 0.913 0.86 4.6742 0.305 0.27 0.8036 0.8865 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J13 compound treatment 4.2804 0.194 0.18 3.9146 -0.455 -0.41 -0.1573 -0.353 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J14 compound treatment 4.4433 0.357 0.34 4.2966 -0.0731 -0.07 0.1927 0.5602 3012482 CMLD2_000800 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J15 compound treatment 4.8594 0.773 0.73 5.3882 1.02 0.91 1.1599 0.9942 3132417 CMLD2_000801 CCc1cc2CN(CC/C(=N/OC[C@@H](O)COCc3ccco3)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J16 compound treatment 5.0851 0.999 0.95 5.7488 1.38 1.23 1.5385 0.9915 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J17 compound treatment 4.2348 0.148 0.14 5.3838 1.01 0.9 0.739 0.8072 3132418 CMLD2_000803 CO[C@H](/C=N/OC(C)CN1CCCCc2nc(C)c(C)cc12)[C@H](C)/C=C/CC(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J18 compound treatment 3.8739 -0.213 -0.2 5.0155 0.646 0.58 0.2652 0.4345 3012486 CMLD2_000804 CC(CN1CCCCc2nc(C)c(C)cc12)ON=C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J19 compound treatment 4.8791 0.793 0.75 5.1097 0.74 0.66 0.9974 0.998 3132419 CMLD2_000805 CO/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J20 mock treatment 4.2891 0.203 0.19 4.9396 0.57 0.51 0.4951 0.9111 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J21 mock treatment 6.754 2.67 2.53 4.8568 0.487 0.43 2.0928 0.8168 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J22 mock treatment 3.6628 -0.424 -0.4 4.689 0.319 0.28 -0.0821 -0.1669 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J23 mock treatment 4.4055 0.319 0.3 3.9093 -0.46 -0.41 -0.0769 -0.1509 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 J24 mock treatment 4.4709 0.384 0.36 3.9888 -0.381 -0.34 0.017 0.0341 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K01 compound treatment 4.3312 0.245 0.23 4.6837 0.314 0.28 0.3619 0.9955 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K02 compound treatment 4.0099 -0.0766 -0.07 4.4038 0.0342 0.03 -0.0297 -0.378 3012487 CMLD2_000807 C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](Cc3ccccc3)NC1=O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K03 compound treatment 5.2462 1.16 1.1 4.7896 0.42 0.37 1.0412 0.8976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K04 compound treatment 4.2519 0.165 0.16 4.9703 0.601 0.54 0.4896 0.877 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K05 compound treatment 5.3992 1.31 1.24 4.3261 -0.0436 -0.04 0.8511 0.6847 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K06 compound treatment 4.5446 0.458 0.43 4.4994 0.13 0.12 0.3885 0.8656 3132423 CMLD2_000811 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K07 mock treatment 4.1606 0.0741 0.07 5.0421 0.672 0.6 0.4738 0.7845 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K08 mock treatment 4.0021 -0.0844 -0.08 4.4013 0.0317 0.03 -0.0365 -0.4308 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K09 compound treatment 3.9157 -0.171 -0.16 4.4645 0.0948 0.08 -0.0545 -0.2986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K10 compound treatment 6.5077 2.42 2.29 5.7521 1.38 1.23 2.4928 0.9578 3011824 CMLD2_000813 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC(C)CN4CCCc5nc(C)c(C)cc45)/[C@@H]2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K11 compound treatment 4.5984 0.512 0.48 4.6359 0.266 0.24 0.5106 0.9462 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K12 compound treatment 3.9681 -0.118 -0.11 4.1103 -0.259 -0.23 -0.2429 -0.9446 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K13 compound treatment 4.3187 0.232 0.22 4.5909 0.221 0.2 0.295 0.9986 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K14 compound treatment 4.0991 0.0126 0.01 4.7357 0.366 0.33 0.2394 0.7325 3132547 CMLD2_000817 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H](C)c2cc(no2)c3c(C)cc(C)cc3C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K15 mock treatment 4.132 0.0455 0.04 4.309 -0.0607 -0.05 -0.0079 -0.1137 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K16 mock treatment 4.5327 0.446 0.42 4.5736 0.204 0.18 0.4273 0.9291 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K17 compound treatment 4.1708 0.0843 0.08 4.9499 0.58 0.52 0.4225 0.8065 3011826 CMLD2_000818 CO[C@H](/C=N/OC(C)CN1CCCc2nc(C)c(C)cc12)[C@H](C)/C=C/CC(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K18 compound treatment 4.8039 0.717 0.68 4.9284 0.559 0.5 0.8327 0.9884 3132548 CMLD2_000819 CC(CN1CCCc2nc(C)c(C)cc12)ON=C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K19 compound treatment 4.423 0.336 0.32 5.4161 1.05 0.93 0.8854 0.8976 3011827 CMLD2_000820 CO/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K20 compound treatment 4.5941 0.508 0.48 3.8835 -0.486 -0.43 0.0331 0.0511 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K21 compound treatment 4.4679 0.381 0.36 3.6397 -0.73 -0.65 -0.2053 -0.2757 3132549 CMLD2_000822 C[C@@H]1CC[C@@H]2N(C[C@H](Cc3ccccc3)OC2=O)[C@H]1c4ccc(Br)cc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K22 compound treatment 3.7849 -0.302 -0.29 4.5943 0.225 0.2 -0.0602 -0.1725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K23 mock treatment 3.7891 -0.297 -0.28 5.0276 0.658 0.59 0.216 0.3318 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 K24 mock treatment 3.5269 -0.56 -0.53 4.1307 -0.239 -0.21 -0.5253 -0.92 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L01 compound treatment 3.9063 -0.18 -0.17 4.511 0.141 0.13 -0.0314 -0.1482 3011828 CMLD2_000824 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@@H]1C)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L02 compound treatment 4.1316 0.0451 0.04 4.2449 -0.125 -0.11 -0.0485 -0.4069 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L03 compound treatment 5.3506 1.26 1.2 4.2423 -0.127 -0.11 0.7658 0.6371 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L04 compound treatment 4.3664 0.28 0.26 4.8923 0.523 0.47 0.5171 0.9641 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L05 compound treatment 4.608 0.522 0.49 4.5095 0.14 0.12 0.4373 0.8588 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L06 compound treatment 4.2978 0.211 0.2 4.1052 -0.265 -0.24 -0.0255 -0.0824 3011830 CMLD2_000829 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L07 mock treatment 4.1729 0.0864 0.08 4.436 0.0664 0.06 0.0997 0.9874 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L08 mock treatment 3.9795 -0.107 -0.1 4.637 0.267 0.24 0.097 0.3744 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L09 compound treatment 4.8615 0.775 0.73 3.8392 -0.53 -0.47 0.1841 0.2109 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L10 compound treatment 7.6764 3.59 3.4 8.5929 4.22 3.77 5.0672 0.9987 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L11 compound treatment 4.9116 0.825 0.78 4.5754 0.206 0.18 0.682 0.8501 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L12 compound treatment 3.9277 -0.159 -0.15 4.1313 -0.238 -0.21 -0.2567 -0.9856 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L13 compound treatment 4.7667 0.68 0.64 5.0536 0.684 0.61 0.8868 0.9996 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L14 compound treatment 4.0087 -0.0778 -0.07 4.2809 -0.0888 -0.08 -0.1081 -0.9993 3132557 CMLD2_000835 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L15 mock treatment 4.7148 0.628 0.59 4.334 -0.0356 -0.03 0.398 0.6684 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L16 mock treatment 5.2465 1.16 1.1 4.4374 0.0678 0.06 0.8192 0.7449 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L17 compound treatment 4.037 -0.0495 -0.05 4.7308 0.361 0.32 0.1947 0.5981 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L18 compound treatment 3.7283 -0.358 -0.34 3.9948 -0.375 -0.33 -0.4763 -1.0 3011833 CMLD2_000837 CC(=NOC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L19 compound treatment 3.8488 -0.238 -0.23 4.6767 0.307 0.27 0.0346 0.0975 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L20 compound treatment 4.1621 0.0756 0.07 4.4563 0.0866 0.08 0.1052 0.9993 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L21 compound treatment 4.1607 0.0742 0.07 4.6138 0.244 0.22 0.2037 0.89 3132529 CMLD2_000840 CCCC[C@@H]1CN2[C@@H]([C@@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L22 compound treatment 4.3315 0.245 0.23 4.7841 0.414 0.37 0.4255 0.9748 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L23 mock treatment 4.1099 0.0234 0.02 4.9765 0.607 0.54 0.3985 0.7354 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 L24 mock treatment 3.6505 -0.436 -0.41 3.3474 -1.02 -0.91 -0.9368 -0.9357 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M01 compound treatment 3.5774 -0.509 -0.48 4.2533 -0.116 -0.1 -0.4142 -0.8401 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M02 compound treatment 3.3781 -0.708 -0.67 3.5687 -0.801 -0.71 -0.9795 -0.9995 3011836 CMLD2_000843 C[C@H]/1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C\C=C1 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M03 compound treatment 3.454 -0.632 -0.6 3.6727 -0.697 -0.62 -0.8631 -0.9998 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M04 compound treatment 3.7847 -0.302 -0.29 4.1358 -0.234 -0.21 -0.3495 -0.9881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M05 compound treatment 4.3867 0.3 0.28 4.0385 -0.331 -0.3 -0.008 -0.0195 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M06 compound treatment 3.7911 -0.295 -0.28 5.0422 0.672 0.6 0.2265 0.3422 3132563 CMLD2_000847 C[C@@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@@H]4COC[C@H]4O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M07 compound treatment 4.4863 0.4 0.38 4.88 0.51 0.46 0.5896 0.9958 3011871 CMLD2_000848 C[C@@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@@H]4COC[C@H]4O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M08 compound treatment 4.2758 0.189 0.18 4.4714 0.102 0.09 0.1909 0.9502 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M09 mock treatment 5.115 1.03 0.97 4.2277 -0.142 -0.13 0.5989 0.61 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M10 mock treatment 4.2444 0.158 0.15 4.8484 0.479 0.43 0.4077 0.901 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M11 compound treatment 3.9379 -0.149 -0.14 4.1061 -0.264 -0.24 -0.2657 -0.9698 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M12 compound treatment 4.0855 -0.00102 0.0 3.5572 -0.812 -0.72 -0.5132 -0.708 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M13 mock treatment 4.1105 0.024 0.02 4.8618 0.492 0.44 0.3265 0.7427 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M14 mock treatment 4.191 0.105 0.1 4.7116 0.342 0.31 0.2857 0.8908 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M15 compound treatment 3.9385 -0.148 -0.14 4.472 0.102 0.09 -0.0345 -0.2063 3132566 CMLD2_000852 CCc1cc2CN(CC/C(=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M16 compound treatment 4.3305 0.244 0.23 6.0581 1.69 1.51 1.2285 0.8061 3011873 CMLD2_000853 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M17 compound treatment 4.0499 -0.0366 -0.03 5.6972 1.33 1.18 0.813 0.6861 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M18 compound treatment 5.1644 1.08 1.02 5.3592 0.99 0.88 1.3458 0.9974 3011875 CMLD2_000855 CC(=NOC1C=C[C@@H](CC=C)O[C@@H]1CO)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M19 compound treatment 4.1334 0.0469 0.04 5.1025 0.733 0.65 0.4937 0.7534 3130491 CMLD2_000856 CO/N=C/[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)\C=C\CC(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M20 compound treatment 4.1385 0.052 0.05 4.9953 0.626 0.56 0.4295 0.7665 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M21 compound treatment 4.2443 0.158 0.15 5.9568 1.59 1.42 1.1069 0.7774 3011876 CMLD2_000858 C[C@H]1CC[C@@H]2N(C[C@@H](CO)OC2=O)[C@@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M22 compound treatment 5.0809 0.994 0.94 5.0289 0.659 0.59 1.0815 0.9744 3130492 CMLD2_000859 CO[C@@H]([C@H](C)/C=C/CC(=O)OC)c1ccccc1Br 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M23 mock treatment 4.0079 -0.0786 -0.07 4.1864 -0.183 -0.16 -0.1682 -0.9365 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 M24 mock treatment 3.5798 -0.507 -0.48 3.5547 -0.815 -0.73 -0.8533 -0.9796 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N01 compound treatment 3.6735 -0.413 -0.39 4.4522 0.0826 0.07 -0.2243 -0.5639 3130493 CMLD2_000860 CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)CCC[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N02 compound treatment 3.8002 -0.286 -0.27 4.1261 -0.244 -0.22 -0.3453 -0.994 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N03 compound treatment 4.6175 0.531 0.5 4.5222 0.152 0.14 0.4516 0.8673 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N04 compound treatment 4.1964 0.11 0.1 4.2617 -0.108 -0.1 0.0054 0.038 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N05 compound treatment 4.8667 0.78 0.74 4.1938 -0.176 -0.16 0.4113 0.5447 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N06 compound treatment 5.9497 1.86 1.76 4.2789 -0.0908 -0.08 1.1898 0.6739 3130496 CMLD2_000865 C[C@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N07 compound treatment 4.2171 0.131 0.12 4.1775 -0.192 -0.17 -0.0338 -0.1598 3011879 CMLD2_000866 C[C@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N08 compound treatment 1.8446 -2.24 -2.12 1.6003 -2.77 -2.47 -3.2477 -0.9971 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N09 mock treatment 3.5077 -0.579 -0.55 4.909 0.539 0.48 -0.0471 -0.0646 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N10 mock treatment 4.1219 0.0354 0.03 3.9031 -0.467 -0.42 -0.2707 -0.6481 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N11 compound treatment 4.0291 -0.0574 -0.05 4.2462 -0.123 -0.11 -0.1163 -0.947 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N12 compound treatment 3.306 -0.78 -0.74 4.4905 0.121 0.11 -0.4462 -0.5976 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N13 mock treatment 4.3262 0.24 0.23 4.1378 -0.232 -0.21 0.0141 0.046 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N14 mock treatment 3.6541 -0.432 -0.41 4.1168 -0.253 -0.23 -0.449 -0.9606 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N15 compound treatment 4.5446 0.458 0.43 4.9988 0.629 0.56 0.7036 0.9919 3130499 CMLD2_000870 CCc1cc2CN(CC/C(=N/O[C@@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N16 compound treatment 4.4446 0.358 0.34 4.8061 0.436 0.39 0.515 0.9976 3011882 CMLD2_000871 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N17 compound treatment 3.7553 -0.331 -0.31 4.885 0.515 0.46 0.1034 0.1859 3130500 CMLD2_000872 CO[C@H](/C=N/OC[C@@H](O)COCc1ccco1)[C@H](C)/C=C/CC(=O)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N18 compound treatment 4.667 0.581 0.55 5.2257 0.856 0.76 0.9286 0.987 