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 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A01 compound treatment 180.0 -323.0 -0.72 1180.0 617.0 1.58 0.6145 0.3534 1727701 CBDivE_001281 Clc1ccc(cc1)C(=O)NCc2ccccn2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A02 compound treatment 100.0 -403.0 -0.89 1760.0 1200.0 3.07 1.5427 0.4819 1172968 CBDivE_001282 Brc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A03 compound treatment 220.0 -283.0 -0.63 1500.0 937.0 2.41 1.2584 0.506 1913201 CBDivE_001283 OC(=O)c1ccccc1C(=O)Nc2ccncc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A04 compound treatment 520.0 16.9 0.04 1340.0 777.0 2.0 1.4375 0.7202 1913202 CBDivE_001284 O=C(NC(Sc1ccccc1)C(=O)c2ccccc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A05 compound treatment 320.0 -183.0 -0.41 1200.0 637.0 1.64 0.8701 0.5162 1913203 CBDivE_001285 OC(=O)c1cc(cc([N+](=O)[O-])c1N2CCCC2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A06 compound treatment 420.0 -83.1 -0.18 1180.0 617.0 1.58 0.9903 0.6208 1913204 CBDivE_001286 OC(=O)/C=C/c1ccc(o1)c2ccc(Br)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A07 compound treatment 320.0 -183.0 -0.41 880.0 317.0 0.81 0.2888 0.3176 1913205 CBDivE_001287 OC(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A08 compound treatment 680.0 177.0 0.39 900.0 337.0 0.87 0.8889 0.9358 1913206 CBDivE_001288 OC(=O)c1ccc(/N=C/c2ccc(O)cc2O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A09 compound treatment 520.0 16.9 0.04 640.0 76.9 0.2 0.1661 0.8262 1111875 CBDivE_001289 Brc1ccc(cc1)C(=O)COC(=O)C(c2ccccc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A10 compound treatment 240.0 -263.0 -0.58 1400.0 837.0 2.15 1.1081 0.4975 1913207 CBDivE_001290 Oc1ccc(/C=N/c2ccc(cc2)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A11 compound treatment 640.0 137.0 0.3 1060.0 497.0 1.28 1.1169 0.8513 1318626 CBDivE_001291 OC(=O)CCC(=O)Nc1ccc(Br)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A12 compound treatment 700.0 197.0 0.44 1220.0 657.0 1.69 1.5014 0.8615 1913208 CBDivE_001292 Oc1ccc(/C=N/c2cccc(c2)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A13 compound treatment 640.0 137.0 0.3 1820.0 1260.0 3.23 2.4973 0.7701 1398190 CBDivE_001293 CCOC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A14 compound treatment 740.0 237.0 0.52 960.0 397.0 1.02 1.0918 0.9523 1913209 CBDivE_001294 COc1ccc(/N=C/c2ccc(O)cc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A15 compound treatment 640.0 137.0 0.3 1020.0 457.0 1.17 1.0442 0.8615 1011962 CBDivE_001295 OC(=O)CCC(=O)Nc1ccc2ccccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A16 compound treatment 640.0 137.0 0.3 820.0 257.0 0.66 0.6809 0.9377 1913210 CBDivE_001296 COc1ccc(/N=C/c2cccc(c2)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A17 compound treatment 460.0 -43.1 -0.1 1340.0 777.0 2.0 1.3436 0.6725 1913211 CBDivE_001297 OC(=O)/C=C\C(=O)Nc1ccc2ccccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A18 compound treatment 360.0 -143.0 -0.32 820.0 257.0 0.66 0.2425 0.3313 1913212 CBDivE_001298 COc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A19 compound treatment 420.0 -83.1 -0.18 1180.0 617.0 1.58 0.9903 0.6208 1913213 CBDivE_001299 OC(=O)/C=C\C(=O)Nc1ccc(Br)cc1C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A20 compound treatment 400.0 -103.0 -0.23 520.0 -43.1 -0.11 -0.2398 -0.9448 1913214 CBDivE_001300 OCCc1ccc(/N=C/c2ccc(O)cc2O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A21 mock treatment 580.0 76.9 0.17 1100.0 537.0 1.38 1.0956 0.7884 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A22 mock treatment 540.0 36.9 0.08 1060.0 497.0 1.28 0.9603 0.7508 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A23 mock treatment 400.0 -103.0 -0.23 1020.0 457.0 1.17 0.6684 0.559 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 A24 mock treatment 340.0 -163.0 -0.36 1100.0 537.0 1.38 0.7198 0.5049 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B01 compound treatment 200.0 -303.0 -0.67 880.0 317.0 0.81 0.1009 0.0957 1625427 CBDivE_001301 CN1C2C=CC(C3C2C(=O)N(Cc4ccccc4)C3=O)C1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B02 compound treatment 240.0 -263.0 -0.58 1440.0 877.0 2.25 1.1807 0.5075 1269401 CBDivE_001302 COc1ccccc1C(=O)Nc2ccccc2C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B03 compound treatment 440.0 -63.1 -0.14 1440.0 877.0 2.25 1.4939 0.662 1913215 CBDivE_001303 [O-][N+](=O)c1cccc(c1)C(=O)c2ccc3C(=O)OC(=O)c3c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B04 compound treatment 680.0 177.0 0.39 1220.0 657.0 1.69 1.4701 0.8487 1913216 CBDivE_001304 OC(=O)c1ccccc1NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B05 compound treatment 560.0 56.9 0.13 1200.0 637.0 1.64 1.2459 0.7593 1084629 CBDivE_001305 OC(=O)c1ccc(cc1)C(=O)c2ccc(cc2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B06 compound treatment 460.0 -43.1 -0.1 1380.0 817.0 2.1 1.4162 0.6742 1774445 CBDivE_001306 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc2cccc(c2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B07 compound treatment 740.0 237.0 0.52 1660.0 1100.0 2.82 2.3632 0.8246 1073911 CBDivE_001307 OC(=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B08 compound treatment 680.0 177.0 0.39 1280.0 717.0 1.84 1.5791 0.8387 1913217 CBDivE_001308 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc2cccc(N)c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B09 compound treatment 580.0 76.9 0.17 1200.0 637.0 1.64 1.2772 0.7765 1913218 CBDivE_001309 O=C1OC(=O)c2cc(Oc3cccc(Oc4ccc5C(=O)OC(=O)c5c4)c3)ccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B10 compound treatment 960.0 457.0 1.01 720.0 157.0 0.4 1.0004 0.9186 1913219 CBDivE_001310 C/C(=N\OCO\N=C(\C)/c1ccc(cc1)[N+](=O)[O-])/c2ccc(cc2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B11 compound treatment 1180.0 677.0 1.5 1020.0 457.0 1.17 1.8898 0.9927 1333910 CBDivE_001311 Nc1ccc(Oc2ccc(cc2)C(=O)O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B12 compound treatment 1160.0 657.0 1.45 700.0 137.0 0.35 1.2772 0.8535 1729986 CBDivE_001312 Cc1ccccc1NC(=O)COc2ccccc2C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B13 compound treatment 740.0 237.0 0.52 1280.0 717.0 1.84 1.673 0.8738 1774924 CBDivE_001313 OC(=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B14 compound treatment 880.0 377.0 0.83 1080.0 517.0 1.33 1.529 0.975 1913220 CBDivE_001314 Cc1ccccc1OCC(=O)Nc2ccc(cc2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B15 compound treatment 720.0 217.0 0.48 220.0 -343.0 -0.88 -0.2836 -0.2826 1913221 CBDivE_001315 Cc1ccc(Oc2cccc(c2)[N+](=O)[O-])cc1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B16 compound treatment 520.0 16.9 0.04 760.0 197.0 0.51 0.3841 0.7573 1913222 CBDivE_001316 Cc1ccccc1OCC(=O)Nc2cccc(c2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B17 compound treatment 320.0 -183.0 -0.41 1540.0 977.0 2.51 1.4876 0.5852 1913223 CBDivE_001317 CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B18 compound treatment 520.0 16.9 0.04 960.0 397.0 1.02 0.7473 0.7325 1152000 CBDivE_001318 Cc1ccccc1OCC(=O)Nc2cccc(c2)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B19 compound treatment 420.0 -83.1 -0.18 1280.0 717.0 1.84 1.172 0.6333 1913224 CBDivE_001319 O=C1OC(=O)c2cc(Oc3ccc(cc3)S(=O)(=O)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4)ccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B20 compound treatment 1060.0 557.0 1.23 760.0 197.0 0.51 1.2296 0.9225 1558037 CBDivE_001320 Cc1ccccc1OCC(=O)Nc2ccccc2C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B21 mock treatment 700.0 197.0 0.44 1140.0 577.0 1.48 1.3561 0.8779 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B22 mock treatment 420.0 -83.1 -0.18 1300.0 737.0 1.89 1.2083 0.6353 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B23 mock treatment 420.0 -83.1 -0.18 1040.0 477.0 1.22 0.736 0.5942 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 B24 mock treatment 500.0 -3.13 -0.01 1100.0 537.0 1.38 0.9703 0.7035 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C01 compound treatment 220.0 -283.0 -0.63 800.0 237.0 0.61 -0.013 -0.0149 1913225 CBDivE_001321 OC(=O)/C=C\C(=O)Nc1ccc(cc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C02 compound treatment 360.0 -143.0 -0.32 960.0 397.0 1.02 0.4968 0.4653 1913226 CBDivE_001322 OCCc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C03 compound treatment 320.0 -183.0 -0.41 1160.0 597.0 1.53 0.7974 0.5028 1347120 CBDivE_001323 OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C04 compound treatment 380.0 -123.0 -0.27 1120.0 557.0 1.43 0.8187 0.5622 1913227 CBDivE_001324 Oc1ccccc1/N=C/c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C05 compound treatment 440.0 -63.1 -0.14 1320.0 757.0 1.94 1.2759 0.6546 1316843 CBDivE_001325 CC(NC(=O)c1ccc(cc1)C(=O)NC(C)c2ccccc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C06 compound treatment 500.0 -3.13 -0.01 700.0 137.0 0.35 0.2438 0.6931 1913228 CBDivE_001326 Oc1ccc(/C=N/c2ccccc2O)c(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C07 compound treatment 960.0 457.0 1.01 1080.0 517.0 1.33 1.6542 0.991 1913229 CBDivE_001327 COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C08 compound treatment 740.0 237.0 0.52 840.0 277.0 0.71 0.8738 0.9888 1913230 CBDivE_001328 Oc1ccc2ccccc2c1/C=N/c3ccccc3O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C09 compound treatment 640.0 137.0 0.3 700.0 137.0 0.35 0.463 0.9973 1081835 CBDivE_001329 NC(=O)COc1ccc(Br)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C10 compound treatment 680.0 177.0 0.39 1180.0 617.0 1.58 1.3974 0.8561 1913231 CBDivE_001330 OC(=O)CCN1C(=O)c2cccc3cccc(C1=O)c23 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C11 compound treatment 780.0 277.0 0.61 820.0 257.0 0.66 0.9002 0.9993 1049682 CBDivE_001331 Oc1ccc(N=Nc2ccccn2)c(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C12 compound treatment 1140.0 637.0 1.41 860.0 297.0 0.76 1.5365 0.9583 1913232 CBDivE_001332 OC(=O)CN1C(=O)/C(=C\Nc2ccccc2)/SC1=S 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C13 compound treatment 720.0 217.0 0.48 900.0 337.0 0.87 0.9515 0.9614 1913233 CBDivE_001333 c1nc(oc1c2ccccc2)c3ccc(cc3)c4cnc(o4)c5ccccc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C14 compound treatment 480.0 -23.1 -0.05 1140.0 577.0 1.48 1.0116 0.6823 1230247 CBDivE_001334 Nc1cc(ccc1Nc2ccccc2)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C15 compound treatment 500.0 -3.13 -0.01 880.0 317.0 0.81 0.5707 0.7011 1913234 CBDivE_001335 [O-][N+](=O)c1ccc(cc1)N2N=C(/C(=C\c3ccc(Br)cc3)/C2=O)c4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C16 compound treatment 540.0 36.9 0.08 980.0 417.0 1.07 0.815 0.7588 3003634 CBDivE_001336 CCN1/C(=C/c2sc3ccc(O)cc3[n+]2CC)/C=Cc4ccccc14.Cc1ccc(cc1)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C17 compound treatment 640.0 137.0 0.3 580.0 16.9 0.04 0.245 0.8002 1913236 CBDivE_001337 [O-][N+](=O)c1ccc(cc1)N2N=C(/C(=C\c3ccccc3F)/C2=O)c4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C18 compound treatment 500.0 -3.13 -0.01 640.0 76.9 0.2 0.1348 0.6819 1913237 CBDivE_001338 CCO/C(=C/c1sc2ccccc2[n+]1CCCS(=O)(=O)O)/C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C19 compound treatment 540.0 36.9 0.08 780.0 217.0 0.56 0.4517 0.8022 1913238 CBDivE_001339 COc1ccc(/C=C\2/C(=O)N(N=C2c3ccccc3)c4ccc(cc4)[N+](=O)[O-])cc1OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C20 compound treatment 380.0 -123.0 -0.27 820.0 257.0 0.66 0.2738 0.3835 3105836 CBDivE_001340 CCn1c(/C=C/C=C/2\SCCN2C)[n+](CC)c3cc(Cl)ccc13.Cc1ccc(cc1)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C21 mock treatment 340.0 -163.0 -0.36 440.0 -123.0 -0.32 -0.479 -0.9978 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C22 mock treatment 640.0 137.0 0.3 640.0 76.9 0.2 0.354 0.9785 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C23 mock treatment 520.0 16.9 0.04 780.0 217.0 0.56 0.4204 0.7528 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 C24 mock treatment 440.0 -63.1 -0.14 720.0 157.0 0.4 0.1861 0.4363 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D01 compound treatment 320.0 -183.0 -0.41 680.0 117.0 0.3 -0.0744 -0.1475 1715893 CBDivE_001341 Cc1ccccc1OCC(=O)Nc2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D02 compound treatment 560.0 56.9 0.13 640.0 76.9 0.2 0.2287 0.9764 1579970 CBDivE_001342 Cc1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D03 compound treatment 440.0 -63.1 -0.14 960.0 397.0 1.02 0.6221 0.6045 1125894 CBDivE_001343 Nc1cccc(c1)C(=O)Oc2cccc(OC(=O)c3cccc(N)c3)c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D04 compound treatment 800.0 297.0 0.66 840.0 277.0 0.71 0.9678 0.9992 1913240 CBDivE_001344 [O-][N+](=O)c1cccc(c1)C(=O)Nc2nc[nH]n2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D05 compound treatment 840.0 337.0 0.75 700.0 137.0 0.35 0.7761 0.9411 1913241 CBDivE_001345 [O-][N+](=O)c1ccc(Oc2ccc3c(=O)c(=O)c4cccc2c43)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D06 compound treatment 880.0 377.0 0.83 1200.0 637.0 1.64 1.7469 0.9512 1913242 CBDivE_001346 OC(=O)c1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D07 compound treatment 700.0 197.0 0.44 1460.0 897.0 2.3 1.9373 0.8263 1619611 CBDivE_001347 Cc1cc(OC(=O)c2ccc(N)cc2)cc(OC(=O)c3ccc(N)cc3)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D08 compound treatment 780.0 277.0 0.61 780.0 217.0 0.56 0.8275 0.9989 1913243 CBDivE_001348 OC(=O)c1cccc(NCN2C(=O)c3ccc(Br)cc3C2=O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D09 compound treatment 960.0 457.0 1.01 800.0 237.0 0.61 1.1457 0.9704 1332763 CBDivE_001349 Cc1cc(OC(=O)c2cccc(N)c2)cc(OC(=O)c3cccc(N)c3)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D10 compound treatment 1220.0 717.0 1.59 840.0 277.0 0.71 1.6254 0.9344 1228614 CBDivE_001350 Oc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D11 compound treatment 760.0 257.0 0.57 880.0 317.0 0.81 0.9778 0.9846 1913244 CBDivE_001351 Nc1ccc(cc1)C(=O)Oc2ccccc2c3ccccc3OC(=O)c4ccc(N)cc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D12 compound treatment 960.0 457.0 1.01 1020.0 457.0 1.17 1.5453 0.9973 1288008 CBDivE_001352 O=C1N(CNc2ccc(OCc3ccccc3)cc2)C(=O)c4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D13 compound treatment 1180.0 677.0 1.5 660.0 96.9 0.25 1.2359 0.8134 1575815 CBDivE_001353 Nc1cccc(c1)C(=O)Oc2ccc(cc2)c3ccc(OC(=O)c4cccc(N)c4)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D14 compound treatment 780.0 277.0 0.61 760.0 197.0 0.51 0.7912 0.9954 1653424 CBDivE_001354 O=C1N(CNc2ccc(Oc3ccccc3)cc2)C(=O)c4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D15 compound treatment 800.0 297.0 0.66 540.0 -23.1 -0.06 0.4229 0.6407 1480672 CBDivE_001355 CC(C)(c1ccc(OC(=O)c2ccc(N)cc2)cc1)c3ccc(OC(=O)c4ccc(N)cc4)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D16 compound treatment 640.0 137.0 0.3 800.0 237.0 0.61 0.6446 0.9482 1575616 CBDivE_001356 OC(=O)c1ccccc1NCN2C(=O)c3ccccc3C2=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D17 compound treatment 540.0 36.9 0.08 560.0 -3.1 -0.01 0.0521 0.6351 1913245 CBDivE_001357 [O-][N+](=O)c1ccccc1N2C(=O)C3C(C4c5ccccc5C3c6ccccc46)C2=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D18 compound treatment 560.0 56.9 0.13 580.0 16.9 0.04 0.1197 0.8989 1913246 CBDivE_001358 O=C1N(CNc2ccc3ccccc3c2)C(=O)c4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D19 compound treatment 800.0 297.0 0.66 580.0 16.9 0.04 0.4955 0.7522 1913247 CBDivE_001359 Nc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2Cc4c(OC(=O)c5ccc(N)cc5)ccc6ccccc46 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D20 compound treatment 320.0 -183.0 -0.41 640.0 76.9 0.2 -0.1471 -0.3261 1913248 CBDivE_001360 COc1ccc(NCN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D21 mock treatment 520.0 16.9 0.04 1160.0 597.0 1.53 1.1106 0.7241 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D22 mock treatment 480.0 -23.1 -0.05 1020.0 457.0 1.17 0.7937 0.6756 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D23 mock treatment 340.0 -163.0 -0.36 1060.0 497.0 1.28 0.6471 0.4878 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 D24 mock treatment 700.0 197.0 0.44 820.0 257.0 0.66 0.7749 0.9798 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E01 compound treatment 320.0 -183.0 -0.41 680.0 117.0 0.3 -0.0744 -0.1475 1913249 CBDivE_001361 CN(C)c1ccc(/C=C\2/C(=O)N(N=C2c3ccccc3)c4ccc(Br)cc4)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E02 compound treatment 1360.0 857.0 1.9 740.0 177.0 0.45 1.663 0.8523 3105877 CBDivE_001362 C/C(=C\c1sc2ccccc2[n+]1CCO)/C=C/3\Sc4ccccc4N3CCO.Cc1ccc(cc1)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E03 compound treatment 1200.0 697.0 1.54 340.0 -223.0 -0.57 0.686 0.4167 1913251 CBDivE_001363 CN(C)c1ccc(/C=C\2/C(=O)N(N=C2c3ccccc3)c4ccc(cc4)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E04 compound treatment 960.0 457.0 1.01 740.0 177.0 0.45 1.0367 0.9347 1913252 CBDivE_001364 OC(=O)CN1C(=O)S/C(=C\C=C/2\SCCN2CCCS(=O)(=O)O)/C1=S 