3011884 CMLD2_000873 CC(=NOC[C@@H](O)COCc1ccco1)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N19 compound treatment 8.4876 4.4 4.17 9.0487 4.68 4.17 5.8978 1.0 3130501 CMLD2_000874 CO/N=C\1/[C@H](O)[C@H](Oc2ccc(OC)cc12)c3cccc(OC)c3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N20 compound treatment 3.9636 -0.123 -0.12 4.3405 -0.0291 -0.03 -0.1006 -0.8443 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N21 compound treatment 4.3133 0.227 0.21 4.7654 0.396 0.35 0.4015 0.9715 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N22 compound treatment 4.7074 0.621 0.59 5.6568 1.29 1.15 1.2277 0.9516 3130502 CMLD2_000877 CO[C@@H]([C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)/C=C/CC(=O)OC)C2CCCCC2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N23 mock treatment 3.7114 -0.375 -0.36 3.9716 -0.398 -0.36 -0.5022 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 N24 mock treatment 3.6333 -0.453 -0.43 3.9394 -0.43 -0.38 -0.5748 -0.9985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O01 compound treatment 3.635 -0.452 -0.43 3.3456 -1.02 -0.91 -0.9483 -0.9401 3011886 CMLD2_000878 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@@H]1C)OC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O02 compound treatment 3.6115 -0.475 -0.45 3.9236 -0.446 -0.4 -0.5993 -0.9982 3130503 CMLD2_000879 CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O03 compound treatment 4.1236 0.0371 0.04 4.9689 0.599 0.53 0.4029 0.752 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O04 compound treatment 3.1027 -0.984 -0.93 3.9105 -0.459 -0.41 -0.9482 -0.932 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O05 compound treatment 3.3226 -0.764 -0.72 3.0982 -1.27 -1.13 -1.3135 -0.9763 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O06 compound treatment 2.9554 -1.13 -1.07 3.2152 -1.15 -1.03 -1.4855 -0.9998 3011921 CMLD2_000883 C[C@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cc(no3)c4c(C)cc(C)cc4C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O07 compound treatment 3.7278 -0.359 -0.34 3.6688 -0.701 -0.63 -0.6823 -0.9588 3130507 CMLD2_000884 C[C@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cc(no3)c4c(C)cc(C)cc4C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O08 compound treatment 3.0551 -1.03 -0.98 3.5533 -0.816 -0.73 -1.2054 -0.9896 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O09 compound treatment 3.0184 -1.07 -1.01 3.5421 -0.828 -0.74 -1.2371 -0.9881 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O10 compound treatment 3.759 -0.327 -0.31 3.8032 -0.566 -0.51 -0.5766 -0.9725 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O11 mock treatment 3.3328 -0.754 -0.71 3.3281 -1.04 -0.93 -1.1616 -0.9915 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O12 mock treatment 3.1727 -0.914 -0.87 3.5403 -0.829 -0.74 -1.1349 -0.997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O13 compound treatment 3.1992 -0.887 -0.84 3.7163 -0.653 -0.58 -1.0061 -0.9841 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O14 compound treatment 3.3776 -0.709 -0.67 4.0068 -0.363 -0.32 -0.7034 -0.9441 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O15 compound treatment 3.2416 -0.845 -0.8 3.6625 -0.707 -0.63 -1.0117 -0.9931 3011927 CMLD2_000890 CCc1cc2CN(CC/C(=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O16 compound treatment 3.666 -0.42 -0.4 4.4932 0.123 0.11 -0.2035 -0.4928 3130637 CMLD2_000891 C[C@@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@@H]6COC[C@H]6O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O17 compound treatment 3.3851 -0.701 -0.66 3.6015 -0.768 -0.69 -0.9541 -0.9999 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O18 compound treatment 3.3893 -0.697 -0.66 3.8295 -0.54 -0.48 -0.8074 -0.9881 3011928 CMLD2_000893 C[C@@H](ON=C(C)C)c1cn(nn1)[C@@H]2COC[C@H]2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O19 compound treatment 3.3223 -0.764 -0.72 3.7571 -0.613 -0.55 -0.8979 -0.9904 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O20 compound treatment 3.2995 -0.787 -0.74 3.4384 -0.931 -0.83 -1.1143 -0.9985 3011929 CMLD2_000895 CCN1C(=C([C@H](N2C(=O)[C@@](O)(CC(=C12)C(=O)C)C(=O)OC)c3ccccc3)C(=O)OC)C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O21 compound treatment 3.4592 -0.627 -0.59 3.626 -0.744 -0.66 -0.8891 -0.9985 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O22 mock treatment 3.2655 -0.821 -0.78 3.6544 -0.715 -0.64 -1.0008 -0.9952 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O23 mock treatment 2.9209 -1.17 -1.1 4.0588 -0.311 -0.28 -0.9763 -0.8581 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 O24 mock treatment 3.0015 -1.08 -1.03 3.6147 -0.755 -0.67 -1.2025 -0.9791 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P01 compound treatment 3.1243 -0.962 -0.91 3.5602 -0.809 -0.72 -1.1547 -0.9934 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P02 compound treatment 3.8759 -0.211 -0.2 4.049 -0.321 -0.29 -0.3433 -0.9844 3130641 CMLD2_000898 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P03 compound treatment 4.9469 0.86 0.81 4.7846 0.415 0.37 0.8377 0.9363 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P04 compound treatment 3.2637 -0.823 -0.78 3.6168 -0.753 -0.67 -1.0258 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P05 compound treatment 3.4425 -0.644 -0.61 3.5371 -0.833 -0.74 -0.9563 -0.9952 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P06 compound treatment 3.2968 -0.79 -0.75 4.1164 -0.253 -0.23 -0.6884 -0.8815 3130644 CMLD2_000902 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P07 compound treatment 3.9644 -0.122 -0.12 4.277 -0.0927 -0.08 -0.1402 -0.9866 3011933 CMLD2_000903 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P08 compound treatment 3.762 -0.324 -0.31 4.3515 -0.0182 -0.02 -0.2286 -0.7434 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P09 compound treatment 2.9477 -1.14 -1.08 3.828 -0.542 -0.48 -1.1039 -0.9345 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P10 compound treatment 3.3477 -0.739 -0.7 3.9402 -0.429 -0.38 -0.7655 -0.9599 3130646 CMLD2_000906 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](O)COCc4ccco4)/[C@@H]2O 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P11 mock treatment 3.6977 -0.389 -0.37 3.1661 -1.2 -1.07 -1.0196 -0.8982 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P12 mock treatment 3.6704 -0.416 -0.39 3.5153 -0.854 -0.76 -0.8175 -0.9528 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P13 compound treatment 3.4058 -0.681 -0.64 3.9063 -0.463 -0.41 -0.7479 -0.977 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P14 compound treatment 3.407 -0.68 -0.64 3.8913 -0.478 -0.43 -0.7566 -0.9801 3011936 CMLD2_000908 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P15 compound treatment 3.2852 -0.801 -0.76 3.8634 -0.506 -0.45 -0.8557 -0.9693 3130648 CMLD2_000909 CCc1cc2CN(CC/C(=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)/C)CCc2nc1CC 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P16 compound treatment 3.5916 -0.495 -0.47 4.0393 -0.33 -0.29 -0.5396 -0.9751 3130649 CMLD2_000910 C[C@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@H](CO)Cc6ccccc6 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P17 compound treatment 3.4135 -0.673 -0.64 3.7538 -0.616 -0.55 -0.839 -0.9973 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P18 compound treatment 3.1498 -0.937 -0.89 3.9693 -0.4 -0.36 -0.8796 -0.9201 3130650 CMLD2_000912 C[C@H](ON=C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P19 compound treatment 2.7109 -1.38 -1.3 3.9746 -0.395 -0.35 -1.17 -0.8673 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P20 compound treatment 3.1131 -0.973 -0.92 4.1167 -0.253 -0.23 -0.8111 -0.855 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 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P21 compound treatment 3.599 -0.487 -0.46 3.7967 -0.573 -0.51 -0.6877 -0.9987 3130651 CMLD2_000915 C[C@@H]1CC[C@@H]2N(C[C@H](COC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P22 mock treatment 4.1709 0.0844 0.08 3.5404 -0.829 -0.74 -0.4667 -0.6271 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P23 mock treatment 3.3328 -0.754 -0.71 3.4654 -0.904 -0.81 -1.075 -0.9981 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.2111 P24 mock treatment 2.9065 -1.18 -1.12 3.9374 -0.432 -0.39 -1.0626 -0.8992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A01 mock treatment 2.6607 -1.15 -1.08 4.1078 -0.385 -0.34 -1.0094 -0.8877 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A02 mock treatment 3.5768 -0.229 -0.22 4.3702 -0.123 -0.11 -0.2307 -0.9498 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A03 mock treatment 3.3132 -0.493 -0.47 4.7945 0.302 0.27 -0.1394 -0.2588 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A04 mock treatment 3.4316 -0.374 -0.35 4.7587 0.266 0.24 -0.0827 -0.194 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A05 mock treatment 4.0383 0.232 0.22 4.586 0.0932 0.08 0.2144 0.9114 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A06 mock treatment 3.4173 -0.389 -0.37 5.8306 1.34 1.19 0.5839 0.4675 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A07 mock treatment 3.559 -0.247 -0.23 4.6299 0.137 0.12 -0.0787 -0.2984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A08 mock treatment 4.0562 0.25 0.24 4.8006 0.308 0.27 0.3618 0.9973 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A09 mock treatment 3.8615 0.0556 0.05 4.0797 -0.413 -0.37 -0.2234 -0.6001 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A10 mock treatment 4.2641 0.458 0.43 4.2933 -0.2 -0.18 0.1808 0.3857 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A11 mock treatment 3.0654 -0.74 -0.7 4.8273 0.334 0.3 -0.2846 -0.3736 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A12 mock treatment 4.6183 0.812 0.77 4.1856 -0.307 -0.27 0.35 0.4287 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A13 mock treatment 3.4409 -0.365 -0.35 4.6447 0.152 0.14 -0.1485 -0.4 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A14 mock treatment 3.8291 0.0232 0.02 5.0983 0.606 0.54 0.3976 0.7353 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A15 mock treatment 3.6176 -0.188 -0.18 4.7671 0.274 0.24 0.047 0.1554 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A16 mock treatment 3.1242 -0.682 -0.65 5.0853 0.592 0.53 -0.0825 -0.0989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A17 mock treatment 3.6381 -0.168 -0.16 5.2385 0.746 0.67 0.3582 0.5236 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A18 mock treatment 3.2527 -0.553 -0.52 4.2317 -0.261 -0.23 -0.5349 -0.9335 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A19 mock treatment 3.4791 -0.327 -0.31 4.3667 -0.126 -0.11 -0.2983 -0.9062 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A20 mock treatment 3.7613 -0.0445 -0.04 3.7722 -0.721 -0.64 -0.4844 -0.7519 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A21 mock treatment 3.5604 -0.245 -0.23 3.7994 -0.693 -0.62 -0.6018 -0.9106 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A22 mock treatment 3.0707 -0.735 -0.7 4.2917 -0.201 -0.18 -0.6189 -0.8612 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A23 mock treatment 3.1898 -0.616 -0.58 3.7669 -0.726 -0.65 -0.8703 -0.9986 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 A24 mock treatment 3.3976 -0.408 -0.39 3.5044 -0.988 -0.88 -0.8969 -0.9315 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B01 mock treatment 3.3972 -0.409 -0.39 4.7398 0.247 0.22 -0.1177 -0.2644 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B02 mock treatment 3.9937 0.188 0.18 4.9709 0.478 0.43 0.4274 0.9247 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B03 mock treatment 3.7529 -0.053 -0.05 4.7802 0.287 0.26 0.1458 0.5581 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B04 mock treatment 4.2328 0.427 0.4 5.3444 0.852 0.76 0.823 0.9563 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B05 mock treatment 4.331 0.525 0.5 4.8272 0.334 0.3 0.5625 0.9702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B06 mock treatment 4.3221 0.516 0.49 5.191 0.698 0.62 0.786 0.9928 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B07 mock treatment 4.3786 0.573 0.54 5.7377 1.24 1.11 1.1688 0.9456 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B08 mock treatment 4.149 0.343 0.32 4.6713 0.179 0.16 0.3423 0.9462 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B09 mock treatment 3.8495 0.0437 0.04 4.2638 -0.229 -0.2 -0.1153 -0.5529 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B10 mock treatment 3.7922 -0.0136 -0.01 4.4365 -0.0563 -0.05 -0.0446 -0.861 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B11 mock treatment 4.0586 0.253 0.24 5.3757 0.883 0.79 0.7261 0.8821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B12 mock treatment 3.024 -0.782 -0.74 4.7294 0.237 0.21 -0.374 -0.486 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B13 mock treatment 3.9828 0.177 0.17 5.0837 0.591 0.53 0.4912 0.888 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B14 mock treatment 4.0994 0.294 0.28 4.7878 0.295 0.26 0.3826 0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B15 mock treatment 3.6399 -0.166 -0.16 4.5241 0.0313 0.03 -0.0914 -0.5726 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B16 mock treatment 3.4016 -0.404 -0.38 5.3295 0.837 0.75 0.2573 0.3067 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B17 mock treatment 3.4223 -0.384 -0.36 4.3164 -0.176 -0.16 -0.368 -0.93 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B18 mock treatment 3.5732 -0.233 -0.22 4.3077 -0.185 -0.17 -0.2725 -0.9899 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B19 mock treatment 4.2633 0.457 0.43 4.1139 -0.379 -0.34 0.0672 0.1223 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B20 mock treatment 2.9495 -0.856 -0.81 4.8287 0.336 0.3 -0.3613 -0.418 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B21 mock treatment 4.5836 0.778 0.74 3.8632 -0.63 -0.56 0.1234 0.1333 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B22 mock treatment 3.157 -0.649 -0.61 4.1404 -0.352 -0.31 -0.6566 -0.9516 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B23 mock treatment 3.1555 -0.65 -0.62 4.4833 -0.0095 -0.01 -0.4413 -0.7168 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 B24 mock treatment 2.9898 -0.816 -0.77 3.1568 -1.34 -1.19 -1.3891 -0.978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C01 mock treatment 3.4846 -0.321 -0.3 5.0226 0.53 0.47 0.1192 0.2121 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C02 mock treatment 3.2951 -0.511 -0.48 4.3275 -0.165 -0.15 -0.4461 -0.8826 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C03 mock treatment 3.7619 -0.044 -0.04 4.6238 0.131 0.12 0.0532 0.4286 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C04 mock treatment 3.4811 -0.325 -0.31 4.7005 0.208 0.19 -0.0863 -0.2405 