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E05 compound treatment 640.0 137.0 0.3 640.0 76.9 0.2 0.354 0.9785 1913253 CBDivE_001365 Cc1cc(=O)n(c(=O)[nH]1)C(C)(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E06 compound treatment 520.0 16.9 0.04 640.0 76.9 0.2 0.1661 0.8262 1913254 CBDivE_001366 OC(=O)CN1C(=O)/C(=C\c2cccc(O)c2)/SC1=S 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E07 compound treatment 1520.0 1020.0 2.25 660.0 96.9 0.25 1.7683 0.7805 1913255 CBDivE_001367 COc1ccc(OC)c(c1)C(C2C(=O)CC(C)(C)CC2=O)C3=C(O)CC(C)(C)CC3=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E08 compound treatment 1860.0 1360.0 3.0 580.0 16.9 0.04 2.1553 0.7172 1913256 CBDivE_001368 OC(=O)CN1C(=O)/C(=C\c2cccc(c2)[N+](=O)[O-])/SC1=S 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E09 compound treatment 1920.0 1420.0 3.14 540.0 -23.1 -0.06 2.1766 0.6936 1913257 CBDivE_001369 OC(=O)CSC/1CCCC\C1=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E10 compound treatment 980.0 477.0 1.06 560.0 -3.1 -0.01 0.7411 0.7017 1913258 CBDivE_001370 OC(=O)CN1C(=O)/C(=C\c2ccc(cc2)[N+](=O)[O-])/SC1=S 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E11 compound treatment 880.0 377.0 0.83 580.0 16.9 0.04 0.6208 0.7429 1913259 CBDivE_001371 C[C@H](NC(=O)CCl)c1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E12 compound treatment 960.0 457.0 1.01 1060.0 497.0 1.28 1.6179 0.9934 1913260 CBDivE_001372 CCN1/C(=C\2/SC(=S)N(CC(=O)O)C2=O)/C=Cc3cc(OC)ccc13 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E13 compound treatment 760.0 257.0 0.57 880.0 317.0 0.81 0.9778 0.9846 3003680 CBDivE_001373 CC1(C)Cc2nc3ccccc3c(NCc4ccccc4)c2C=C1.OC(=O)c1ccccc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E14 compound treatment 540.0 36.9 0.08 320.0 -243.0 -0.62 -0.3838 -0.6095 1913261 CBDivE_001374 OS(=O)(=O)CCCN1/C(=C\2/SC(=S)N(C2=O)c3ccccc3)/Sc4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E15 compound treatment 340.0 -163.0 -0.36 540.0 -23.1 -0.06 -0.2974 -0.8124 1645058 CBDivE_001375 CN1CCC2=C(C1)C(=O)NC3(CCCCC3)N2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E16 compound treatment 720.0 217.0 0.48 640.0 76.9 0.2 0.4793 0.9229 1913262 CBDivE_001376 CCN1/C(=C\2/SC(=S)N(CC(=O)O)C2=O)/C=Cc3cc(C)ccc13 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E17 compound treatment 480.0 -23.1 -0.05 500.0 -63.1 -0.16 -0.1508 -0.8873 1913263 CBDivE_001377 CCC1(CC)C(=N)N(C)C(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E18 compound treatment 580.0 76.9 0.17 500.0 -63.1 -0.16 0.0058 0.0245 1913264 CBDivE_001378 CCN1/C(=C\2/SC(=S)N(CC(=O)O)C2=O)/C=Cc3ccccc13 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E19 compound treatment 420.0 -83.1 -0.18 360.0 -203.0 -0.52 -0.4991 -0.9021 1913265 CBDivE_001379 CCCCN1C(=N)C(CC)(CC)C(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E20 compound treatment 520.0 16.9 0.04 420.0 -143.0 -0.37 -0.2335 -0.632 1913266 CBDivE_001380 OC(=O)CN1C(=O)/C(=C\2/Sc3ccccc3N2CCCS(=O)(=O)O)/SC1=S 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E21 mock treatment 320.0 -183.0 -0.41 520.0 -43.1 -0.11 -0.365 -0.8684 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E22 mock treatment 340.0 -163.0 -0.36 720.0 157.0 0.4 0.0295 0.0546 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E23 mock treatment 680.0 177.0 0.39 840.0 277.0 0.71 0.7799 0.9605 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 E24 mock treatment 260.0 -243.0 -0.54 340.0 -223.0 -0.57 -0.7859 -0.9995 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F01 compound treatment 560.0 56.9 0.13 540.0 -23.1 -0.06 0.0471 0.3382 1390935 CBDivE_001381 OC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F02 compound treatment 800.0 297.0 0.66 320.0 -243.0 -0.62 0.0233 0.0257 1774441 CBDivE_001382 [O-][N+](=O)c1ccc2C(=O)N(CNc3ccc(OCc4ccccc4)cc3)C(=O)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F03 compound treatment 2040.0 1540.0 3.4 640.0 76.9 0.2 2.5462 0.7469 1913267 CBDivE_001383 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F04 compound treatment 1100.0 597.0 1.32 460.0 -103.0 -0.26 0.7473 0.5544 1774382 CBDivE_001384 OC(=O)c1cccc(NCN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F05 compound treatment 720.0 217.0 0.48 700.0 137.0 0.35 0.5882 0.9883 1326171 CBDivE_001385 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc4ccccc4c3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F06 compound treatment 1280.0 777.0 1.72 500.0 -63.1 -0.16 1.1018 0.6377 1913268 CBDivE_001386 Brc1ccc2C(=O)N(CNc3ccc4c(c3)oc5ccccc54)C(=O)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F07 compound treatment 1340.0 837.0 1.85 640.0 76.9 0.2 1.4501 0.7781 1774415 CBDivE_001387 CN1C(=O)c2ccc(cc2C1=O)N3C(=O)c4ccc(cc4C3=O)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F08 compound treatment 1860.0 1360.0 3.0 520.0 -43.1 -0.11 2.0464 0.6806 1253218 CBDivE_001388 COc1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F09 compound treatment 1740.0 1240.0 2.74 780.0 217.0 0.56 2.3307 0.8339 1248808 CBDivE_001389 OC(=O)c1ccc(Oc2ccc(cc2)C(=O)c3ccc(cc3)C(=O)O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F10 compound treatment 1000.0 497.0 1.1 540.0 -23.1 -0.06 0.7361 0.668 1913269 CBDivE_001390 Cc1ccc(C)n1c2ccc(Oc3ccccc3)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F11 compound treatment 680.0 177.0 0.39 820.0 257.0 0.66 0.7436 0.969 1130767 CBDivE_001391 OC(=O)c1ccc(Oc2ccc(cc2)C(=O)c3ccccc3)cc1C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F12 compound treatment 640.0 137.0 0.3 480.0 -83.1 -0.21 0.0634 0.171 1774711 CBDivE_001392 Cc1ccc(C)n1c2ccc(Oc3ccc(cc3)n4c(C)ccc4C)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F13 compound treatment 660.0 157.0 0.35 640.0 76.9 0.2 0.3853 0.9642 1489599 CBDivE_001393 O=C(Oc1ccccc1)c2ccc(Oc3ccc(cc3)C(=O)Oc4ccccc4)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F14 compound treatment 540.0 36.9 0.08 260.0 -303.0 -0.78 -0.4928 -0.6295 1774386 CBDivE_001394 Cc1ccc(C)n1c2ccc(Oc3cccc(Oc4ccc(cc4)n5c(C)ccc5C)c3)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F15 compound treatment 400.0 -103.0 -0.23 460.0 -103.0 -0.26 -0.3487 -0.9973 1343270 CBDivE_001395 OC(=O)c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)O)c(c3)C(=O)O)cc2)c(c1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F16 compound treatment 680.0 177.0 0.39 480.0 -83.1 -0.21 0.126 0.2825 1913270 CBDivE_001396 C[C@H]1CCC/C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/[C@H]1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F17 compound treatment 720.0 217.0 0.48 180.0 -383.0 -0.98 -0.3563 -0.3253 1457262 CBDivE_001397 Cc1ccc(cc1C)C(=O)c2ccc(Oc3ccccc3)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F18 compound treatment 520.0 16.9 0.04 500.0 -63.1 -0.16 -0.0882 -0.5302 1075921 CBDivE_001398 COc1ccc(NC(=O)c2cccc(c2)C(=O)Nc3ccc(OC)cc3)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F19 compound treatment 500.0 -3.13 -0.01 440.0 -123.0 -0.32 -0.2285 -0.7224 1913271 CBDivE_001399 Clc1ccc(cc1Cl)N2C(=O)C3C(N4C5C(C(N4C3C2=O)c6ccccc6)C(=O)N(C5=O)c7ccc(Cl)c(Cl)c7)c8ccccc8 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F20 compound treatment 460.0 -43.1 -0.1 380.0 -183.0 -0.47 -0.4001 -0.8337 1913272 CBDivE_001400 CN(C)c1nc(NC(=O)Nc2cccc3ccccc23)nc(/C=C/c4ccco4)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F21 mock treatment 440.0 -63.1 -0.14 440.0 -123.0 -0.32 -0.3224 -0.9326 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F22 mock treatment 640.0 137.0 0.3 900.0 337.0 0.87 0.8262 0.9011 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F23 mock treatment 340.0 -163.0 -0.36 540.0 -23.1 -0.06 -0.2974 -0.8124 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 F24 mock treatment 360.0 -143.0 -0.32 700.0 137.0 0.35 0.0245 0.0518 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G01 compound treatment 700.0 197.0 0.44 320.0 -243.0 -0.62 -0.1333 -0.175 1913265 CBDivE_001401 CCCCN1C(=N)C(CC)(CC)C(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G02 compound treatment 980.0 477.0 1.06 220.0 -343.0 -0.88 0.1235 0.0898 1913273 CBDivE_001402 CCN1/C(=C\C=C\2/SC(=S)N(C2=O)c3ccccc3)/SC(=C1c4ccccc4)c5ccccc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G03 compound treatment 800.0 297.0 0.66 240.0 -323.0 -0.83 -0.122 -0.1152 1913274 CBDivE_001403 CCC(C)C1(CC)C(=N)NC(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G04 compound treatment 680.0 177.0 0.39 260.0 -303.0 -0.78 -0.2736 -0.3139 1913275 CBDivE_001404 O=C/1N(Cc2ccccc2)C(=S)S\C1=C\Nc3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G05 compound treatment 740.0 237.0 0.52 260.0 -303.0 -0.78 -0.1796 -0.1913 1913276 CBDivE_001405 CCCCC1(CC)C(=N)NC(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G06 compound treatment 640.0 137.0 0.3 260.0 -303.0 -0.78 -0.3362 -0.4024 1913277 CBDivE_001406 O=C/1N(Cc2ccccc2)C(=S)S\C1=C\C=C\C=C\Nc3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G07 compound treatment 1280.0 777.0 1.72 480.0 -83.1 -0.21 1.0655 0.6147 1913278 CBDivE_001407 CCCC(C)C1(CC)C(=N)NC(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G08 compound treatment 1680.0 1180.0 2.61 140.0 -423.0 -1.09 1.0743 0.3805 1913279 CBDivE_001408 CC(=O)N(/C=C/C=C/C=C\1/SC(=S)N(C1=O)c2ccccc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G09 compound treatment 1320.0 817.0 1.81 320.0 -243.0 -0.62 0.8375 0.4377 1913280 CBDivE_001409 CCCC1(CCC)C(=N)NC(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G10 compound treatment 740.0 237.0 0.52 240.0 -323.0 -0.83 -0.216 -0.22 1913281 CBDivE_001410 CN(N=c1c(=O)c2ccccc2c1=O)C(=N)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G11 compound treatment 640.0 137.0 0.3 340.0 -223.0 -0.57 -0.1909 -0.2945 1913282 CBDivE_001411 CCCCC1(CCCC)C(=N)NC(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G12 compound treatment 640.0 137.0 0.3 260.0 -303.0 -0.78 -0.3362 -0.4024 1913283 CBDivE_001412 Clc1cccc(c1)N(Cc2ccc(Cl)cc2Cl)C(=O)c3ccc(Cl)cc3Cl 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G13 compound treatment 360.0 -143.0 -0.32 260.0 -303.0 -0.78 -0.7746 -0.9215 1913284 CBDivE_001413 CCC1(CC)C(=O)NC(=NCc2ccccc2)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G14 compound treatment 440.0 -63.1 -0.14 340.0 -223.0 -0.57 -0.5041 -0.8545 1913285 CBDivE_001414 Clc1ccc(cc1)C(=O)N(Cc2ccc(Cl)cc2Cl)c3cccc(Cl)c3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G15 compound treatment 360.0 -143.0 -0.32 320.0 -243.0 -0.62 -0.6657 -0.9506 1114595 CBDivE_001415 CCC1(CC)C(=O)NC(=S)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G16 compound treatment 420.0 -83.1 -0.18 380.0 -183.0 -0.47 -0.4627 -0.9162 1913286 CBDivE_001416 Cc1nonc1N=c2c(=O)c3ccccc3c2=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G17 compound treatment 240.0 -263.0 -0.58 260.0 -303.0 -0.78 -0.9625 -0.9898 1030417 CBDivE_001417 CCC1(CC)C(=N)NC(=S)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G18 compound treatment 560.0 56.9 0.13 220.0 -343.0 -0.88 -0.5341 -0.6 1913287 CBDivE_001418 C/C(=N\NC(=O)COc1ccc2ccccc2c1)/c3ccc(Cl)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G19 compound treatment 640.0 137.0 0.3 220.0 -343.0 -0.88 -0.4089 -0.4387 1913288 CBDivE_001419 FC(F)(F)C(=O)c1c[nH]c2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G20 compound treatment 560.0 56.9 0.13 320.0 -243.0 -0.62 -0.3525 -0.5533 1913289 CBDivE_001420 CC(C)c1ccc(cc1)/C(=N/NC(=O)COc2ccc3ccccc3c2)/C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G21 mock treatment 800.0 297.0 0.66 180.0 -383.0 -0.98 -0.231 -0.1952 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G22 mock treatment 540.0 36.9 0.08 160.0 -403.0 -1.04 -0.6744 -0.6493 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G23 mock treatment 640.0 137.0 0.3 320.0 -243.0 -0.62 -0.2272 -0.3274 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 G24 mock treatment 580.0 76.9 0.17 320.0 -243.0 -0.62 -0.3212 -0.4962 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H01 compound treatment 840.0 337.0 0.75 320.0 -243.0 -0.62 0.0859 0.0883 1048033 CBDivE_001421 OC(=O)c1cccc(NC(=O)c2ccccc2)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H02 compound treatment 1200.0 697.0 1.54 220.0 -343.0 -0.88 0.468 0.2633 1913290 CBDivE_001422 CC1(C)CC(CC(C)(C)N1)/N=C/c2c[nH]c3ccccc23 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H03 compound treatment 760.0 257.0 0.57 220.0 -343.0 -0.88 -0.221 -0.2107 1052670 CBDivE_001423 CN(c1ccccc1N(C)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H04 compound treatment 520.0 16.9 0.04 340.0 -223.0 -0.57 -0.3788 -0.6596 1913291 CBDivE_001424 O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc3cccc4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H05 compound treatment 1080.0 577.0 1.28 1180.0 617.0 1.58 2.0238 0.9943 1913292 CBDivE_001425 COc1ccc(cc1)C(=C(C)C)OC(=O)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H06 compound treatment 1220.0 717.0 1.59 260.0 -303.0 -0.78 0.572 0.3235 1913293 CBDivE_001426 CC(C)(C)c1cc(/C=N/C2CC(C)(C)NC(C)(C)C2)cc(c1O)C(C)(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H07 compound treatment 1840.0 1340.0 2.96 320.0 -243.0 -0.62 1.6518 0.5459 1409129 CBDivE_001427 Cc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H08 compound treatment 1620.0 1120.0 2.47 240.0 -323.0 -0.83 1.162 0.4454 1913294 CBDivE_001428 Oc1cc(O)nc(/N=C/2\C(=O)Nc3ccccc23)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H09 compound treatment 1280.0 777.0 1.72 260.0 -303.0 -0.78 0.6659 0.3527 1014454 CBDivE_001429 O=c1oc(nc2ccccc12)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H10 compound treatment 1160.0 657.0 1.45 160.0 -403.0 -1.04 0.2964 0.166 1054138 CBDivE_001430 Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H11 compound treatment 500.0 -3.13 -0.01 340.0 -223.0 -0.57 -0.4101 -0.7156 1913295 CBDivE_001431 Nc1ccc(cc1)C(=O)/C=C/c2cccc(c2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H12 compound treatment 400.0 -103.0 -0.23 740.0 177.0 0.45 0.1598 0.3143 1913296 CBDivE_001432 S(c1nc2ccccc2s1)c3nc(Sc4nc5ccccc5s4)nc(Sc6nc7ccccc7s6)n3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H13 compound treatment 400.0 -103.0 -0.23 320.0 -243.0 -0.62 -0.603 -0.907 1913297 CBDivE_001433 [O-][N+](=O)c1ccc(Oc2ccc(cc2)C3(c4ccccc4-c5ccccc53)c6ccc(Oc7ccc(cc7)[N+](=O)[O-])cc6)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H14 compound treatment 640.0 137.0 0.3 220.0 -343.0 -0.88 -0.4089 -0.4387 1913298 CBDivE_001434 CC(C)(C)c1cc(/C=N/N=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H15 compound treatment 640.0 137.0 0.3 380.0 -183.0 -0.47 -0.1183 -0.2113 1913299 CBDivE_001435 COc1ccccc1OC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H16 compound treatment 360.0 -143.0 -0.32 400.0 -163.0 -0.42 -0.5204 -0.9905 1183356 CBDivE_001436 COC(=O)C(c1ccccc1)C2(O)CC(C)N(C)CC2C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H17 compound treatment 520.0 16.9 0.04 260.0 -303.0 -0.78 -0.5241 -0.6724 1913300 CBDivE_001437 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Oc2ccc(cc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H18 compound treatment 700.0 197.0 0.44 360.0 -203.0 -0.52 -0.0606 -0.0892 1913301 CBDivE_001438 CCOC(=O)c1c(C)nc2c3ccccc3oc(=N)c2c1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H19 compound treatment 340.0 -163.0 -0.36 140.0 -423.0 -1.09 -1.0239 -0.894 1913302 CBDivE_001439 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Oc2ccc3ccccc3c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H20 compound treatment 320.0 -183.0 -0.41 660.0 96.9 0.25 -0.1107 -0.2328 1324852 CBDivE_001440 CC1CC(O)(Cc2ccc(C)cc2)C(C)CN1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H21 mock treatment 480.0 -23.1 -0.05 320.0 -243.0 -0.62 -0.4778 -0.7625 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H22 mock treatment 500.0 -3.13 -0.01 360.0 -203.0 -0.52 -0.3738 -0.7164 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H23 mock treatment 580.0 76.9 0.17 480.0 -83.1 -0.21 -0.0306 -0.112 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 H24 mock treatment 500.0 -3.13 -0.01 240.0 -323.0 -0.83 -0.5918 -0.713 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I01 compound treatment 1920.0 1420.0 3.14 180.0 -383.0 -0.98 1.5228 0.4631 3105917 CBDivE_001441 Nc1c2CCCc2nc3CCCc31.OC(=O)c1cncc(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I02 compound treatment 880.0 377.0 0.83 320.0 -243.0 -0.62 0.1486 0.1425 1913303 CBDivE_001442 C/C(=N\NC(=O)COc1ccc2ccccc2c1)/c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I03 compound treatment 1460.0 957.0 2.12 240.0 -323.0 -0.83 0.9114 0.4005 3003681 CBDivE_001443 Nc1c2CCCc2nc3CCCCc13.OC(=O)c1cncc(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I04 compound treatment 820.0 317.0 0.7 360.0 -203.0 -0.52 0.1273 0.1456 1913304 CBDivE_001444 Cc1ccc(/C=C\2/SC(=N)NC2=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I05 compound treatment 1020.0 517.0 1.14 660.0 96.9 0.25 0.9853 0.8412 3105920 CBDivE_001445 Nc1c2CCCc2nc3ccccc13.OC(=O)c1cncc(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I06 compound treatment 1920.0 