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C05 mock treatment 2.9443 -0.862 -0.82 4.7673 0.275 0.24 -0.4035 -0.4738 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C06 mock treatment 3.0016 -0.804 -0.76 5.2484 0.756 0.67 -0.0616 -0.0606 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C07 mock treatment 4.0041 0.198 0.19 3.9132 -0.58 -0.52 -0.2329 -0.4235 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C08 mock treatment 4.3052 0.499 0.47 4.8318 0.339 0.3 0.5481 0.9767 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C09 mock treatment 2.9657 -0.84 -0.8 4.5481 0.0553 0.05 -0.5275 -0.662 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C10 mock treatment 3.228 -0.578 -0.55 4.6847 0.192 0.17 -0.2657 -0.4636 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C11 mock treatment 3.3379 -0.468 -0.44 4.1041 -0.389 -0.35 -0.5584 -0.9927 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C12 mock treatment 4.3102 0.504 0.48 4.8558 0.363 0.32 0.5666 0.9821 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C13 mock treatment 4.0611 0.255 0.24 4.8271 0.334 0.3 0.3818 0.9945 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C14 mock treatment 2.9727 -0.833 -0.79 4.8612 0.368 0.33 -0.3252 -0.3806 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C15 mock treatment 3.5285 -0.277 -0.26 4.4094 -0.0833 -0.07 -0.2382 -0.873 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C16 mock treatment 3.4406 -0.365 -0.35 4.114 -0.379 -0.34 -0.4834 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C17 mock treatment 3.8954 0.0895 0.08 3.5985 -0.894 -0.8 -0.5043 -0.6285 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C18 mock treatment 3.8385 0.0326 0.03 4.8117 0.319 0.28 0.223 0.7793 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C19 mock treatment 3.3023 -0.504 -0.48 4.0422 -0.451 -0.4 -0.6213 -0.9964 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C20 mock treatment 3.511 -0.295 -0.28 3.9497 -0.543 -0.48 -0.54 -0.9657 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C21 mock treatment 2.9381 -0.868 -0.82 4.9577 0.465 0.41 -0.2875 -0.3125 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C22 mock treatment 3.4963 -0.31 -0.29 3.8399 -0.653 -0.58 -0.6191 -0.9494 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C23 mock treatment 3.2931 -0.513 -0.49 4.1342 -0.359 -0.32 -0.5695 -0.9795 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 C24 mock treatment 3.1631 -0.643 -0.61 3.4279 -1.06 -0.95 -1.1021 -0.9768 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D01 mock treatment 4.2403 0.434 0.41 4.5898 0.097 0.09 0.352 0.8375 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D02 mock treatment 3.5933 -0.213 -0.2 5.6624 1.17 1.04 0.5956 0.5604 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D03 mock treatment 3.8365 0.0306 0.03 5.4977 1.0 0.9 0.6545 0.7296 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D04 mock treatment 3.8608 0.055 0.05 4.9344 0.442 0.39 0.3154 0.7936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D05 mock treatment 3.8943 0.0885 0.08 5.0077 0.515 0.46 0.3841 0.8224 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D06 mock treatment 4.234 0.428 0.41 4.343 -0.15 -0.13 0.1921 0.4501 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D07 mock treatment 3.5927 -0.213 -0.2 4.8756 0.383 0.34 0.0988 0.2491 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D08 mock treatment 3.9118 0.106 0.1 5.3928 0.9 0.8 0.6387 0.7893 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D09 mock treatment 3.9167 0.111 0.1 4.3726 -0.12 -0.11 -0.0016 -0.0106 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D10 mock treatment 3.8441 0.0383 0.04 4.5009 0.00815 0.01 0.0307 0.8325 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D11 mock treatment 3.3388 -0.467 -0.44 4.74 0.247 0.22 -0.1566 -0.3171 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D12 mock treatment 4.3998 0.594 0.56 4.5804 0.0876 0.08 0.4528 0.7977 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D13 mock treatment 3.5837 -0.222 -0.21 4.5148 0.022 0.02 -0.1348 -0.6382 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D14 mock treatment 3.2322 -0.574 -0.54 4.0346 -0.458 -0.41 -0.673 -0.9902 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D15 mock treatment 4.1773 0.371 0.35 4.6578 0.165 0.15 0.3528 0.9254 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D16 mock treatment 3.129 -0.677 -0.64 4.9395 0.447 0.4 -0.1713 -0.2269 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D17 mock treatment 3.1989 -0.607 -0.57 4.072 -0.421 -0.38 -0.6717 -0.9787 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D18 mock treatment 2.9555 -0.85 -0.8 3.9189 -0.574 -0.51 -0.9313 -0.9762 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D19 mock treatment 3.5149 -0.291 -0.28 4.4116 -0.0812 -0.07 -0.246 -0.8637 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D20 mock treatment 2.863 -0.943 -0.89 3.9695 -0.523 -0.47 -0.9612 -0.9543 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D21 mock treatment 3.3638 -0.442 -0.42 4.5415 0.0488 0.04 -0.2651 -0.6302 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D22 mock treatment 3.2414 -0.564 -0.53 3.9047 -0.588 -0.52 -0.7488 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D23 mock treatment 3.5328 -0.273 -0.26 3.737 -0.756 -0.67 -0.6596 -0.9133 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 D24 mock treatment 2.7673 -1.04 -0.98 3.8189 -0.674 -0.6 -1.1203 -0.9722 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E01 mock treatment 2.8411 -0.965 -0.91 4.2847 -0.208 -0.19 -0.7771 -0.8338 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E02 mock treatment 3.4048 -0.401 -0.38 4.3733 -0.119 -0.11 -0.3438 -0.8719 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E03 mock treatment 3.2737 -0.532 -0.5 4.2471 -0.246 -0.22 -0.5112 -0.9306 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E04 mock treatment 3.2919 -0.514 -0.49 4.0371 -0.456 -0.41 -0.6315 -0.996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E05 mock treatment 3.4879 -0.318 -0.3 4.0831 -0.41 -0.37 -0.4713 -0.9953 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E06 mock treatment 3.4702 -0.336 -0.32 4.2548 -0.238 -0.21 -0.3749 -0.9808 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E07 mock treatment 3.1512 -0.655 -0.62 4.0674 -0.425 -0.38 -0.7066 -0.9723 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E08 mock treatment 3.6002 -0.206 -0.19 4.1832 -0.31 -0.28 -0.333 -0.9854 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E09 mock treatment 3.5738 -0.232 -0.22 4.0297 -0.463 -0.41 -0.4475 -0.9563 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E10 mock treatment 3.3255 -0.48 -0.45 4.4525 -0.0403 -0.04 -0.3469 -0.7606 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E11 mock treatment 3.4972 -0.309 -0.29 3.8169 -0.676 -0.6 -0.6331 -0.9447 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E12 mock treatment 3.5896 -0.216 -0.2 3.8963 -0.596 -0.53 -0.521 -0.9138 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E13 mock treatment 4.2382 0.432 0.41 4.4028 -0.09 -0.08 0.2326 0.5577 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E14 mock treatment 3.7895 -0.0164 -0.02 3.715 -0.778 -0.69 -0.5016 -0.7227 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E15 mock treatment 3.2409 -0.565 -0.53 4.4554 -0.0374 -0.03 -0.4018 -0.7497 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E16 mock treatment 3.55 -0.256 -0.24 3.468 -1.02 -0.91 -0.8178 -0.8646 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E17 mock treatment 3.5691 -0.237 -0.22 4.0997 -0.393 -0.35 -0.4065 -0.9766 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E18 mock treatment 3.3772 -0.429 -0.41 3.8567 -0.636 -0.57 -0.6883 -0.9865 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E19 mock treatment 3.3039 -0.502 -0.48 3.6136 -0.879 -0.78 -0.8906 -0.9711 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E20 mock treatment 3.7382 -0.0677 -0.06 3.6509 -0.842 -0.75 -0.5764 -0.7647 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E21 mock treatment 4.046 0.24 0.23 4.0462 -0.447 -0.4 -0.121 -0.2638 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E22 mock treatment 3.6715 -0.134 -0.13 4.474 -0.0188 -0.02 -0.1018 -0.7933 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E23 mock treatment 3.4473 -0.359 -0.34 4.0062 -0.487 -0.43 -0.547 -0.9926 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 E24 mock treatment 3.0391 -0.767 -0.73 4.0963 -0.396 -0.35 -0.7634 -0.9454 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F01 mock treatment 3.2864 -0.519 -0.49 4.3165 -0.176 -0.16 -0.459 -0.8889 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F02 mock treatment 3.5088 -0.297 -0.28 5.0692 0.576 0.51 0.1648 0.2812 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F03 mock treatment 4.8411 1.04 0.98 5.3377 0.845 0.75 1.226 0.9916 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F04 mock treatment 3.8272 0.0213 0.02 5.87 1.38 1.23 0.8831 0.7186 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F05 mock treatment 4.4464 0.641 0.61 5.0714 0.579 0.52 0.7938 0.9968 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F06 mock treatment 3.6223 -0.184 -0.17 5.1032 0.61 0.54 0.2622 0.4587 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F07 mock treatment 3.6151 -0.191 -0.18 4.9417 0.449 0.4 0.1556 0.354 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F08 mock treatment 4.285 0.479 0.45 4.7495 0.257 0.23 0.4826 0.95 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F09 mock treatment 3.7449 -0.061 -0.06 4.2552 -0.238 -0.21 -0.1907 -0.8681 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F10 mock treatment 3.6331 -0.173 -0.16 4.5897 0.0969 0.09 -0.0545 -0.2946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F11 mock treatment 3.5856 -0.22 -0.21 4.241 -0.252 -0.22 -0.3063 -0.9993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F12 mock treatment 4.0534 0.248 0.23 4.6942 0.201 0.18 0.2928 0.9914 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F13 mock treatment 3.4371 -0.369 -0.35 4.6538 0.161 0.14 -0.1453 -0.3849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F14 mock treatment 3.7948 -0.0111 -0.01 4.4173 -0.0755 -0.07 -0.0551 -0.8078 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F15 mock treatment 3.9238 0.118 0.11 4.1195 -0.373 -0.33 -0.1566 -0.4458 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F16 mock treatment 3.1724 -0.634 -0.6 4.763 0.27 0.24 -0.2535 -0.3923 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F17 mock treatment 3.5293 -0.277 -0.26 4.7133 0.221 0.2 -0.046 -0.1404 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F18 mock treatment 3.6967 -0.109 -0.1 4.2604 -0.232 -0.21 -0.2197 -0.9482 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F19 mock treatment 3.7656 -0.0403 -0.04 4.8128 0.32 0.29 0.1749 0.6072 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F20 mock treatment 3.9101 0.104 0.1 4.5568 0.064 0.06 0.1101 0.9662 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F21 mock treatment 3.686 -0.12 -0.11 4.1839 -0.309 -0.28 -0.2752 -0.9231 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F22 mock treatment 3.2208 -0.585 -0.55 4.715 0.222 0.2 -0.2514 -0.4274 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F23 mock treatment 3.4368 -0.369 -0.35 4.4868 -0.00598 -0.01 -0.2508 -0.7178 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 F24 mock treatment 3.1267 -0.679 -0.64 3.759 -0.734 -0.65 -0.9176 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G01 mock treatment 3.8702 0.0643 0.06 5.0722 0.579 0.52 0.4086 0.7849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G02 mock treatment 5.5328 1.73 1.63 5.1815 0.689 0.61 1.5904 0.9107 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G03 mock treatment 3.9946 0.189 0.18 5.0161 0.523 0.47 0.4565 0.9131 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G04 mock treatment 3.8124 0.00657 0.01 4.6193 0.127 0.11 0.0842 0.7449 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G05 mock treatment 4.0144 0.208 0.2 5.2857 0.793 0.71 0.6398 0.8711 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G06 mock treatment 3.9829 0.177 0.17 4.6044 0.112 0.1 0.1889 0.9691 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G07 mock treatment 5.0 1.19 1.13 4.769 0.276 0.25 0.9735 0.8415 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G08 mock treatment 3.9433 0.137 0.13 4.9904 0.498 0.44 0.4059 0.8774 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G09 mock treatment 3.7116 -0.0942 -0.09 4.3659 -0.127 -0.11 -0.1431 -0.993 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G10 mock treatment 3.999 0.193 0.18 4.7344 0.242 0.22 0.2817 0.9966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G11 mock treatment 3.8664 0.0605 0.06 4.8173 0.325 0.29 0.2452 0.8309 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G12 mock treatment 3.9202 0.114 0.11 4.4489 -0.0439 -0.04 0.0489 0.4244 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G13 mock treatment 3.5972 -0.209 -0.2 5.0988 0.606 0.54 0.2427 0.4216 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G14 mock treatment 3.9929 0.187 0.18 4.8958 0.403 0.36 0.3794 0.9467 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G15 mock treatment 4.2951 0.489 0.46 4.7098 0.217 0.19 0.4644 0.9251 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G16 mock treatment 3.5916 -0.214 -0.2 4.417 -0.0757 -0.07 -0.1912 -0.8944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G17 mock treatment 3.7746 -0.0313 -0.03 3.8884 -0.604 -0.54 -0.4022 -0.7448 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G18 mock treatment 3.9391 0.133 0.13 4.3063 -0.186 -0.17 -0.0284 -0.1362 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G19 mock treatment 4.0534 0.248 0.23 4.7022 0.209 0.19 0.2978 0.9937 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G20 mock treatment 3.7601 -0.0458 -0.04 4.412 -0.0808 -0.07 -0.0816 -0.9703 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G21 mock treatment 4.3511 0.545 0.52 4.4184 -0.0744 -0.07 0.318 0.6111 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G22 mock treatment 4.8934 1.09 1.03 4.8711 0.378 0.34 0.9666 0.8922 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G23 mock treatment 3.8102 0.00429 0.0 3.9699 -0.523 -0.47 -0.327 -0.7009 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 G24 mock treatment 3.8017 -0.00418 0.0 4.2564 -0.236 -0.21 -0.1519 -0.7203 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H01 mock treatment 4.2508 0.445 0.42 5.6981 1.21 1.08 1.0582 0.9163 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H02 mock treatment 5.083 1.28 1.21 5.692 1.2 1.07 1.6114 0.9981 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H03 mock treatment 4.4995 0.694 0.66 4.8629 0.37 0.33 0.6977 0.9494 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H04 mock treatment 5.0173 1.21 1.15 4.9475 0.455 0.41 1.0977 0.9024 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H05 mock treatment 4.6953 0.889 0.84 5.2739 0.781 0.7 1.0881 0.9956 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H06 mock treatment 4.5893 0.783 0.74 5.2338 0.741 0.66 0.9918 0.9984 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H07 mock treatment 4.3939 0.588 0.56 5.2767 0.784 0.7 0.8881 0.9936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H08 mock treatment 4.4516 0.646 0.61 4.2004 -0.292 -0.26 0.2477 0.3727 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H09 mock treatment 5.4157 1.61 1.52 4.3376 -0.155 -0.14 0.9796 0.6402 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H10 mock treatment 4.8263 1.02 0.97 4.6778 0.185 0.17 0.7998 0.8161 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H11 mock treatment 4.2013 0.395 0.37 5.0321 0.539 0.48 0.6049 0.9923 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H12 mock treatment 4.5802 0.774 0.73 4.5195 0.0267 0.02 0.5351 0.7297 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H13 mock treatment 5.0668 1.26 1.19 4.6642 0.171 0.15 0.9522 0.7912 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H14 mock treatment 4.427 0.621 0.59 4.8276 0.335 0.3 0.627 0.9507 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H15 mock treatment 4.6822 0.876 0.83 4.454 -0.0388 -0.03 0.5621 0.677 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H16 mock treatment 4.2072 0.401 0.38 5.074 0.581 0.52 0.6353 0.9883 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H17 mock treatment 4.3118 0.506 0.48 4.3898 -0.103 -0.09 0.2736 0.5611 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H18 mock treatment 4.2624 0.457 0.43 4.6884 0.196 0.17 0.429 0.9204 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H19 mock treatment 3.5841 -0.222 -0.21 4.6495 0.157 0.14 -0.0496 -0.1965 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H20 mock treatment 4.4609 0.655 0.62 4.0128 -0.48 -0.43 0.1356 0.1799 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H21 mock treatment 3.5227 -0.283 -0.27 4.4623 -0.0305 -0.03 -0.2088 -0.7749 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H22 mock treatment 4.1327 0.327 0.31 4.4482 -0.0446 -0.04 0.1907 0.6112 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H23 mock treatment 3.7159 -0.09 -0.09 4.0578 -0.435 -0.39 -0.3346 -0.8422 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 H24 mock treatment 3.7608 -0.045 -0.04 4.0215 -0.471 -0.42 -0.3274 -0.7748 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I01 mock treatment 4.2642 0.458 0.43 5.2041 0.711 0.63 0.7555 0.9828 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I02 mock treatment 4.2638 0.458 0.43 4.7222 0.229 0.2 0.4513 0.9413 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I03 mock treatment 4.2511 0.445 0.42 4.6259 0.133 0.12 0.382 0.8724 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I04 mock treatment 4.112 0.306 0.29 5.3916 0.899 0.8 0.7719 0.9053 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I05 mock treatment 3.5116 -0.294 -0.28 4.5212 0.0284 0.03 -0.1791 -0.6401 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I06 mock treatment 4.0974 0.291 0.28 4.9949 0.502 0.45 0.5119 0.9729 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I07 mock treatment 4.0548 0.249 0.24 4.5471 0.0543 0.05 0.2009 0.8351 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I08 mock treatment 4.2997 0.494 0.47 4.8199 0.327 0.29 0.5369 0.9743 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I09 mock treatment 3.926 0.12 0.11 4.4164 -0.0764 -0.07 0.0322 0.2428 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I10 mock treatment 4.0045 0.199 0.19 4.8104 0.318 0.28 0.3333 0.9801 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I11 mock treatment 4.5117 0.706 0.67 4.3561 -0.137 -0.12 0.3863 0.5687 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I12 mock treatment 3.9443 0.138 0.13 4.3736 -0.119 -0.11 0.0175 0.1035 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I13 mock treatment 3.4833 -0.323 -0.31 4.2367 -0.256 -0.23 -0.3775 -0.9898 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I14 mock treatment 4.6119 0.806 0.76 5.1628 0.67 0.6 0.9622 0.9927 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I15 mock treatment 3.9691 0.163 0.15 5.2343 0.742 0.66 0.5771 0.8494 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I16 mock treatment 4.1408 0.335 0.32 4.5805 0.0877 0.08 0.2795 0.8559 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I17 mock treatment 3.7354 -0.0705 -0.07 4.8987 0.406 0.36 0.2089 0.5672 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I18 mock treatment 3.8798 0.0739 0.07 4.9014 0.409 0.36 0.3073 0.8277 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I19 mock treatment 4.0335 0.228 0.22 4.5589 0.0661 0.06 0.1941 0.8687 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I20 mock treatment 4.3946 0.589 0.56 5.3421 0.849 0.76 0.9299 0.9886 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I21 mock treatment 4.0897 0.284 0.27 5.0562 0.563 0.5 0.5454 0.9569 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I22 mock treatment 3.5656 -0.24 -0.23 4.3408 -0.152 -0.14 -0.2567 -0.9694 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I23 mock treatment 4.2529 0.447 0.42 4.5561 0.0633 0.06 0.3391 0.7944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 I24 mock treatment 4.1708 0.365 0.35 4.3917 -0.101 -0.09 0.1805 0.5056 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J01 mock treatment 4.088 0.282 0.27 5.3305 0.838 0.75 0.7174 0.9038 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J02 mock treatment 4.3427 0.537 0.51 5.241 0.748 0.67 0.8313 0.9909 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J03 mock treatment 4.3665 0.561 0.53 5.2492 0.756 0.67 0.8524 0.9929 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J04 mock treatment 4.5634 0.757 0.72 5.0522 0.559 0.5 0.8599 0.9843 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J05 mock treatment 4.4444 0.639 0.6 5.3822 0.889 0.79 0.9885 0.991 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J06 mock treatment 4.3053 0.499 0.47 4.1901 -0.303 -0.27 0.1433 0.2633 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J07 mock treatment 4.0173 0.211 0.2 5.2993 0.807 0.72 0.6503 0.8707 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J08 mock treatment 3.6545 -0.151 -0.14 4.9502 0.457 0.41 0.1872 0.4329 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J09 mock treatment 4.1885 0.383 0.36 5.2968 0.804 0.72 0.7634 0.9499 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J10 mock treatment 4.287 0.481 0.46 4.5878 0.095 0.08 0.382 0.8246 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J11 mock treatment 4.3816 0.576 0.55 4.4346 -0.0582 -0.05 0.3487 0.6369 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J12 mock treatment 4.7348 0.929 0.88 4.9372 0.444 0.4 0.9021 0.9353 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J13 mock treatment 4.4951 0.689 0.65 5.1429 0.65 0.58 0.8714 0.9983 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J14 mock treatment 3.9512 0.145 0.14 4.7668 0.274 0.24 0.2702 0.963 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J15 mock treatment 4.72 0.914 0.87 5.0752 0.582 0.52 0.9793 0.9702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J16 mock treatment 4.0516 0.246 0.23 4.8132 0.32 0.29 0.3666 0.9948 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J17 mock treatment 4.7736 0.968 0.92 4.0789 -0.414 -0.37 0.3866 0.3914 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J18 mock treatment 4.0578 0.252 0.24 4.5807 0.0879 0.08 0.224 0.8926 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J19 mock treatment 4.1188 0.313 0.3 5.1546 0.662 0.59 0.627 0.9491 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J20 mock treatment 4.1403 0.334 0.32 5.8208 1.33 1.18 1.0616 0.8657 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J21 mock treatment 4.3698 0.564 0.53 4.8187 0.326 0.29 0.5831 0.9592 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J22 mock treatment 4.5067 0.701 0.66 4.4559 -0.0369 -0.03 0.4458 0.6712 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J23 mock treatment 3.5244 -0.281 -0.27 4.3352 -0.158 -0.14 -0.2878 -0.9554 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 J24 mock treatment 3.5357 -0.27 -0.26 4.7703 0.277 0.25 -0.0057 -0.0161 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K01 mock treatment 3.4306 -0.375 -0.36 4.1843 -0.308 -0.28 -0.4458 -0.992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K02 mock treatment 3.5183 -0.288 -0.27 4.8114 0.319 0.28 0.0085 0.0216 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K03 mock treatment 3.5967 -0.209 -0.2 5.518 1.03 0.91 0.5067 0.5415 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K04 mock treatment 3.4719 -0.334 -0.32 5.4182 0.925 0.83 0.3603 0.4075 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K05 mock treatment 3.8268 0.0209 0.02 5.6992 1.21 1.08 0.7751 0.72 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K06 mock treatment 3.8712 0.0653 0.06 6.0542 1.56 1.39 1.0288 0.7378 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K07 mock treatment 4.1993 0.393 0.37 4.8472 0.354 0.32 0.487 0.9967 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K08 mock treatment 3.3905 -0.415 -0.39 5.1432 0.65 0.58 0.1323 0.1888 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K09 mock treatment 4.0 0.194 0.18 4.4013 -0.0915 -0.08 0.0722 0.359 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K10 mock treatment 4.3141 0.508 0.48 4.7231 0.23 0.21 0.4854 0.928 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K11 mock treatment 4.2345 0.429 0.41 4.6747 0.182 0.16 0.4016 0.9191 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K12 mock treatment 4.3894 0.584 0.55 4.783 0.29 0.26 0.5737 0.9404 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K13 mock treatment 3.7455 -0.0604 -0.06 4.8768 0.384 0.34 0.2018 0.5811 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K14 mock treatment 4.4322 0.626 0.59 4.61 0.117 0.1 0.4932 0.8191 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K15 mock treatment 3.4314 -0.374 -0.35 5.1415 0.649 0.58 0.1587 0.2338 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K16 mock treatment 4.2836 0.478 0.45 4.5707 0.0779 0.07 0.3689 0.8064 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K17 mock treatment 4.1139 0.308 0.29 4.8037 0.311 0.28 0.4023 0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K18 mock treatment 4.2542 0.448 0.42 4.386 -0.107 -0.1 0.2327 0.535 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K19 mock treatment 3.7416 -0.0642 -0.06 4.3266 -0.166 -0.15 -0.1479 -0.9225 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K20 mock treatment 3.6676 -0.138 -0.13 4.6459 0.153 0.14 0.004 0.0213 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K21 mock treatment 4.3479 0.542 0.51 5.6017 1.11 0.99 1.0624 0.9532 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K22 mock treatment 3.8962 0.0903 0.09 3.758 -0.735 -0.66 -0.4032 -0.6098 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K23 mock treatment 3.8555 0.0496 0.05 4.5077 0.015 0.01 0.0426 0.8735 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 K24 mock treatment 3.5374 -0.268 -0.25 4.4481 -0.0447 -0.04 -0.2079 -0.8081 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L01 mock treatment 4.211 0.405 0.38 5.1762 0.683 0.61 0.7023 0.975 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L02 mock treatment 3.8984 0.0925 0.09 5.2761 0.783 0.7 0.5561 0.7896 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L03 mock treatment 3.6481 -0.158 -0.15 4.8691 0.376 0.34 0.1318 0.3588 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L04 mock treatment 4.1914 0.386 0.36 4.978 0.485 0.43 0.5642 0.9964 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L05 mock treatment 4.8503 1.04 0.99 4.8613 0.369 0.33 0.9316 0.8941 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L06 mock treatment 4.3233 0.517 0.49 5.4466 0.954 0.85 0.9481 0.9656 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L07 mock treatment 5.1942 1.39 1.31 5.0874 0.595 0.53 1.3044 0.9204 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L08 mock treatment 4.2907 0.485 0.46 5.1306 0.638 0.57 0.7269 0.9943 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L09 mock treatment 5.2469 1.44 1.36 5.6716 1.18 1.05 1.7082 0.9917 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L10 mock treatment 4.3808 0.575 0.54 5.0504 0.558 0.5 0.7367 0.999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L11 mock treatment 4.9504 1.14 1.08 4.8284 0.336 0.3 0.9778 0.8699 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L12 mock treatment 4.066 0.26 0.25 5.1761 0.683 0.61 0.6052 0.9205 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L13 mock treatment 4.7172 0.911 0.86 5.2939 0.801 0.71 1.1154 0.9956 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L14 mock treatment 3.5078 -0.298 -0.28 4.8926 0.4 0.36 0.0527 0.1159 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L15 mock treatment 5.8815 2.08 1.96 4.6887 0.196 0.17 1.5129 0.767 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L16 mock treatment 4.128 0.322 0.3 4.8141 0.321 0.29 0.4184 0.9995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L17 mock treatment 4.7519 0.946 0.9 4.795 0.302 0.27 0.8239 0.881 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L18 mock treatment 3.7648 -0.0411 -0.04 4.3668 -0.126 -0.11 -0.107 -0.8996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L19 mock treatment 3.7462 -0.0596 -0.06 3.9799 -0.513 -0.46 -0.3635 -0.7884 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L20 mock treatment 3.8739 0.068 0.06 4.2015 -0.291 -0.26 -0.1383 -0.5164 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L21 mock treatment 3.5097 -0.296 -0.28 4.098 -0.395 -0.35 -0.4473 -0.9936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L22 mock treatment 3.8789 0.073 0.07 5.1312 0.638 0.57 0.4517 0.7872 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L23 mock treatment 3.6362 -0.17 -0.16 4.6315 0.139 0.12 -0.0261 -0.1286 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 L24 mock treatment 3.3733 -0.433 -0.41 4.4817 -0.0111 -0.01 -0.2966 -0.724 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M01 mock treatment 3.1719 -0.634 -0.6 3.793 -0.7 -0.62 -0.8658 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M02 mock treatment 3.6397 -0.166 -0.16 4.206 -0.287 -0.26 -0.2921 -0.9727 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M03 mock treatment 3.7419 -0.0639 -0.06 4.3372 -0.156 -0.14 -0.141 -0.9308 