1420.0 3.14 340.0 -223.0 -0.57 1.8134 0.5685 1913305 CBDivE_001446 OCC(=O)N/N=C/c1ccc(Br)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I07 compound treatment 2240.0 1740.0 3.85 320.0 -243.0 -0.62 2.2781 0.5846 3105921 CBDivE_001447 Nc1c2CCCCc2nc3ccccc13.OC(=O)c1cncc(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I08 compound treatment 2600.0 2100.0 4.64 320.0 -243.0 -0.62 2.8418 0.6066 1913306 CBDivE_001448 CN(C)c1ccc(/C=N/NC(=O)CO)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I09 compound treatment 1440.0 937.0 2.07 320.0 -243.0 -0.62 1.0254 0.4733 3105922 CBDivE_001449 Nc1c2CCCCCc2nc3ccccc13.OC(=O)c1cncc(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I10 compound treatment 760.0 257.0 0.57 340.0 -223.0 -0.57 -0.003 -0.0037 1913307 CBDivE_001450 OCC(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I11 compound treatment 740.0 237.0 0.52 260.0 -303.0 -0.78 -0.1796 -0.1913 3105944 CBDivE_001451 CCc1nc2ccccc2c(N)c1C.OC(=O)c1cncc(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I12 compound treatment 560.0 56.9 0.13 360.0 -203.0 -0.52 -0.2798 -0.5214 1913308 CBDivE_001452 Brc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I13 compound treatment 680.0 177.0 0.39 320.0 -243.0 -0.62 -0.1646 -0.2233 3105945 CBDivE_001453 CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.Nc1c2CCCc2nc3CCCc31 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I14 compound treatment 780.0 277.0 0.61 340.0 -223.0 -0.57 0.0283 0.0337 1913309 CBDivE_001454 Oc1c(Br)cc(Br)cc1/C=N/NC(=O)CNC(=O)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I15 compound treatment 460.0 -43.1 -0.1 460.0 -103.0 -0.26 -0.2548 -0.905 3105946 CBDivE_001455 CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.Nc1c2CCCc2nc3CCCCc13 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I16 compound treatment 640.0 137.0 0.3 520.0 -43.1 -0.11 0.136 0.4216 1913310 CBDivE_001456 Fc1ccccc1/C=N/NC(=O)CNC(=O)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I17 compound treatment 500.0 -3.13 -0.01 320.0 -243.0 -0.62 -0.4464 -0.7149 3105947 CBDivE_001457 Nc1c2CCCc2nc3CCCc31.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I18 compound treatment 540.0 36.9 0.08 700.0 137.0 0.35 0.3064 0.8487 1913311 CBDivE_001458 CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I19 compound treatment 660.0 157.0 0.35 320.0 -243.0 -0.62 -0.1959 -0.2742 3105948 CBDivE_001459 Nc1c2CCCc2nc3CCCCc13.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I20 compound treatment 640.0 137.0 0.3 400.0 -163.0 -0.42 -0.0819 -0.1584 1913312 CBDivE_001460 OCC(=O)N/N=C/c1ccc(O)cc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I21 mock treatment 580.0 76.9 0.17 360.0 -203.0 -0.52 -0.2485 -0.4529 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I22 mock treatment 640.0 137.0 0.3 580.0 16.9 0.04 0.245 0.8002 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I23 mock treatment 640.0 137.0 0.3 500.0 -63.1 -0.16 0.0997 0.2901 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 I24 mock treatment 360.0 -143.0 -0.32 840.0 277.0 0.71 0.2788 0.3581 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J01 compound treatment 1920.0 1420.0 3.14 460.0 -103.0 -0.26 2.0313 0.6451 1913313 CBDivE_001461 Cc1ccc(OC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J02 compound treatment 1380.0 877.0 1.94 480.0 -83.1 -0.21 1.2221 0.6256 1594222 CBDivE_001462 CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)N(C)CC1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J03 compound treatment 960.0 457.0 1.01 340.0 -223.0 -0.57 0.3102 0.2667 1489837 CBDivE_001463 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Oc2ccc(C=O)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J04 compound treatment 1500.0 997.0 2.21 540.0 -23.1 -0.06 1.519 0.6878 1464973 CBDivE_001464 OC(=O)c1cc(c2ccccc2)c(cn1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J05 compound treatment 1460.0 957.0 2.12 460.0 -103.0 -0.26 1.311 0.614 1008886 CBDivE_001465 CC(C)(C)c1ccc(OC(=O)c2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J06 compound treatment 2340.0 1840.0 4.07 380.0 -183.0 -0.47 2.5437 0.6212 1267778 CBDivE_001466 COc1ccc(SCCc2ccncc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J07 compound treatment 3240.0 2740.0 6.06 320.0 -243.0 -0.62 3.8439 0.6309 1872865 CBDivE_001467 [O-][N+](=O)c1cccc(c1)C(=O)Oc2ccc(cc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J08 compound treatment 2100.0 1600.0 3.54 380.0 -183.0 -0.47 2.1679 0.6077 1913314 CBDivE_001468 Fc1ccc(SCCc2ccncc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J09 compound treatment 1380.0 877.0 1.94 380.0 -183.0 -0.47 1.0405 0.5208 1913315 CBDivE_001469 O=Cc1ccc(OC(=O)c2ccco2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J10 compound treatment 860.0 357.0 0.79 320.0 -243.0 -0.62 0.1173 0.1164 1777569 CBDivE_001470 [O-][N+](=O)c1ccc(SCCc2ccccn2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J11 compound treatment 840.0 337.0 0.75 320.0 -243.0 -0.62 0.0859 0.0883 1913316 CBDivE_001471 CC(C)(C)c1ccc(OC(=O)c2ccco2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J12 compound treatment 500.0 -3.13 -0.01 340.0 -223.0 -0.57 -0.4101 -0.7156 1301683 CBDivE_001472 Cc1ccc(CCSc2ccc(F)cc2)cn1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J13 compound treatment 660.0 157.0 0.35 560.0 -3.1 -0.01 0.24 0.6907 1315243 CBDivE_001473 O=C(Oc1ccc(cc1)C2CCCCC2)c3ccco3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J14 compound treatment 480.0 -23.1 -0.05 260.0 -303.0 -0.78 -0.5867 -0.752 1913317 CBDivE_001474 OCCOc1ccc(cc1OCCO)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J15 compound treatment 580.0 76.9 0.17 320.0 -243.0 -0.62 -0.3212 -0.4962 1054931 CBDivE_001475 O=C(Oc1ccc(cc1)c2ccccc2)c3ccco3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J16 compound treatment 500.0 -3.13 -0.01 260.0 -303.0 -0.78 -0.5554 -0.7134 1913318 CBDivE_001476 O=C1N(CCNCCN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J17 compound treatment 660.0 157.0 0.35 400.0 -163.0 -0.42 -0.0506 -0.093 1120472 CBDivE_001477 Cc1ccccc1OCC(=O)Oc2ccc3ccccc3c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J18 compound treatment 500.0 -3.13 -0.01 480.0 -83.1 -0.21 -0.1558 -0.7296 1913319 CBDivE_001478 NCCOc1ccccc1OCCN 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J19 compound treatment 640.0 137.0 0.3 260.0 -303.0 -0.78 -0.3362 -0.4024 1913320 CBDivE_001479 O=C(Oc1ccccc1)/C=C/c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J20 compound treatment 640.0 137.0 0.3 320.0 -243.0 -0.62 -0.2272 -0.3274 1913321 CBDivE_001480 C1CCN=C(NC1)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J21 mock treatment 460.0 -43.1 -0.1 460.0 -103.0 -0.26 -0.2548 -0.905 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J22 mock treatment 520.0 16.9 0.04 500.0 -63.1 -0.16 -0.0882 -0.5302 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J23 mock treatment 680.0 177.0 0.39 780.0 217.0 0.56 0.6709 0.9851 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 J24 mock treatment 640.0 137.0 0.3 420.0 -143.0 -0.37 -0.0456 -0.0957 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K01 compound treatment 1720.0 1220.0 2.69 240.0 -323.0 -0.83 1.3186 0.4676 3105949 CBDivE_001481 CCc1nc2ccccc2c(N)c1C.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K02 compound treatment 880.0 377.0 0.83 160.0 -403.0 -1.04 -0.142 -0.1068 1913322 CBDivE_001482 OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K03 compound treatment 840.0 337.0 0.75 340.0 -223.0 -0.57 0.1223 0.13 3105950 CBDivE_001483 CCCc1nc2ccccc2c(N)c1CC.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K04 compound treatment 1020.0 517.0 1.14 220.0 -343.0 -0.88 0.1862 0.1289 1913323 CBDivE_001484 C(=N/c1ccc2nc(oc2c1)c3ccccc3)\c4c5ccccc5cc6ccccc46 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K05 compound treatment 1720.0 1220.0 2.69 460.0 -103.0 -0.26 1.7182 0.6346 3105951 CBDivE_001485 Nc1c2CCCc2nc3CCCc31.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K06 compound treatment 2640.0 2140.0 4.73 400.0 -163.0 -0.42 3.0497 0.642 1913324 CBDivE_001486 O/N=C(\Nc1ccccc1)/C(=N/O)/Nc2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K07 compound treatment 2240.0 1740.0 3.85 540.0 -23.1 -0.06 2.6777 0.6961 3105952 CBDivE_001487 Nc1c2CCCc2nc3CCCCc13.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K08 compound treatment 1820.0 1320.0 2.92 480.0 -83.1 -0.21 1.9111 0.6536 1913325 CBDivE_001488 COc1cccc(/C=N/c2ccc(cc2)N3CCOCC3)c1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K09 compound treatment 960.0 457.0 1.01 480.0 -83.1 -0.21 0.5644 0.5459 3105953 CBDivE_001489 Nc1c2CCCc2nc3ccccc13.