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M04 mock treatment 3.586 -0.22 -0.21 4.732 0.239 0.21 0.0038 0.0126 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M05 mock treatment 3.2023 -0.604 -0.57 3.8392 -0.654 -0.58 -0.8163 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M06 mock treatment 3.3429 -0.463 -0.44 4.3339 -0.159 -0.14 -0.4101 -0.8904 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M07 mock treatment 3.475 -0.331 -0.31 4.1944 -0.298 -0.27 -0.4097 -0.9967 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M08 mock treatment 3.9507 0.145 0.14 4.249 -0.244 -0.22 -0.0568 -0.2211 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M09 mock treatment 4.7588 0.953 0.9 4.279 -0.214 -0.19 0.503 0.5456 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M10 mock treatment 4.4533 0.647 0.61 3.7552 -0.738 -0.66 -0.032 -0.0356 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M11 mock treatment 4.1768 0.371 0.35 4.4544 -0.0384 -0.03 0.2241 0.635 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M12 mock treatment 4.1931 0.387 0.37 4.1955 -0.297 -0.27 0.0716 0.1583 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M13 mock treatment 4.4303 0.624 0.59 4.1038 -0.389 -0.35 0.1725 0.2517 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M14 mock treatment 4.4263 0.62 0.59 4.7163 0.224 0.2 0.5563 0.8969 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M15 mock treatment 4.7877 0.982 0.93 5.207 0.714 0.64 1.1078 0.9831 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M16 mock treatment 3.6739 -0.132 -0.12 3.8397 -0.653 -0.58 -0.5004 -0.8396 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M17 mock treatment 4.5006 0.695 0.66 4.4807 -0.0121 -0.01 0.4574 0.6954 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M18 mock treatment 4.5227 0.717 0.68 4.2745 -0.218 -0.19 0.3421 0.4846 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M19 mock treatment 5.3323 1.53 1.44 4.2851 -0.208 -0.19 0.8907 0.6114 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M20 mock treatment 4.5906 0.785 0.74 4.4449 -0.0479 -0.04 0.4951 0.6653 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M21 mock treatment 4.1265 0.321 0.3 4.3399 -0.153 -0.14 0.1182 0.3552 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M22 mock treatment 4.1277 0.322 0.3 4.7303 0.237 0.21 0.3653 0.9842 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M23 mock treatment 3.9162 0.11 0.1 4.3475 -0.145 -0.13 -0.0178 -0.1071 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 M24 mock treatment 3.5918 -0.214 -0.2 4.4707 -0.0221 -0.02 -0.1572 -0.7723 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N01 mock treatment 3.72 -0.0859 -0.08 4.0579 -0.435 -0.39 -0.3318 -0.8371 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N02 mock treatment 3.6464 -0.159 -0.15 5.3175 0.825 0.74 0.4135 0.5506 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N03 mock treatment 4.2175 0.412 0.39 4.3497 -0.143 -0.13 0.1853 0.4519 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N04 mock treatment 3.5619 -0.244 -0.23 4.3929 -0.0999 -0.09 -0.2263 -0.9142 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N05 mock treatment 3.5714 -0.234 -0.22 4.3319 -0.161 -0.14 -0.2585 -0.9778 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N06 mock treatment 4.6224 0.816 0.77 5.1425 0.65 0.58 0.9564 0.9899 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N07 mock treatment 4.3753 0.569 0.54 4.7777 0.285 0.25 0.5609 0.9412 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N08 mock treatment 3.818 0.0121 0.01 3.7598 -0.733 -0.65 -0.4543 -0.6946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N09 mock treatment 4.9934 1.19 1.12 4.4464 -0.0464 -0.04 0.7656 0.6806 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N10 mock treatment 4.0475 0.242 0.23 4.2732 -0.22 -0.2 0.0232 0.0769 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N11 mock treatment 5.2116 1.41 1.33 4.4118 -0.081 -0.07 0.8898 0.6677 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N12 mock treatment 4.3485 0.543 0.51 5.2027 0.71 0.63 0.8111 0.9946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N13 mock treatment 3.9644 0.159 0.15 4.3238 -0.169 -0.15 -5.0E-4 -0.0024 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N14 mock treatment 4.3161 0.51 0.48 4.2724 -0.22 -0.2 0.2025 0.3883 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N15 mock treatment 5.2034 1.4 1.32 3.8838 -0.609 -0.54 0.5512 0.3854 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N16 mock treatment 4.3786 0.573 0.54 4.8761 0.383 0.34 0.6251 0.9753 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N17 mock treatment 4.4576 0.652 0.62 4.0475 -0.445 -0.4 0.1553 0.2117 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N18 mock treatment 3.8149 0.00901 0.01 4.998 0.505 0.45 0.3248 0.7204 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N19 mock treatment 5.1529 1.35 1.28 5.5755 1.08 0.97 1.5847 0.9906 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N20 mock treatment 3.8158 0.00994 0.01 4.8519 0.359 0.32 0.2332 0.7276 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N21 mock treatment 4.1402 0.334 0.32 5.1906 0.698 0.62 0.664 0.9508 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N22 mock treatment 4.7005 0.895 0.85 4.3445 -0.148 -0.13 0.5053 0.5895 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N23 mock treatment 3.5367 -0.269 -0.25 4.8022 0.309 0.28 0.015 0.0401 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 N24 mock treatment 3.8995 0.0937 0.09 4.0801 -0.413 -0.37 -0.1976 -0.5219 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O01 mock treatment 2.5647 -1.24 -1.17 3.7724 -0.72 -0.64 -1.2853 -0.9597 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O02 mock treatment 2.9762 -0.83 -0.79 3.5592 -0.934 -0.83 -1.1443 -0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O03 mock treatment 3.0327 -0.773 -0.73 3.2998 -1.19 -1.06 -1.2702 -0.9833 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O04 mock treatment 2.9879 -0.818 -0.77 3.7286 -0.764 -0.68 -1.0296 -0.998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O05 mock treatment 2.9689 -0.837 -0.79 3.53 -0.963 -0.86 -1.1676 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O06 mock treatment 3.0235 -0.782 -0.74 3.792 -0.701 -0.63 -0.9658 -0.9965 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O07 mock treatment 3.2476 -0.558 -0.53 3.3237 -1.17 -1.04 -1.1112 -0.9503 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O08 mock treatment 3.7646 -0.0412 -0.04 3.4434 -1.05 -0.94 -0.6897 -0.7359 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O09 mock treatment 3.1865 -0.619 -0.59 4.0565 -0.436 -0.39 -0.6898 -0.9802 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O10 mock treatment 3.0893 -0.717 -0.68 3.6951 -0.798 -0.71 -0.9829 -0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O11 mock treatment 3.05 -0.756 -0.72 4.0608 -0.432 -0.39 -0.7785 -0.9579 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O12 mock treatment 3.3135 -0.492 -0.47 3.2137 -1.28 -1.14 -1.1365 -0.922 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O13 mock treatment 3.0737 -0.732 -0.69 3.8987 -0.594 -0.53 -0.8649 -0.9912 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O14 mock treatment 3.1087 -0.697 -0.66 3.8957 -0.597 -0.53 -0.8433 -0.9944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O15 mock treatment 3.1076 -0.698 -0.66 3.9133 -0.579 -0.52 -0.8329 -0.9926 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O16 mock treatment 3.1604 -0.646 -0.61 3.4003 -1.09 -0.97 -1.1213 -0.9747 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O17 mock treatment 3.0966 -0.709 -0.67 3.4938 -0.999 -0.89 -1.1049 -0.9902 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O18 mock treatment 3.7568 -0.0491 -0.05 3.1281 -1.36 -1.22 -0.8938 -0.7335 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O19 mock treatment 3.038 -0.768 -0.73 2.8946 -1.6 -1.43 -1.5222 -0.9511 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O20 mock treatment 3.6664 -0.14 -0.13 3.2759 -1.22 -1.09 -0.8611 -0.7873 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O21 mock treatment 3.27 -0.536 -0.51 3.5207 -0.972 -0.87 -0.9719 -0.9674 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O22 mock treatment 3.6148 -0.191 -0.18 3.3208 -1.17 -1.05 -0.8673 -0.8173 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O23 mock treatment 2.5636 -1.24 -1.18 3.7933 -0.699 -0.62 -1.2728 -0.9561 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 O24 mock treatment 2.7715 -1.03 -0.98 2.8822 -1.61 -1.44 -1.7084 -0.9825 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P01 mock treatment 3.3222 -0.484 -0.46 4.1413 -0.352 -0.31 -0.5455 -0.983 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P02 mock treatment 3.0288 -0.777 -0.74 3.6067 -0.886 -0.79 -1.0791 -0.9994 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P03 mock treatment 3.5132 -0.293 -0.28 4.3584 -0.134 -0.12 -0.2806 -0.9298 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P04 mock treatment 2.9837 -0.822 -0.78 3.7807 -0.712 -0.64 -0.9996 -0.9949 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P05 mock treatment 3.207 -0.599 -0.57 3.9543 -0.539 -0.48 -0.7406 -0.9966 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P06 mock treatment 3.1557 -0.65 -0.62 3.9648 -0.528 -0.47 -0.7683 -0.9913 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P07 mock treatment 3.3682 -0.438 -0.41 3.483 -1.01 -0.9 -0.93 -0.9378 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P08 mock treatment 3.281 -0.525 -0.5 3.2487 -1.24 -1.11 -1.1362 -0.9343 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P09 mock treatment 2.8754 -0.93 -0.88 3.9441 -0.549 -0.49 -0.9689 -0.9616 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P10 mock treatment 3.4701 -0.336 -0.32 3.169 -1.32 -1.18 -1.06 -0.8666 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P11 mock treatment 3.4517 -0.354 -0.34 3.4771 -1.02 -0.91 -0.8778 -0.9085 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P12 mock treatment 3.3444 -0.461 -0.44 3.4844 -1.01 -0.9 -0.945 -0.9449 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P13 mock treatment 3.9945 0.189 0.18 3.526 -0.967 -0.86 -0.4837 -0.5491 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P14 mock treatment 3.2302 -0.576 -0.54 4.528 0.0352 0.03 -0.3631 -0.6652 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P15 mock treatment 3.0331 -0.773 -0.73 3.8743 -0.619 -0.55 -0.9075 -0.9903 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P16 mock treatment 3.1884 -0.617 -0.58 3.1362 -1.36 -1.21 -1.2691 -0.9442 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P17 mock treatment 3.1016 -0.704 -0.67 4.2149 -0.278 -0.25 -0.6467 -0.9092 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P18 mock treatment 3.4528 -0.353 -0.33 3.9905 -0.502 -0.45 -0.5532 -0.9896 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P19 mock treatment 3.5524 -0.254 -0.24 2.9029 -1.59 -1.42 -1.1727 -0.8152 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P20 mock treatment 3.4038 -0.402 -0.38 3.3893 -1.1 -0.98 -0.9653 -0.9145 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P21 mock treatment 3.1734 -0.632 -0.6 3.5418 -0.951 -0.85 -1.0233 -0.9854 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P22 mock treatment 2.4126 -1.39 -1.32 3.3162 -1.18 -1.05 -1.6749 -0.9936 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P23 mock treatment 3.076 -0.73 -0.69 3.4868 -1.01 -0.9 -1.1232 -0.9916 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas1 P24 mock treatment 2.5267 -1.28 -1.21 2.8207 -1.67 -1.49 -1.9111 -0.9946 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A01 mock treatment 4.736 0.509 0.48 4.1014 -0.299 -0.27 0.1519 0.2758 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A02 mock treatment 4.5779 0.351 0.33 5.4145 1.01 0.9 0.8745 0.9075 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A03 mock treatment 5.6485 1.42 1.35 3.7675 -0.633 -0.57 0.552 0.3782 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A04 mock treatment 4.2304 0.00348 0.0 4.8594 0.459 0.41 0.2917 0.7128 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A05 mock treatment 4.331 0.104 0.1 4.9625 0.562 0.5 0.4241 0.8302 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A06 mock treatment 5.1344 0.907 0.86 4.2714 -0.129 -0.12 0.5258 0.6067 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A07 mock treatment 5.128 0.901 0.85 4.087 -0.314 -0.28 0.4052 0.4513 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A08 mock treatment 5.7288 1.5 1.42 4.8902 0.489 0.44 1.314 0.8836 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A09 mock treatment 4.8055 0.579 0.55 4.9737 0.573 0.51 0.7488 0.9994 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A10 mock treatment 5.2165 0.99 0.94 4.5048 0.104 0.09 0.728 0.7734 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A11 mock treatment 4.8394 0.612 0.58 3.901 -0.5 -0.45 0.0946 0.1294 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A12 mock treatment 5.014 0.787 0.75 3.5311 -0.87 -0.78 -0.0218 -0.0203 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A13 mock treatment 4.0399 -0.187 -0.18 3.8924 -0.508 -0.45 -0.4459 -0.9159 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A14 mock treatment 4.4871 0.26 0.25 4.9799 0.579 0.52 0.5395 0.9425 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A15 mock treatment 4.3153 0.0884 0.08 4.823 0.422 0.38 0.3255 0.8436 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A16 mock treatment 4.8534 0.626 0.59 4.4675 0.0668 0.06 0.4614 0.7743 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A17 mock treatment 4.7509 0.524 0.5 4.2353 -0.165 -0.15 0.2464 0.4761 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A18 mock treatment 4.2765 0.0495 0.05 4.5301 0.129 0.12 0.1147 0.9213 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A19 mock treatment 4.2191 -0.00779 -0.01 4.2636 -0.137 -0.12 -0.0917 -0.7484 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A20 mock treatment 4.5674 0.34 0.32 4.0607 -0.34 -0.3 0.0134 0.0302 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A21 mock treatment 4.647 0.42 0.4 3.8721 -0.529 -0.47 -0.0524 -0.0849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A22 mock treatment 3.9842 -0.243 -0.23 3.9886 -0.412 -0.37 -0.4225 -0.9744 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A23 mock treatment 4.9742 0.747 0.71 3.7738 -0.627 -0.56 0.1047 0.1161 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 A24 mock treatment 4.398 0.171 0.16 3.8569 -0.544 -0.49 -0.2286 -0.447 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B01 mock treatment 4.7244 0.497 0.47 4.4098 0.00904 0.01 0.3387 0.7191 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B02 mock treatment 4.3372 0.11 0.1 4.8018 0.401 0.36 0.3268 0.8769 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B03 mock treatment 4.6147 0.388 0.37 4.3387 -0.062 -0.06 0.2204 0.5938 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B04 mock treatment 4.8187 0.592 0.56 4.9912 0.59 0.53 0.7686 0.9995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B05 mock treatment 4.4726 0.246 0.23 5.226 0.825 0.74 0.685 0.8872 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B06 mock treatment 4.1106 -0.116 -0.11 5.9711 1.57 1.4 0.9129 0.6495 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B07 mock treatment 4.7228 0.496 0.47 4.6365 0.236 0.21 0.4806 0.9344 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B08 mock treatment 5.1436 0.917 0.87 4.4754 0.0746 0.07 0.6606 0.7591 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B09 mock treatment 4.6732 0.446 0.42 4.7958 0.395 0.35 0.548 0.996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B10 mock treatment 4.4534 0.226 0.21 5.1704 0.77 0.69 0.6371 0.8857 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B11 mock treatment 5.6706 1.44 1.37 4.3963 -0.00445 0.0 0.9635 0.705 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B12 mock treatment 4.9605 0.734 0.69 5.0289 0.628 0.56 0.8873 0.9944 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B13 mock treatment 4.4171 0.19 0.18 5.063 0.662 0.59 0.5451 0.8825 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B14 mock treatment 4.4889 0.262 0.25 4.6537 0.253 0.23 0.3349 0.9989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B15 mock treatment 5.9489 1.72 1.63 4.2053 -0.195 -0.17 1.0293 0.6279 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B16 mock treatment 4.7514 0.524 0.5 4.5256 0.125 0.11 0.4298 0.8448 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B17 mock treatment 3.9046 -0.322 -0.31 4.5457 0.145 0.13 -0.1243 -0.375 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B18 mock treatment 4.5119 0.285 0.27 4.4407 0.04 0.04 0.216 0.7937 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B19 mock treatment 4.488 0.261 0.25 5.0884 0.688 0.61 0.6086 0.9201 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B20 mock treatment 4.2578 0.0309 0.03 4.6984 0.298 0.27 0.2085 0.7802 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B21 mock treatment 4.0741 -0.153 -0.14 4.4355 0.0348 0.03 -0.0804 -0.543 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B22 mock treatment 3.9258 -0.301 -0.29 3.9772 -0.424 -0.38 -0.4687 -0.9903 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B23 mock treatment 4.4079 0.181 0.17 4.3693 -0.0314 -0.03 0.1013 0.5837 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 B24 mock treatment 4.2437 0.0167 0.02 4.3523 -0.0485 -0.04 -0.0194 -0.4204 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C01 mock treatment 5.0164 0.789 0.75 4.4646 0.0639 0.06 0.5687 0.7589 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C02 mock treatment 4.0119 -0.215 -0.2 5.0588 0.658 0.59 0.2712 0.4365 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C03 mock treatment 4.3333 0.106 0.1 5.0875 0.687 0.61 0.5045 0.8124 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C04 mock treatment 3.9243 -0.303 -0.29 4.7935 0.393 0.35 0.0452 0.0999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C05 mock treatment 4.3426 0.116 0.11 4.4555 0.0547 0.05 0.1119 0.9338 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C06 mock treatment 4.3787 0.152 0.14 4.4591 0.0584 0.05 0.1384 0.9057 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C07 mock treatment 3.969 -0.258 -0.24 5.5994 1.2 1.07 0.5836 0.532 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C08 mock treatment 4.2007 -0.0263 -0.02 4.6317 0.231 0.21 0.1281 0.6173 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C09 mock treatment 4.4025 0.176 0.17 4.4038 0.00303 0.0 0.1194 0.7185 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C10 mock treatment 4.2275 5.29E-4 0.0 3.8791 -0.522 -0.47 -0.3287 -0.7063 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C11 mock treatment 3.8616 -0.365 -0.35 4.1859 -0.215 -0.19 -0.3801 -0.9613 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C12 mock treatment 3.8014 -0.426 -0.4 4.3834 -0.0173 -0.02 -0.2958 -0.7337 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C13 mock treatment 4.0116 -0.215 -0.2 4.6241 0.223 0.2 -0.0032 -0.0112 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C14 mock treatment 4.232 0.0051 0.0 4.7393 0.339 0.3 0.217 0.7183 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C15 mock treatment 3.7747 -0.452 -0.43 4.6607 0.26 0.23 -0.1387 -0.2849 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C16 mock treatment 4.002 -0.225 -0.21 5.1173 0.717 0.64 0.3016 0.4475 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C17 mock treatment 3.6405 -0.586 -0.56 4.4601 0.0594 0.05 -0.3551 -0.6367 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C18 mock treatment 3.7666 -0.46 -0.44 4.6299 0.229 0.2 -0.1636 -0.3399 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C19 mock treatment 3.5358 -0.691 -0.65 3.9027 -0.498 -0.44 -0.7768 -0.9822 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C20 mock treatment 3.5749 -0.652 -0.62 3.5527 -0.848 -0.76 -0.9715 -0.9949 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C21 mock treatment 3.9957 -0.231 -0.22 4.0339 -0.367 -0.33 -0.3862 -0.9809 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C22 mock treatment 3.8838 -0.343 -0.32 4.0326 -0.368 -0.33 -0.4619 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C23 mock treatment 3.9524 -0.275 -0.26 4.3059 -0.0949 -0.08 -0.2436 -0.8913 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 C24 mock treatment 3.4454 -0.782 -0.74 3.5005 -0.9 -0.8 -1.0911 -0.9992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D01 mock treatment 4.5876 0.361 0.34 4.4516 0.0509 0.05 0.2735 0.7941 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D02 mock treatment 4.412 0.185 0.18 4.3546 -0.0461 -0.04 0.0947 0.5266 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D03 mock treatment 4.3206 0.0936 0.09 4.6704 0.27 0.24 0.2328 0.9079 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D04 mock treatment 4.3109 0.084 0.08 4.2667 -0.134 -0.12 -0.0284 -0.1975 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D05 mock treatment 3.6566 -0.57 -0.54 4.5148 0.114 0.1 -0.3098 -0.5639 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D06 mock treatment 5.4806 1.25 1.19 4.1329 -0.268 -0.24 0.6702 0.5536 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D07 mock treatment 4.5806 0.354 0.33 4.5467 0.146 0.13 0.3288 0.9154 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D08 mock treatment 3.6533 -0.574 -0.54 4.4886 0.0879 0.08 -0.3285 -0.5987 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D09 mock treatment 4.0131 -0.214 -0.2 3.9221 -0.479 -0.43 -0.4451 -0.9418 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D10 mock treatment 3.7514 -0.476 -0.45 4.8386 0.438 0.39 -0.042 -0.0705 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D11 mock treatment 4.0444 -0.183 -0.17 4.9379 0.537 0.48 0.2167 0.4253 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D12 mock treatment 5.2252 0.998 0.94 4.4676 0.0669 0.06 0.7104 0.7503 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D13 mock treatment 3.823 -0.404 -0.38 4.5303 0.13 0.12 -0.1887 -0.4723 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D14 mock treatment 4.4451 0.218 0.21 4.9178 0.517 0.46 0.4722 0.9343 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D15 mock treatment 4.4152 0.188 0.18 4.3505 -0.0502 -0.04 0.0943 0.5132 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D16 mock treatment 3.7552 -0.472 -0.45 4.0062 -0.395 -0.35 -0.5647 -0.9931 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D17 mock treatment 3.8429 -0.384 -0.36 4.0019 -0.399 -0.36 -0.5087 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D18 mock treatment 3.5032 -0.724 -0.69 4.5776 0.177 0.16 -0.3729 -0.5304 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D19 mock treatment 3.493 -0.734 -0.69 4.1203 -0.28 -0.25 -0.6681 -0.9049 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D20 mock treatment 3.8072 -0.42 -0.4 3.9547 -0.446 -0.4 -0.5624 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D21 mock treatment 3.8177 -0.409 -0.39 4.1139 -0.287 -0.26 -0.4549 -0.9798 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D22 mock treatment 3.7363 -0.491 -0.46 5.0289 0.628 0.56 0.0679 0.0932 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D23 mock treatment 3.7184 -0.509 -0.48 3.5537 -0.847 -0.76 -0.8748 -0.9763 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 D24 mock treatment 3.8468 -0.38 -0.36 3.5177 -0.883 -0.79 -0.8115 -0.9369 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E01 mock treatment 4.2737 0.0468 0.04 4.5238 0.123 0.11 0.109 0.9203 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E02 mock treatment 4.4594 0.232 0.22 4.658 0.257 0.23 0.3179 0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E03 mock treatment 5.0551 0.828 0.78 4.5487 0.148 0.13 0.6476 0.8147 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E04 mock treatment 3.8996 -0.327 -0.31 4.8119 0.411 0.37 0.0403 0.0839 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E05 mock treatment 3.9808 -0.246 -0.23 4.4353 0.0345 0.03 -0.1429 -0.6083 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E06 mock treatment 4.149 -0.078 -0.07 4.5246 0.124 0.11 0.026 0.1954 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E07 mock treatment 4.6455 0.419 0.4 4.4658 0.065 0.06 0.3212 0.8021 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E08 mock treatment 5.2887 1.06 1.01 5.2427 0.842 0.75 1.2418 0.9897 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E09 mock treatment 4.1826 -0.0444 -0.04 4.5787 0.178 0.16 0.0826 0.5027 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E10 mock treatment 4.3771 0.15 0.14 4.0962 -0.305 -0.27 -0.0916 -0.2988 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E11 mock treatment 3.7438 -0.483 -0.46 4.4743 0.0735 0.07 -0.277 -0.5996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E12 mock treatment 3.9461 -0.281 -0.27 4.0629 -0.338 -0.3 -0.4011 -0.998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E13 mock treatment 4.0807 -0.146 -0.14 4.2643 -0.136 -0.12 -0.1839 -0.998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E14 mock treatment 4.1849 -0.042 -0.04 4.4994 0.0987 0.09 0.0342 0.3535 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E15 mock treatment 4.2959 0.069 0.07 4.628 0.227 0.2 0.1895 0.8898 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E16 mock treatment 3.8389 -0.388 -0.37 4.1442 -0.257 -0.23 -0.4216 -0.9741 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E17 mock treatment 4.2009 -0.026 -0.02 4.9276 0.527 0.47 0.3149 0.6691 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E18 mock treatment 4.2559 0.029 0.03 4.8156 0.415 0.37 0.2811 0.7575 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E19 mock treatment 4.0273 -0.2 -0.19 4.4746 0.0739 0.07 -0.087 -0.4348 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E20 mock treatment 3.9934 -0.234 -0.22 4.426 0.0253 0.02 -0.1404 -0.6318 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E21 mock treatment 4.3103 0.0834 0.08 4.4469 0.0461 0.04 0.0849 0.9539 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E22 mock treatment 4.4913 0.264 0.25 4.1442 -0.256 -0.23 0.0151 0.0446 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E23 mock treatment 5.6585 1.43 1.36 4.814 0.413 0.37 1.219 0.868 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 E24 mock treatment 3.9845 -0.242 -0.23 4.2653 -0.135 -0.12 -0.2477 -0.9551 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F01 mock treatment 4.0233 -0.204 -0.19 4.4123 0.0116 0.01 -0.129 -0.6682 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F02 mock treatment 4.861 0.634 0.6 4.3915 -0.0092 -0.01 0.4186 0.6974 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F03 mock treatment 4.3324 0.105 0.1 4.2213 -0.179 -0.16 -0.0426 -0.226 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F04 mock treatment 4.3691 0.142 0.13 4.5369 0.136 0.12 0.181 0.9987 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F05 mock treatment 4.38 0.153 0.14 5.2209 0.82 0.73 0.6199 0.831 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F06 mock treatment 4.6418 0.415 0.39 4.3653 -0.0354 -0.03 0.2553 0.6481 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F07 mock treatment 4.7304 0.504 0.48 4.0952 -0.306 -0.27 0.1443 0.2627 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F08 mock treatment 4.7367 0.51 0.48 4.917 0.516 0.46 0.6669 0.9997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F09 mock treatment 4.4248 0.198 0.19 4.845 0.444 0.4 0.4127 0.9414 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F10 mock treatment 4.3599 0.133 0.13 4.5341 0.133 0.12 0.1731 0.9996 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F11 mock treatment 4.974 0.747 0.71 5.1953 0.795 0.71 1.0013 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F12 mock treatment 3.6826 -0.544 -0.52 4.9065 0.506 0.45 -0.0453 -0.0661 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F13 mock treatment 4.3072 0.0802 0.08 4.0507 -0.35 -0.31 -0.1671 -0.52 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F14 mock treatment 4.3069 0.08 0.08 4.5188 0.118 0.11 0.128 0.9869 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F15 mock treatment 4.8906 0.664 0.63 3.943 -0.458 -0.41 0.1555 0.2075 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F16 mock treatment 4.8976 0.671 0.63 4.5867 0.186 0.17 0.5662 0.8629 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F17 mock treatment 4.0078 -0.219 -0.21 4.9643 0.564 0.5 0.2089 0.384 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F18 mock treatment 4.1797 -0.0473 -0.04 4.7796 0.379 0.34 0.2074 0.6082 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F19 mock treatment 4.1944 -0.0325 -0.03 4.2069 -0.194 -0.17 -0.1441 -0.8201 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F20 mock treatment 4.0894 -0.138 -0.13 4.7259 0.325 0.29 0.1131 0.3556 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F21 mock treatment 4.0745 -0.152 -0.14 4.4354 0.0347 0.03 -0.0802 -0.543 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F22 mock treatment 4.004 -0.223 -0.21 4.8131 0.412 0.37 0.1109 0.2615 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F23 mock treatment 4.8585 0.632 0.6 4.7927 0.392 0.35 0.67 0.9674 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 F24 mock treatment 4.2689 0.0419 0.04 5.0491 0.648 0.58 0.4371 0.7539 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G01 mock treatment 5.5789 1.35 1.28 4.9173 0.517 0.46 1.2309 0.9049 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G02 mock treatment 6.5649 