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K10 compound treatment 680.0 177.0 0.39 320.0 -243.0 -0.62 -0.1646 -0.2233 1913326 CBDivE_001490 COc1ccc(NCN2C(=O)/C(=C\c3ccc(cc3)[N+](=O)[O-])/SC2=S)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K11 compound treatment 480.0 -23.1 -0.05 720.0 157.0 0.4 0.2488 0.6123 3105954 CBDivE_001491 CCc1nc2ccccc2c(N)c1C.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K12 compound treatment 540.0 36.9 0.08 740.0 177.0 0.45 0.379 0.821 1913327 CBDivE_001492 FC(F)(F)C(=O)Nc1nnc([nH]1)c2nnc(NC(=O)C(F)(F)F)[nH]2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K13 compound treatment 400.0 -103.0 -0.23 380.0 -183.0 -0.47 -0.4941 -0.9449 1913328 CBDivE_001493 [O-][N+](=O)c1ccc(/C=C/C(=O)NCCc2ccccn2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K14 compound treatment 660.0 157.0 0.35 520.0 -43.1 -0.11 0.1674 0.459 1913329 CBDivE_001494 COc1cccc(/C=N/c2ccc3nc(oc3c2)c4ccc(Br)cc4)c1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K15 compound treatment 560.0 56.9 0.13 480.0 -83.1 -0.21 -0.0619 -0.2497 1913330 CBDivE_001495 OS(=O)(=O)CCCN1/C(=C\C=N\c2ccccc2)/Sc3ccccc13 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K16 compound treatment 400.0 -103.0 -0.23 380.0 -183.0 -0.47 -0.4941 -0.9449 1913331 CBDivE_001496 Oc1ccc(/C=N/c2ccc3nc(oc3c2)c4cccc(I)c4)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K17 compound treatment 640.0 137.0 0.3 560.0 -3.1 -0.01 0.2087 0.6883 1913332 CBDivE_001497 OS(=O)(=O)CCCN/1CCS\C1=C\C=N\c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K18 compound treatment 480.0 -23.1 -0.05 420.0 -143.0 -0.37 -0.2961 -0.7979 1913333 CBDivE_001498 Oc1ccc(/C=N/c2ccc3nc(oc3c2)c4cccc(I)c4)c(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K19 compound treatment 740.0 237.0 0.52 500.0 -63.1 -0.16 0.2563 0.4668 3105959 CBDivE_001499 CCN1/C(=C\C=N\c2ccccc2)/SC(=C1c3ccccc3)c4ccccc4.Cc1ccc(cc1)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K20 compound treatment 380.0 -123.0 -0.27 640.0 76.9 0.2 -0.0531 -0.1578 1913335 CBDivE_001500 COc1cccc(/C=N/c2ccc(NC(=O)C)cc2)c1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K21 mock treatment 520.0 16.9 0.04 640.0 76.9 0.2 0.1661 0.8262 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K22 mock treatment 420.0 -83.1 -0.18 420.0 -143.0 -0.37 -0.3901 -0.9489 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K23 mock treatment 420.0 -83.1 -0.18 500.0 -63.1 -0.16 -0.2448 -0.998 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 K24 mock treatment 640.0 137.0 0.3 440.0 -123.0 -0.32 -0.0093 -0.0212 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L01 compound treatment 1200.0 697.0 1.54 320.0 -243.0 -0.62 0.6496 0.3902 1913336 CBDivE_001501 CC(C)(C)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L02 compound treatment 1200.0 697.0 1.54 240.0 -323.0 -0.83 0.5043 0.2878 1913337 CBDivE_001502 Cc1ccc(cc1)S(=O)(=O)N2CCOCCOCCN(CCOCCOCC2)S(=O)(=O)c3ccc(C)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L03 compound treatment 960.0 457.0 1.01 320.0 -243.0 -0.62 0.2738 0.2303 1913338 CBDivE_001503 O=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L04 compound treatment 960.0 457.0 1.01 480.0 -83.1 -0.21 0.5644 0.5459 1913339 CBDivE_001504 C(N1CCOCCOCCN(Cc2ccccc2)CCOCCOCC1)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L05 compound treatment 1980.0 1480.0 3.27 460.0 -103.0 -0.26 2.1253 0.6477 1913340 CBDivE_001505 [O-][N+](=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L06 compound treatment 2660.0 2160.0 4.78 640.0 76.9 0.2 3.517 0.7357 1913341 CBDivE_001506 Nc1ccc(OCCO)c(OCCO)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L07 compound treatment 2480.0 1980.0 4.38 320.0 -243.0 -0.62 2.6539 0.6002 1913342 CBDivE_001507 COc1ccccc1OC(=O)/C=C/c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L08 compound treatment 1360.0 857.0 1.9 500.0 -63.1 -0.16 1.2271 0.6444 1913343 CBDivE_001508 O=C(OCc1ccccc1)N2CCOCCOCCN(CCOCCOCC2)C(=O)OCc3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L09 compound treatment 700.0 197.0 0.44 460.0 -103.0 -0.26 0.121 0.2372 1913344 CBDivE_001509 Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L10 compound treatment 560.0 56.9 0.13 560.0 -3.1 -0.01 0.0834 0.661 1913345 CBDivE_001510 CC(C)(C)OC(=O)N1CCOCCOCCNCCOCCOCC1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L11 compound treatment 640.0 137.0 0.3 400.0 -163.0 -0.42 -0.0819 -0.1584 1913346 CBDivE_001511 OC(=O)CSc1ccc(Cl)c(Cl)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L12 compound treatment 580.0 76.9 0.17 880.0 317.0 0.81 0.696 0.8369 1913347 CBDivE_001512 OCCOc1ccc(Br)cc1OCCO 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L13 compound treatment 440.0 -63.1 -0.14 400.0 -163.0 -0.42 -0.3951 -0.8946 1913348 CBDivE_001513 [N-]=[N+]=NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N=[N+]=[N-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L14 compound treatment 360.0 -143.0 -0.32 260.0 -303.0 -0.78 -0.7746 -0.9215 1090851 CBDivE_001514 C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L15 compound treatment 440.0 -63.1 -0.14 460.0 -103.0 -0.26 -0.2861 -0.9554 1913349 CBDivE_001515 [N-]=[N+]=Nc1ccc(Sc2ccc(Oc3ccc(Sc4ccc(N=[N+]=[N-])cc4)cc3)cc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L16 compound treatment 380.0 -123.0 -0.27 480.0 -83.1 -0.21 -0.3437 -0.9927 3105995 CBDivE_001516 Nc1ccc(cc1)C(=O)O.C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L17 compound treatment 480.0 -23.1 -0.05 480.0 -83.1 -0.21 -0.1872 -0.8525 1913350 CBDivE_001517 [O-][N+](=O)c1ccc(cc1)c2nnc(o2)c3ccc(cc3)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L18 compound treatment 480.0 -23.1 -0.05 260.0 -303.0 -0.78 -0.5867 -0.752 3105996 CBDivE_001518 Nc1ccccc1[N+](=O)[O-].C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L19 compound treatment 440.0 -63.1 -0.14 340.0 -223.0 -0.57 -0.5041 -0.8545 1913351 CBDivE_001519 [N-]=[N+]=Nc1ccc(cc1)S(=O)(=O)c2cccc(N=[N+]=[N-])c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L20 compound treatment 460.0 -43.1 -0.1 580.0 16.9 0.04 -0.0368 -0.3512 3105997 CBDivE_001520 Nc1ccc(cc1)[N+](=O)[O-].C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L21 mock treatment 500.0 -3.13 -0.01 640.0 76.9 0.2 0.1348 0.6819 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L22 mock treatment 520.0 16.9 0.04 380.0 -183.0 -0.47 -0.3062 -0.6489 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L23 mock treatment 640.0 137.0 0.3 660.0 96.9 0.25 0.3903 0.9952 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 L24 mock treatment 680.0 177.0 0.39 520.0 -43.1 -0.11 0.1987 0.4881 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M01 compound treatment 1600.0 1100.0 2.43 340.0 -223.0 -0.57 1.3123 0.5258 1913352 CBDivE_001521 C(=N/c1ccc2ncccc2c1)\c3c[nH]c4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M02 compound treatment 1200.0 697.0 1.54 220.0 -343.0 -0.88 0.468 0.2633 1913353 CBDivE_001522 CC(=O)Nc1ccc(/N=C/c2cccc(c2)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M03 compound treatment 1000.0 497.0 1.1 380.0 -183.0 -0.47 0.4454 0.3723 1913354 CBDivE_001523 NC(=N)N/N=C/c1c[nH]c2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M04 compound treatment 840.0 337.0 0.75 360.0 -203.0 -0.52 0.1586 0.1742 1913355 CBDivE_001524 Cc1nc(O)c(C(c2cc(ccc2O)[N+](=O)[O-])c3c(O)nc(C)nc3O)c(O)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M05 compound treatment 1860.0 1360.0 3.0 460.0 -103.0 -0.26 1.9374 0.6423 1913356 CBDivE_001525 CC1=NN(C(=O)C1N=Nc2ccc(C)cc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M06 compound treatment 2620.0 2120.0 4.69 360.0 -203.0 -0.52 2.9458 0.6246 1913357 CBDivE_001526 Clc1cccc(c1)N(Cc2ccc(Cl)cc2Cl)C(=O)c3ccc(Br)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M07 compound treatment 2880.0 2380.0 5.26 360.0 -203.0 -0.52 3.3529 0.6339 1913358 CBDivE_001527 CC1=NN(C(=O)C1N=Nc2ccc(O)cc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M08 compound treatment 1440.0 937.0 2.07 360.0 -203.0 -0.52 1.0981 0.5133 1913359 CBDivE_001528 [O-][N+](=O)c1ccc-2c(Cc3cc(ccc32)C4CC4)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M09 compound treatment 1380.0 877.0 1.94 400.0 -163.0 -0.42 1.0768 0.5421 1913360 CBDivE_001529 COc1cccc(N=NC2C(=NN(C2=O)c3ccccc3)C)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M10 compound treatment 800.0 297.0 0.66 400.0 -163.0 -0.42 0.1686 0.2163 1005158 CBDivE_001530 