2.34 2.21 5.1255 0.725 0.65 2.0222 0.877 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G03 mock treatment 5.3577 1.13 1.07 4.3684 -0.0323 -0.03 0.7365 0.6878 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G04 mock treatment 4.915 0.688 0.65 4.3233 -0.0774 -0.07 0.4117 0.6286 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G05 mock treatment 4.6524 0.425 0.4 4.6178 0.217 0.19 0.4217 0.9437 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G06 mock treatment 4.4638 0.237 0.22 4.2094 -0.191 -0.17 0.0378 0.1342 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G07 mock treatment 4.3562 0.129 0.12 4.9641 0.563 0.5 0.442 0.8543 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G08 mock treatment 4.2435 0.0165 0.02 4.7158 0.315 0.28 0.2098 0.7453 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G09 mock treatment 4.3349 0.108 0.1 4.8776 0.477 0.43 0.3731 0.8527 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G10 mock treatment 4.3403 0.113 0.11 4.9331 0.532 0.47 0.4117 0.8455 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G11 mock treatment 4.2492 0.0223 0.02 4.2692 -0.132 -0.12 -0.0681 -0.5709 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G12 mock treatment 4.5519 0.325 0.31 4.6907 0.29 0.26 0.4004 0.9963 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G13 mock treatment 4.6571 0.43 0.41 4.1746 -0.226 -0.2 0.1453 0.3197 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G14 mock treatment 4.5294 0.302 0.29 4.8795 0.479 0.43 0.5045 0.9811 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G15 mock treatment 4.7143 0.487 0.46 4.8264 0.426 0.38 0.5948 0.9953 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G16 mock treatment 4.3743 0.147 0.14 4.9759 0.575 0.51 0.4615 0.8679 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G17 mock treatment 4.0744 -0.153 -0.14 5.2607 0.86 0.77 0.4405 0.5641 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G18 mock treatment 4.2706 0.0436 0.04 5.0048 0.604 0.54 0.4103 0.7591 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G19 mock treatment 3.674 -0.553 -0.52 5.0289 0.628 0.56 0.0261 0.0341 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G20 mock treatment 4.6318 0.405 0.38 4.4188 0.018 0.02 0.2824 0.7361 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G21 mock treatment 4.5766 0.35 0.33 4.3747 -0.026 -0.02 0.2176 0.6559 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G22 mock treatment 4.5006 0.274 0.26 4.2841 -0.117 -0.1 0.1096 0.3927 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G23 mock treatment 4.0648 -0.162 -0.15 4.3754 -0.0253 -0.02 -0.1245 -0.8025 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 G24 mock treatment 4.6476 0.421 0.4 4.2614 -0.139 -0.12 0.1936 0.4642 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H01 mock treatment 5.0639 0.837 0.79 5.2706 0.87 0.78 1.109 0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H02 mock treatment 4.8899 0.663 0.63 4.9759 0.575 0.51 0.8066 0.995 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H03 mock treatment 4.7571 0.53 0.5 5.3254 0.925 0.82 0.9382 0.9716 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H04 mock treatment 4.4477 0.221 0.21 5.6201 1.22 1.09 0.917 0.8278 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H05 mock treatment 4.8312 0.604 0.57 5.1777 0.777 0.69 0.8946 0.9954 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H06 mock treatment 4.7995 0.573 0.54 5.1477 0.747 0.67 0.8545 0.9947 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H07 mock treatment 4.3443 0.117 0.11 5.3329 0.932 0.83 0.6666 0.7945 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H08 mock treatment 4.6179 0.391 0.37 4.3337 -0.067 -0.06 0.2194 0.5853 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H09 mock treatment 4.7333 0.506 0.48 4.8142 0.413 0.37 0.5998 0.9916 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H10 mock treatment 4.2398 0.0129 0.01 4.4832 0.0825 0.07 0.0606 0.813 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H11 mock treatment 4.5078 0.281 0.27 4.869 0.468 0.42 0.4834 0.9762 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H12 mock treatment 4.1253 -0.102 -0.1 5.0789 0.678 0.61 0.3598 0.5873 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H13 mock treatment 3.9467 -0.28 -0.27 4.3756 -0.0252 -0.02 -0.2035 -0.7642 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H14 mock treatment 4.109 -0.118 -0.11 4.8787 0.478 0.43 0.2226 0.505 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H15 mock treatment 3.9462 -0.281 -0.27 4.6862 0.285 0.25 -0.0078 -0.0212 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H16 mock treatment 4.1529 -0.0741 -0.07 4.4132 0.0125 0.01 -0.0417 -0.5875 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H17 mock treatment 4.3798 0.153 0.14 4.2264 -0.174 -0.16 -0.0077 -0.0361 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H18 mock treatment 4.431 0.204 0.19 4.3329 -0.0678 -0.06 0.0938 0.4634 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H19 mock treatment 4.7243 0.497 0.47 4.7793 0.379 0.34 0.5717 0.9867 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H20 mock treatment 3.8931 -0.334 -0.32 4.3769 -0.0238 -0.02 -0.2384 -0.753 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H21 mock treatment 4.2968 0.0699 0.07 4.5047 0.104 0.09 0.1124 0.9862 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H22 mock treatment 4.7772 0.55 0.52 4.6385 0.238 0.21 0.5183 0.9216 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H23 mock treatment 4.4191 0.192 0.18 4.6991 0.298 0.27 0.3169 0.9827 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 H24 mock treatment 4.028 -0.199 -0.19 4.724 0.323 0.29 0.0708 0.2054 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I01 mock treatment 4.5973 0.37 0.35 4.477 0.0762 0.07 0.296 0.8288 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I02 mock treatment 4.7122 0.485 0.46 5.2533 0.853 0.76 0.8627 0.9708 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I03 mock treatment 4.4251 0.198 0.19 4.0039 -0.397 -0.35 -0.1178 -0.2939 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I04 mock treatment 4.4408 0.214 0.2 4.3631 -0.0376 -0.03 0.1194 0.5819 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I05 mock treatment 3.5154 -0.712 -0.67 4.9894 0.589 0.53 -0.1049 -0.1228 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I06 mock treatment 5.0118 0.785 0.74 4.0237 -0.377 -0.34 0.2875 0.3525 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I07 mock treatment 4.0 -0.227 -0.21 5.0012 0.601 0.54 0.227 0.3932 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I08 mock treatment 4.7476 0.521 0.49 4.6674 0.267 0.24 0.5167 0.9442 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I09 mock treatment 3.9794 -0.248 -0.23 4.7301 0.329 0.29 0.0421 0.112 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I10 mock treatment 4.4049 0.178 0.17 4.5065 0.106 0.09 0.1858 0.9625 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I11 mock treatment 4.4605 0.234 0.22 4.521 0.12 0.11 0.2322 0.9449 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I12 mock treatment 4.2294 0.00245 0.0 4.1444 -0.256 -0.23 -0.1601 -0.6999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I13 mock treatment 4.017 -0.21 -0.2 5.0811 0.68 0.61 0.2887 0.452 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I14 mock treatment 4.4362 0.209 0.2 4.4196 0.0189 0.02 0.152 0.7645 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I15 mock treatment 3.8936 -0.333 -0.32 4.1602 -0.241 -0.21 -0.3749 -0.9823 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I16 mock treatment 4.6476 0.421 0.4 4.6302 0.229 0.2 0.4263 0.9522 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I17 mock treatment 4.4791 0.252 0.24 4.5664 0.166 0.15 0.2733 0.9734 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I18 mock treatment 4.25 0.0231 0.02 4.6609 0.26 0.23 0.1796 0.7702 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I19 mock treatment 4.2354 0.00848 0.01 4.2698 -0.131 -0.12 -0.0769 -0.657 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I20 mock treatment 4.3043 0.0773 0.07 4.9986 0.598 0.53 0.429 0.7967 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I21 mock treatment 3.9323 -0.295 -0.28 4.3256 -0.0752 -0.07 -0.2446 -0.8529 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I22 mock treatment 3.9796 -0.247 -0.23 4.3726 -0.0281 -0.03 -0.1833 -0.7785 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I23 mock treatment 4.0031 -0.224 -0.21 4.5286 0.128 0.11 -0.0692 -0.2874 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 I24 mock treatment 4.1973 -0.0297 -0.03 4.1476 -0.253 -0.23 -0.1796 -0.789 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J01 mock treatment 4.052 -0.175 -0.17 5.5077 1.11 0.99 0.5813 0.5805 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J02 mock treatment 4.6063 0.379 0.36 5.3001 0.899 0.8 0.8213 0.9343 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J03 mock treatment 4.7152 0.488 0.46 4.7199 0.319 0.28 0.5281 0.9729 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J04 mock treatment 4.7446 0.518 0.49 4.5526 0.152 0.14 0.4423 0.87 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J05 mock treatment 4.0176 -0.209 -0.2 4.6257 0.225 0.2 0.0018 0.0065 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J06 mock treatment 4.4758 0.249 0.24 4.6408 0.24 0.21 0.3181 0.9989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J07 mock treatment 4.2 -0.0269 -0.03 4.7382 0.337 0.3 0.1949 0.6449 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J08 mock treatment 4.0922 -0.135 -0.13 4.7007 0.3 0.27 0.0991 0.3342 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J09 mock treatment 4.2994 0.0724 0.07 5.8321 1.43 1.28 0.9515 0.744 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J10 mock treatment 4.338 0.111 0.11 3.4864 -0.914 -0.82 -0.5025 -0.6109 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J11 mock treatment 4.5189 0.292 0.28 4.9751 0.574 0.51 0.5578 0.958 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J12 mock treatment 4.3519 0.125 0.12 4.7197 0.319 0.28 0.2849 0.9244 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J13 mock treatment 4.1665 -0.0605 -0.06 4.0056 -0.395 -0.35 -0.2897 -0.8113 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J14 mock treatment 3.8232 -0.404 -0.38 4.536 0.135 0.12 -0.1849 -0.4613 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J15 mock treatment 4.7422 0.515 0.49 5.8659 1.47 1.31 1.2692 0.9097 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J16 mock treatment 4.1573 -0.0696 -0.07 5.4268 1.03 0.92 0.6008 0.6545 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J17 mock treatment 4.017 -0.21 -0.2 5.0555 0.655 0.58 0.2725 0.4417 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J18 mock treatment 4.337 0.11 0.1 4.5805 0.18 0.16 0.187 0.9782 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J19 mock treatment 4.1689 -0.058 -0.05 4.1155 -0.285 -0.25 -0.2188 -0.8404 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J20 mock treatment 4.257 0.0301 0.03 4.4174 0.0167 0.01 0.0306 0.9544 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J21 mock treatment 4.1795 -0.0475 -0.04 4.5868 0.186 0.17 0.0856 0.4978 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J22 mock treatment 3.8932 -0.334 -0.32 4.7895 0.389 0.35 0.0219 0.0467 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J23 mock treatment 4.4034 0.176 0.17 3.4964 -0.904 -0.81 -0.4524 -0.5491 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 J24 mock treatment 4.443 0.216 0.2 4.5525 0.152 0.14 0.2403 0.9799 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K01 mock treatment 4.2604 0.0335 0.03 5.0935 0.693 0.62 0.4595 0.7424 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K02 mock treatment 4.7989 0.572 0.54 4.656 0.255 0.23 0.5438 0.9259 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K03 mock treatment 4.1012 -0.126 -0.12 4.5523 0.152 0.14 0.0114 0.0635 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K04 mock treatment 4.7655 0.539 0.51 4.6712 0.27 0.24 0.5311 0.9416 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K05 mock treatment 3.7851 -0.442 -0.42 4.495 0.0942 0.08 -0.2363 -0.5539 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K06 mock treatment 4.7096 0.483 0.46 4.2324 -0.168 -0.15 0.2169 0.4509 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K07 mock treatment 4.2872 0.0602 0.06 4.5974 0.197 0.18 0.1644 0.891 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K08 mock treatment 4.1236 -0.103 -0.1 5.2468 0.846 0.75 0.4646 0.6104 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K09 mock treatment 4.6242 0.397 0.38 4.4378 0.037 0.03 0.2893 0.7663 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K10 mock treatment 4.1967 -0.0302 -0.03 4.5016 0.101 0.09 0.0434 0.4598 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K11 mock treatment 3.9713 -0.256 -0.24 4.9674 0.567 0.51 0.1864 0.3325 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K12 mock treatment 4.5645 0.338 0.32 4.6045 0.204 0.18 0.3545 0.9643 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K13 mock treatment 5.4117 1.18 1.12 4.2389 -0.162 -0.14 0.6909 0.611 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K14 mock treatment 4.8603 0.633 0.6 4.454 0.0533 0.05 0.4575 0.7608 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K15 mock treatment 3.9372 -0.29 -0.27 4.7421 0.341 0.3 0.0214 0.0522 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K16 mock treatment 4.8027 0.576 0.54 4.6264 0.226 0.2 0.5277 0.9083 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K17 mock treatment 4.1672 -0.0597 -0.06 5.0191 0.618 0.55 0.3502 0.6314 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K18 mock treatment 4.0481 -0.179 -0.17 4.6418 0.241 0.22 0.0323 0.1182 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K19 mock treatment 3.9324 -0.295 -0.28 4.0525 -0.348 -0.31 -0.4169 -0.9985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K20 mock treatment 4.1087 -0.118 -0.11 5.3306 0.93 0.83 0.5075 0.6062 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K21 mock treatment 4.0 -0.227 -0.21 4.0821 -0.319 -0.28 -0.3529 -0.9905 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K22 mock treatment 4.6164 0.389 0.37 4.9002 0.499 0.45 0.5758 0.9956 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K23 mock treatment 4.5249 0.298 0.28 4.1449 -0.256 -0.23 0.0381 0.105 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 K24 mock treatment 3.7465 -0.48 -0.45 5.782 1.38 1.23 0.5498 0.4186 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L01 mock treatment 4.4725 0.246 0.23 4.8383 0.438 0.39 0.4404 0.9693 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L02 mock treatment 3.7388 -0.488 -0.46 4.397 -0.00371 0.0 -0.3291 -0.7122 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L03 mock treatment 5.2632 1.04 0.98 4.4174 0.0167 0.01 0.7041 0.7177 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L04 mock treatment 4.4378 0.211 0.2 4.0444 -0.356 -0.32 -0.0837 -0.2229 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L05 mock treatment 4.1955 -0.0314 -0.03 4.528 0.127 0.11 0.0592 0.5048 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L06 mock treatment 4.3099 0.0829 0.08 4.1829 -0.218 -0.19 -0.0819 -0.3908 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L07 mock treatment 4.1113 -0.116 -0.11 4.4223 0.0216 0.02 -0.0638 -0.574 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L08 mock treatment 4.1373 -0.0897 -0.08 4.0675 -0.333 -0.3 -0.2703 -0.8741 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L09 mock treatment 4.074 -0.153 -0.14 4.6655 0.265 0.24 0.0646 0.2332 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L10 mock treatment 3.9093 -0.318 -0.3 4.4028 0.00207 0.0 -0.2113 -0.7027 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L11 mock treatment 4.0732 -0.154 -0.15 4.3667 -0.034 -0.03 -0.1243 -0.8365 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L12 mock treatment 3.7786 -0.448 -0.42 5.1766 0.776 0.69 0.1893 0.2332 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L13 mock treatment 4.361 0.134 0.13 5.0837 0.683 0.61 0.5206 0.8364 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L14 mock treatment 3.9869 -0.24 -0.23 4.7329 0.332 0.3 0.0488 0.1308 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L15 mock treatment 4.5531 0.326 0.31 4.2654 -0.135 -0.12 0.1329 0.401 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L16 mock treatment 4.2516 0.0246 0.02 5.4181 1.02 0.91 0.6583 0.725 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L17 mock treatment 5.1936 0.967 0.92 4.3421 -0.0586 -0.05 0.6101 0.6656 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L18 mock treatment 3.6519 -0.575 -0.54 4.3711 -0.0296 -0.03 -0.4036 -0.7405 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L19 mock treatment 4.5058 0.279 0.26 4.4532 0.0525 0.05 0.2198 0.8198 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L20 mock treatment 3.707 -0.52 -0.49 4.1148 -0.286 -0.26 -0.5284 -0.9532 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L21 mock treatment 4.8025 0.576 0.54 4.2457 -0.155 -0.14 0.2874 0.5113 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L22 mock treatment 4.8744 0.647 0.61 4.5537 0.153 0.14 0.5299 0.8439 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L23 mock treatment 4.4862 0.259 0.25 4.6773 0.277 0.25 0.348 1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 L24 mock treatment 3.6245 -0.602 -0.57 4.4521 0.0514 0.05 -0.3708 -0.6482 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M01 mock treatment 3.7399 -0.487 -0.46 3.618 -0.783 -0.7 -0.8198 -0.9797 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M02 mock treatment 4.4654 0.238 0.23 3.5983 -0.802 -0.72 -0.3466 -0.4618 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M03 mock treatment 5.5575 1.33 1.26 4.0417 -0.359 -0.32 0.6641 0.511 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M04 mock treatment 4.2643 0.0374 0.04 4.8244 0.424 0.38 0.2923 0.7699 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M05 mock treatment 3.9626 -0.264 -0.25 3.9882 -0.413 -0.37 -0.4372 -0.9823 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M06 mock treatment 3.5895 -0.637 -0.6 3.7289 -0.672 -0.6 -0.8505 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M07 mock treatment 3.5244 -0.703 -0.66 4.101 -0.3 -0.27 -0.6593 -0.9199 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M08 mock treatment 4.0741 -0.153 -0.14 4.5589 0.158 0.14 -0.0025 -0.0126 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M09 mock treatment 3.7703 -0.457 -0.43 4.3928 -0.00796 -0.01 -0.3107 -0.7186 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M10 mock treatment 4.4602 0.233 0.22 4.2072 -0.194 -0.17 0.034 0.1214 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M11 mock treatment 4.3617 0.135 0.13 4.3318 -0.0689 -0.06 0.0467 0.33 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M12 mock treatment 3.9342 -0.293 -0.28 4.005 -0.396 -0.35 -0.4457 -0.9928 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M13 mock treatment 4.2303 0.00337 0.0 4.3108 -0.0899 -0.08 -0.0545 -0.6785 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M14 mock treatment 4.4934 0.266 0.25 4.4843 0.0835 0.07 0.2311 0.8785 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M15 mock treatment 5.1221 0.895 0.85 3.995 -0.406 -0.36 0.3432 0.3725 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M16 mock treatment 3.8403 -0.387 -0.37 4.232 -0.169 -0.15 -0.3653 -0.9229 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M17 mock treatment 5.0543 0.827 0.78 4.5379 0.137 0.12 0.6404 0.8078 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M18 mock treatment 5.0719 0.845 0.8 5.6086 1.21 1.08 1.3276 0.9892 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M19 mock treatment 4.1127 -0.114 -0.11 4.2841 -0.117 -0.1 -0.1501 -0.9998 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M20 mock treatment 4.9162 0.689 0.65 4.0411 -0.36 -0.32 0.2345 0.3225 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M21 mock treatment 4.1484 -0.0786 -0.07 4.5907 0.19 0.17 0.0672 0.3632 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M22 mock treatment 4.4692 0.242 0.23 4.1559 -0.245 -0.22 0.0077 0.0243 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M23 mock treatment 3.9923 -0.235 -0.22 4.8016 0.401 0.36 0.0958 0.2276 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 M24 mock treatment 3.8493 -0.378 -0.36 4.6238 0.223 0.2 -0.1121 -0.2739 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N01 mock treatment 4.4656 0.239 0.23 4.2891 -0.112 -0.1 0.0893 0.3617 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N02 mock treatment 3.9165 -0.31 -0.29 5.4248 1.02 0.91 0.4383 0.4567 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N03 mock treatment 3.3008 -0.926 -0.88 4.1727 -0.228 -0.2 -0.7638 -0.8487 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N04 mock treatment 3.4828 -0.744 -0.7 4.4309 0.0301 0.03 -0.4791 -0.6796 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N05 mock treatment 4.9952 0.768 0.73 4.7631 0.362 0.32 0.7428 0.9334 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N06 mock treatment 4.1835 -0.0434 -0.04 4.4227 0.022 0.02 -0.0152 -0.3336 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N07 mock treatment 4.0536 -0.173 -0.16 4.525 0.124 0.11 -0.0376 -0.19 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N08 mock treatment 4.1857 -0.0412 -0.04 4.4891 0.0884 0.08 0.0282 0.3203 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N09 mock treatment 4.956 0.729 0.69 4.3936 -0.00712 -0.01 0.4835 0.7006 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N10 mock treatment 4.1797 -0.0473 -0.04 4.2769 -0.124 -0.11 -0.1098 -0.9208 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N11 mock treatment 4.2427 0.0158 0.01 4.5556 0.155 0.14 0.1082 0.779 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N12 mock treatment 3.4542 -0.773 -0.73 4.3414 -0.0593 -0.05 -0.5547 -0.7563 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N13 mock treatment 4.2409 0.014 0.01 4.3018 -0.099 -0.09 -0.0531 -0.5947 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N14 mock treatment 3.968 -0.259 -0.25 5.4288 1.03 0.92 0.4753 0.5006 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N15 mock treatment 4.2982 0.0712 0.07 4.8357 0.435 0.39 0.3221 0.8177 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N16 mock treatment 3.7843 -0.443 -0.42 3.8628 -0.538 -0.48 -0.6357 -0.9977 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N17 mock treatment 4.4108 0.184 0.17 3.8253 -0.575 -0.51 -0.24 -0.4427 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N18 mock treatment 4.181 -0.046 -0.04 4.2675 -0.133 -0.12 -0.1148 -0.9072 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N19 mock treatment 4.5286 0.302 0.29 5.4299 1.03 0.92 0.8512 0.8852 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N20 mock treatment 3.5491 -0.678 -0.64 3.9027 -0.498 -0.44 -0.7679 -0.9839 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N21 mock treatment 4.1166 -0.11 -0.1 4.6599 0.259 0.23 0.0896 0.3532 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N22 mock treatment 4.7259 0.499 0.47 4.6025 0.202 0.18 0.4613 0.9126 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N23 mock treatment 4.4016 0.175 0.17 4.5144 0.114 0.1 0.1886 0.9724 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 N24 mock treatment 3.5852 -0.642 -0.61 4.5348 0.134 0.12 -0.345 -0.5572 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O01 mock treatment 3.4901 -0.737 -0.7 3.4462 -0.954 -0.85 -1.0953 -0.9951 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O02 mock treatment 3.2865 -0.94 -0.89 3.2863 -1.11 -0.99 -1.3326 -0.9985 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O03 mock treatment 3.7494 -0.478 -0.45 3.2883 -1.11 -0.99 -1.0215 -0.9366 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O04 mock treatment 3.6229 -0.604 -0.57 3.297 -1.1 -0.98 -1.1007 -0.9666 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O05 mock treatment 3.3046 -0.922 -0.87 3.5638 -0.837 -0.75 -1.1454 -0.997 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O06 mock treatment 3.7049 -0.522 -0.49 3.3114 -1.09 -0.97 -1.0367 -0.9508 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O07 mock treatment 3.9832 -0.244 -0.23 3.6601 -0.741 -0.66 -0.6305 -0.9007 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O08 mock treatment 3.4621 -0.765 -0.72 3.5945 -0.806 -0.72 -1.0206 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O09 mock treatment 3.5154 -0.712 -0.67 4.2682 -0.133 -0.12 -0.5599 -0.8187 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O10 mock treatment 3.2736 -0.953 -0.9 3.1271 -1.27 -1.14 -1.4417 -0.9935 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O11 mock treatment 3.6586 -0.568 -0.54 3.3314 -1.07 -0.95 -1.0551 -0.9632 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O12 mock treatment 3.2279 -0.999 -0.95 2.8098 -1.59 -1.42 -1.6724 -0.9805 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O13 mock treatment 3.9945 -0.232 -0.22 3.3791 -1.02 -0.91 -0.8001 -0.8533 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O14 mock treatment 3.437 -0.79 -0.75 3.3179 -1.08 -0.97 -1.2119 -0.992 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O15 mock treatment 3.1493 -1.08 -1.02 3.2327 -1.17 -1.04 -1.4582 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O16 mock treatment 3.722 -0.505 -0.48 3.0482 -1.35 -1.21 -1.1913 -0.9178 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O17 mock treatment 3.6916 -0.535 -0.51 3.1444 -1.26 -1.12 -1.1509 -0.9356 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O18 mock treatment 3.1724 -1.05 -1.0 3.2529 -1.15 -1.02 -1.43 -0.9999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O19 mock treatment 3.8725 -0.354 -0.34 3.2268 -1.17 -1.05 -0.9779 -0.8891 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O20 mock treatment 3.6407 -0.586 -0.55 3.9803 -0.42 -0.38 -0.6576 -0.9818 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O21 mock treatment 3.6114 -0.616 -0.58 3.0159 -1.38 -1.24 -1.2857 -0.9412 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O22 mock treatment 3.4137 -0.813 -0.77 3.2349 -1.17 -1.04 -1.2799 -0.989 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O23 mock treatment 3.0978 -1.13 -1.07 2.789 -1.61 -1.44 -1.7727 -0.9893 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 O24 mock treatment 3.535 -0.692 -0.65 3.2053 -1.2 -1.07 -1.2173 -0.9726 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P01 mock treatment 3.4827 -0.744 -0.7 3.7396 -0.661 -0.59 -0.9153 -0.9961 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P02 mock treatment 3.5571 -0.67 -0.63 3.4372 -0.964 -0.86 -1.0562 -0.9888 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P03 mock treatment 3.5914 -0.636 -0.6 3.5468 -0.854 -0.76 -0.9641 -0.9932 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P04 mock treatment 3.7249 -0.502 -0.48 3.4253 -0.975 -0.87 -0.9515 -0.9595 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P05 mock treatment 3.3922 -0.835 -0.79 3.2646 -1.14 -1.01 -1.2755 -0.9924 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P06 mock treatment 3.2792 -0.948 -0.9 3.636 -0.765 -0.68 -1.1168 -0.9909 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P07 mock treatment 3.3558 -0.871 -0.82 3.2162 -1.18 -1.06 -1.3304 -0.9925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P08 mock treatment 3.4222 -0.805 -0.76 3.3075 -1.09 -0.98 -1.2284 -0.9925 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P09 mock treatment 3.6302 -0.597 -0.56 3.0112 -1.39 -1.24 -1.2761 -0.9366 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P10 mock treatment 3.0742 -1.15 -1.09 3.1703 -1.23 -1.1 -1.5478 -1.0 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P11 mock treatment 3.2038 -1.02 -0.97 3.0451 -1.36 -1.21 -1.5401 -0.9939 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P12 mock treatment 3.4695 -0.757 -0.72 3.4309 -0.97 -0.87 -1.1189 -0.9956 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P13 mock treatment 3.5665 -0.66 -0.63 3.1924 -1.21 -1.08 -1.2043 -0.9664 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P14 mock treatment 3.4273 -0.8 -0.76 3.7343 -0.666 -0.59 -0.9556 -0.9929 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P15 mock treatment 4.2321 0.00515 0.0 3.5172 -0.884 -0.79 -0.554 -0.7027 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P16 mock treatment 3.8395 -0.387 -0.37 3.3431 -1.06 -0.94 -0.9266 -0.9152 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P17 mock treatment 3.5914 -0.636 -0.6 3.5146 -0.886 -0.79 -0.9844 -0.9909 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P18 mock treatment 3.1042 -1.12 -1.06 3.311 -1.09 -0.97 -1.439 -0.999 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P19 mock treatment 3.9088 -0.318 -0.3 3.1903 -1.21 -1.08 -0.9766 -0.871 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P20 mock treatment 3.7737 -0.453 -0.43 3.3119 -1.09 -0.97 -0.9903 -0.9325 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P21 mock treatment 3.1429 -1.08 -1.03 3.0008 -1.4 -1.25 -1.6088 -0.9952 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P22 mock treatment 3.6986 -0.528 -0.5 3.118 -1.28 -1.14 -1.1629 -0.9311 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P23 mock treatment 3.5928 -0.634 -0.6 3.083 -1.32 -1.18 -1.2558 -0.9513 1026.0010 Calc(E1/E2)(1026.0010) FacioscapulohumeralMD 1026.0010.Bas2 P24 mock treatment 3.3152 -0.912 -0.86 3.0938 -1.31 -1.17 -1.4348 -0.989