O=C(Nc1ccccc1)c2ccncc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M11 compound treatment 560.0 56.9 0.13 460.0 -103.0 -0.26 -0.0982 -0.3349 1043944 CBDivE_001531 OCCN(CCO)CCc1c[nH]c2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M12 compound treatment 480.0 -23.1 -0.05 400.0 -163.0 -0.42 -0.3325 -0.7877 1774507 CBDivE_001532 OC(=O)c1cc(ccc1C(=O)Nc2cccc(c2)[N+](=O)[O-])[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M13 compound treatment 640.0 137.0 0.3 240.0 -323.0 -0.83 -0.3725 -0.4216 1913361 CBDivE_001533 COc1ccc(CCNCC(=O)c2c[nH]c3ccccc23)cc1OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M14 compound treatment 440.0 -63.1 -0.14 500.0 -63.1 -0.16 -0.2135 -0.9973 1774502 CBDivE_001534 Cc1ccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M15 compound treatment 500.0 -3.13 -0.01 380.0 -183.0 -0.47 -0.3375 -0.7174 1913362 CBDivE_001535 O=C(CSCC(=O)c1c[nH]c2ccccc12)c3c[nH]c4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M16 compound treatment 140.0 -363.0 -0.8 320.0 -243.0 -0.62 -1.0102 -0.9922 1913363 CBDivE_001536 Cc1cccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M17 compound treatment 540.0 36.9 0.08 320.0 -243.0 -0.62 -0.3838 -0.6095 1913364 CBDivE_001537 Cc1[nH]c2ccccc2c1C(=O)C3NCCS3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M18 compound treatment 340.0 -163.0 -0.36 480.0 -83.1 -0.21 -0.4064 -0.9685 1913365 CBDivE_001538 OC(=O)c1cc(ccc1C(=O)Nc2ccc(O)cc2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M19 compound treatment 740.0 237.0 0.52 480.0 -83.1 -0.21 0.22 0.3884 1913366 CBDivE_001539 Cc1[nH]c2ccccc2c1C(=O)CN3CCSC3C(=O)c4c(C)[nH]c5ccccc45 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M20 compound treatment 660.0 157.0 0.35 420.0 -143.0 -0.37 -0.0143 -0.0282 1774506 CBDivE_001540 OC(=O)c1cccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M21 mock treatment 520.0 16.9 0.04 520.0 -43.1 -0.11 -0.0519 -0.4439 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M22 mock treatment 320.0 -183.0 -0.41 460.0 -103.0 -0.26 -0.474 -0.9787 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M23 mock treatment 640.0 137.0 0.3 420.0 -143.0 -0.37 -0.0456 -0.0957 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 M24 mock treatment 340.0 -163.0 -0.36 480.0 -83.1 -0.21 -0.4064 -0.9685 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N01 compound treatment 1920.0 1420.0 3.14 320.0 -243.0 -0.62 1.777 0.5555 1913367 CBDivE_001541 FC(F)(F)COc1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N02 compound treatment 1000.0 497.0 1.1 320.0 -243.0 -0.62 0.3365 0.266 3003909 CBDivE_001542 Cc1ccc(cc1)S(=O)(=O)N.C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N03 compound treatment 1140.0 637.0 1.41 340.0 -223.0 -0.57 0.592 0.3889 1913368 CBDivE_001543 [N-]=[N+]=Nc1ccc(Oc2ccc(cc2)C(=O)c3ccc(Oc4ccc(N=[N+]=[N-])cc4)cc3)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N04 compound treatment 2680.0 2180.0 4.82 440.0 -123.0 -0.32 3.185 0.6593 1913369 CBDivE_001544 O=C(CCN1C(=O)c2ccccc2C1=O)N3CCOCCOCCOCCOCCOCC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N05 compound treatment 3240.0 2740.0 6.06 340.0 -223.0 -0.57 3.8803 0.6374 1443022 CBDivE_001545 CC(C)(c1ccc(OC(=O)c2ccccc2)cc1)c3ccc(OC(=O)c4ccccc4)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N06 compound treatment 3680.0 3180.0 7.03 580.0 16.9 0.04 5.0052 0.7115 1913370 CBDivE_001546 O=C(CCN1C(=O)c2ccccc2C1=O)N3CCOCCOCCN(CCOCCOCC3)C(=O)CCN4C(=O)c5ccccc5C4=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N07 compound treatment 1960.0 1460.0 3.23 440.0 -123.0 -0.32 2.0576 0.6348 1913371 CBDivE_001547 CC(C)(c1ccc(OC(=O)c2cccc(c2)[N+](=O)[O-])cc1)c3ccc(OC(=O)c4cccc(c4)[N+](=O)[O-])cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N08 compound treatment 1200.0 697.0 1.54 640.0 76.9 0.2 1.2309 0.7912 1401777 CBDivE_001548 C1COCCNCCOCCOCCOCCN1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N09 compound treatment 960.0 457.0 1.01 400.0 -163.0 -0.42 0.4191 0.3828 1575164 CBDivE_001549 O=C(Sc1ccc(Oc2ccc(SC(=O)c3ccco3)cc2)cc1)c4ccco4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N10 compound treatment 660.0 157.0 0.35 560.0 -3.1 -0.01 0.24 0.6907 1913372 CBDivE_001550 NC(=O)CN1CCOCCOCCN(CC(=O)N)CCOCCOCC1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N11 compound treatment 740.0 237.0 0.52 360.0 -203.0 -0.52 0.002 0.0027 1913373 CBDivE_001551 O=C(Sc1ccc(Sc2ccc(SC(=O)c3ccccc3)cc2)cc1)c4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N12 compound treatment 820.0 317.0 0.7 440.0 -123.0 -0.32 0.2726 0.3542 1913374 CBDivE_001552 O=C(CN1CCOCCOCCN(CC(=O)Nc2ccccc2)CCOCCOCC1)Nc3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N13 compound treatment 560.0 56.9 0.13 380.0 -183.0 -0.47 -0.2435 -0.5001 1913375 CBDivE_001553 O=C(Sc1ccc(Sc2ccc(SC(=O)c3ccco3)cc2)cc1)c4ccco4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N14 compound treatment 640.0 137.0 0.3 540.0 -23.1 -0.06 0.1724 0.5581 1913376 CBDivE_001554 Cc1ccc(cc1)S(=O)(=O)N2CCOCCOCCOCCN(CCOCC2)S(=O)(=O)c3ccc(C)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N15 compound treatment 660.0 157.0 0.35 420.0 -143.0 -0.37 -0.0143 -0.0282 1059944 CBDivE_001555 Oc1ccc(cc1)C(=O)C(=O)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N16 compound treatment 520.0 16.9 0.04 380.0 -183.0 -0.47 -0.3062 -0.6489 1913377 CBDivE_001556 CC(C)(C)C1(C)O[C@H]([C@@H](O1)C(=O)N)C(=O)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N17 compound treatment 440.0 -63.1 -0.14 260.0 -303.0 -0.78 -0.6494 -0.8209 1913378 CBDivE_001557 Cc1ccc(cc1)C(=O)NNC(=O)c2ccc(N)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N18 compound treatment 760.0 257.0 0.57 320.0 -243.0 -0.62 -0.0393 -0.0466 1913379 CBDivE_001558 CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N19 compound treatment 480.0 -23.1 -0.05 560.0 -3.1 -0.01 -0.0418 -0.8075 1913380 CBDivE_001559 [O-][N+](=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N20 compound treatment 660.0 157.0 0.35 480.0 -83.1 -0.21 0.0947 0.2323 1913381 CBDivE_001560 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2OC(C)(C)O[C@H]2COS(=O)(=O)c3ccc(C)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N21 mock treatment 640.0 137.0 0.3 480.0 -83.1 -0.21 0.0634 0.171 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N22 mock treatment 420.0 -83.1 -0.18 520.0 -43.1 -0.11 -0.2085 -0.9704 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N23 mock treatment 360.0 -143.0 -0.32 320.0 -243.0 -0.62 -0.6657 -0.9506 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 N24 mock treatment 360.0 -143.0 -0.32 320.0 -243.0 -0.62 -0.6657 -0.9506 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O01 compound treatment 2240.0 1740.0 3.85 800.0 237.0 0.61 3.1499 0.8089 1913382 CBDivE_001561 CC(O)(C#CCO)c1ccc2ccccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O02 compound treatment 2000.0 1500.0 3.31 460.0 -103.0 -0.26 2.1566 0.6485 1774503 CBDivE_001562 OC(=O)c1ccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O03 compound treatment 2000.0 1500.0 3.31 400.0 -163.0 -0.42 2.0476 0.6129 1583639 CBDivE_001563 CC(C)(O)C#CC(C)(O)c1ccc2ccccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O04 compound treatment 1920.0 1420.0 3.14 360.0 -203.0 -0.52 1.8497 0.5815 1136727 CBDivE_001564 CC1(C2C(C3c4ccccc41)C(=O)N(C2=O)c5ccc(Cl)cc5)c6ccccc36 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O05 compound treatment 3080.0 2580.0 5.71 320.0 -243.0 -0.62 3.5934 0.626 1913383 CBDivE_001565 CC(O)(C#CC(C)(O)c1ccc2ccccc2c1)c3ccc4ccccc4c3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O06 compound treatment 3380.0 2880.0 6.37 780.0 217.0 0.56 4.8987 0.766 1913384 CBDivE_001566 OC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O07 compound treatment 2740.0 2240.0 4.95 500.0 -63.1 -0.16 3.388 0.6836 1913385 CBDivE_001567 O=C1N(CC2CO2)C(=O)c3cccc4cccc1c34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O08 compound treatment 1620.0 1120.0 2.47 320.0 -243.0 -0.62 1.3073 0.5125 1913386 CBDivE_001568 COc1ccc(/C=C/C2=NN(C(C2)c3ccc(OC)cc3)c4ccccc4)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O09 compound treatment 1060.0 557.0 1.23 500.0 -63.1 -0.16 0.7574 0.6089 1913387 CBDivE_001569 [O-][N+](=O)c1ccc2c(NC(=O)C2(Cl)Cl)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O10 compound treatment 1220.0 717.0 1.59 500.0 -63.1 -0.16 1.0079 0.6316 1774513 CBDivE_001570 OC(=O)c1cccc(c1)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O11 compound treatment 1020.0 517.0 1.14 520.0 -43.1 -0.11 0.7311 0.6357 1913388 CBDivE_001571 [O-][N+](=O)c1ccc(C#Cc2ccc3cc4ccccc4cc3c2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O12 compound treatment 580.0 76.9 0.17 340.0 -223.0 -0.57 -0.2849 -0.4765 1913389 CBDivE_001572 O=C1CS/C(=N\c2ccccc2)/N1c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O13 compound treatment 540.0 36.9 0.08 340.0 -223.0 -0.57 -0.3475 -0.6003 1913390 CBDivE_001573 NCCSc1c2ccccc2c(SCCN)c3ccccc13 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O14 compound treatment 700.0 197.0 0.44 480.0 -83.1 -0.21 0.1573 0.3241 1913391 CBDivE_001574 CC(=O)Nc1ccc(cc1)N2C(=O)c3ccc(N)cc3C2=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O15 compound treatment 500.0 -3.13 -0.01 540.0 -23.1 -0.06 -0.0469 -0.7842 1913392 CBDivE_001575 Clc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O16 compound treatment 800.0 297.0 0.66 580.0 16.9 0.04 0.4955 0.7522 1648014 CBDivE_001576 S=c1n(CN2CCCCC2)c3ccccc3n1CN4CCCCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O17 compound treatment 800.0 297.0 0.66 440.0 -123.0 -0.32 0.2413 0.3307 1913393 CBDivE_001577 ClC(Cl)(Cl)C(NC(=O)c1ccco1)NC(=S)Nc2ccc(Br)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O18 compound treatment 640.0 137.0 0.3 880.0 317.0 0.81 0.7899 0.9094 1913394 CBDivE_001578 Clc1ccc(cc1Cl)N2N=C(CC2c3ccc(Br)cc3)/C=C/c4ccc(Br)cc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O19 compound treatment 640.0 137.0 0.3 440.0 -123.0 -0.32 -0.0093 -0.0212 1529101 CBDivE_001579 Clc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O20 compound treatment 760.0 257.0 0.57 680.0 117.0 0.3 0.6145 0.9554 1774923 CBDivE_001580 OC(=O)c1ccc(cc1C(=O)O)C(=O)c2cccc(c2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O21 mock treatment 640.0 137.0 0.3 460.0 -103.0 -0.26 0.0271 0.0672 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O22 mock treatment 480.0 -23.1 -0.05 660.0 96.9 0.25 0.1398 0.5501 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O23 mock treatment 320.0 -183.0 -0.41 580.0 16.9 0.04 -0.2561 -0.6278 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 O24 mock treatment 480.0 -23.1 -0.05 520.0 -43.1 -0.11 -0.1145 -0.9386 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P01 compound treatment 1340.0 837.0 1.85 480.0 -83.1 -0.21 1.1595 0.6215 1913395 CBDivE_001581 O=C(Nc1ccc2ccccc2c1)/C=C/c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P02 compound treatment 1400.0 897.0 1.99 500.0 -63.1 -0.16 1.2897 0.6472 1913396 CBDivE_001582 NC(=N)Nc1nc2ccccc2c(=O)[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P03 compound treatment 1660.0 1160.0 2.56 640.0 76.9 0.2 1.9511 0.7594 1913397 CBDivE_001583 [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(c3)[N+](=O)[O-])c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P04 compound treatment 2240.0 1740.0 3.85 400.0 -163.0 -0.42 2.4234 0.6264 1913398 CBDivE_001584 Ic1ccc2nc[nH]c(=O)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P05 compound treatment 3940.0 3440.0 7.61 540.0 -23.1 -0.06 5.3396 0.7016 1913399 CBDivE_001585 O=C(Oc1ccc(cc1)C2(c3ccccc3-c4ccccc42)c5ccc(OC(=O)c6ccccc6)cc5)c7ccccc7 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P06 compound treatment 3400.0 2900.0 6.41 820.0 257.0 0.66 5.0026 0.7758 1913400 CBDivE_001586 Cc1nc2ccc(I)cc2c(=O)[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P07 compound treatment 2360.0 1860.0 4.11 320.0 -243.0 -0.62 2.466 0.5929 1913401 CBDivE_001587 O=C(Oc1ccc(cc1)C2(OC(=O)c3ccccc32)c4ccc(OC(=O)c5ccccc5)cc4)c6ccccc6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P08 compound treatment 1420.0 917.0 2.03 320.0 -243.0 -0.62 0.9941 0.468 1913402 CBDivE_001588 Oc1ccc(/C=N/Nc2nnn[nH]2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P09 compound treatment 780.0 277.0 0.61 640.0 76.9 0.2 0.5732 0.8899 1913403 CBDivE_001589 CN(C)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P10 compound treatment 740.0 237.0 0.52 460.0 -103.0 -0.26 0.1836 0.3125 1913404 CBDivE_001590 Nc1nnnn1/N=C/c2ccc(O)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P11 compound treatment 580.0 76.9 0.17 500.0 -63.1 -0.16 0.0058 0.0245 1913405 CBDivE_001591 [O-][N+](=O)c1cc(ccc1Cl)c2nc3ccccc3nc2c4ccc(Cl)c(c4)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P12 compound treatment 680.0 177.0 0.39 580.0 16.9 0.04 0.3076 0.7807 1913406 CBDivE_001592 Oc1ccc(/C=N/Nc2nnn[nH]2)c(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P13 compound treatment 500.0 -3.13 -0.01 640.0 76.9 0.2 0.1348 0.6819 1009056 CBDivE_001593 c1ccc2nc3c4ccccc4c5ccccc5c3nc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P14 compound treatment 340.0 -163.0 -0.36 460.0 -103.0 -0.26 -0.4427 -0.9884 1913407 CBDivE_001594 Fc1ccccc1/C=N/Nc2nnn[nH]2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P15 compound treatment 680.0 177.0 0.39 460.0 -103.0 -0.26 0.0897 0.1897 1913408 CBDivE_001595 CC/1CCCC\C1=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P16 compound treatment 560.0 56.9 0.13 340.0 -223.0 -0.57 -0.3162 -0.5388 1913409 CBDivE_001596 Nc1nnnn1/N=C/c2ccc(O)cc2O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P17 compound treatment 540.0 36.9 0.08 420.0 -143.0 -0.37 -0.2022 -0.5369 1315790 CBDivE_001597 Cc1ccc(cc1)C(=O)Nc2cccc(O)c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P18 compound treatment 580.0 76.9 0.17 520.0 -43.1 -0.11 0.0421 0.2072 1913410 CBDivE_001598 Oc1ccc(/C=N/Nc2nnn[nH]2)cc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P19 compound treatment 400.0 -103.0 -0.23 640.0 76.9 0.2 -0.0218 -0.0722 1867038 CBDivE_001599 Oc1ccc(NC(=O)c2cccc(c2)[N+](=O)[O-])cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P20 compound treatment 540.0 36.9 0.08 580.0 16.9 0.04 0.0884 0.9563 1913411 CBDivE_001600 Nc1nnnn1/N=C/c2ccc(O)c(O)c2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P21 mock treatment 520.0 16.9 0.04 640.0 76.9 0.2 0.1661 0.8262 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P22 mock treatment 460.0 -43.1 -0.1 640.0 76.9 0.2 0.0721 0.3288 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P23 mock treatment 520.0 16.9 0.04 460.0 -103.0 -0.26 -0.1608 -0.6014 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1258 P24 mock treatment 440.0 -63.1 -0.14 560.0 -3.1 -0.01 -0.1045 -0.7462 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A01 mock treatment 1280.0 490.0 1.08 640.0 208.0 0.53 1.1445 0.9469 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A02 mock treatment 1080.0 290.0 0.64 720.0 288.0 0.74 0.9767 0.9974 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A03 compound treatment 1300.0 510.0 1.13 700.0 268.0 0.69 1.2848 0.972 1011216 NCIStruc1_000001 NC(=S)SCCC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A04 compound treatment 1160.0 370.0 0.82 900.0 468.0 1.2 1.4289 0.9824 2513 NCIStruc1_000002 OC(=O)CNCP(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A05 compound treatment 900.0 110.0 0.24 960.0 528.0 1.36 1.1307 0.8205 1003335 NCIStruc1_000003 OC(=O)CC(CC(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A06 compound treatment 880.0 89.5 0.2 740.0 308.0 0.79 0.6998 0.8577 2078125 NCIStruc1_000004 OC(=O)CSCCc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A07 compound treatment 1220.0 430.0 0.95 960.0 528.0 1.36 1.6318 0.9849 1013356 NCIStruc1_000005 NCC(=O)Nc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A08 compound treatment 460.0 -330.0 -0.73 760.0 328.0 0.84 0.0785 0.0703 2121606 NCIStruc1_000006 OC(=O)/C=C/C(=O)Nc1ccccn1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A09 compound treatment 680.0 -110.0 -0.24 800.0 368.0 0.95 0.4956 0.5075 2121607 NCIStruc1_000007 C[C@@H](N)[C@@H](C)Cc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A10 compound treatment 740.0 -50.5 -0.11 880.0 448.0 1.15 0.7349 0.6355 1060346 NCIStruc1_000008 C(N1CCOCC1)c2ncc[nH]2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A11 compound treatment 740.0 -50.5 -0.11 460.0 28.1 0.07 -0.028 -0.21 1023644 NCIStruc1_000009 Oc1cc(CF)nc(S)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A12 compound treatment 640.0 -150.0 -0.33 700.0 268.0 0.69 0.2514 0.3286 2121608 NCIStruc1_000010 C/C(=N\CC(=O)O)/c1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A13 compound treatment 700.0 -90.5 -0.2 780.0 348.0 0.89 0.4906 0.5354 2121609 NCIStruc1_000011 Cc1c[n+](=O)c2ccccc2[n+]1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A14 compound treatment 860.0 69.5 0.15 900.0 468.0 1.2 0.9591 0.7912 2121610 NCIStruc1_000012 N[C@@H](CC(=O)N)C(=O)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A15 compound treatment 760.0 -30.5 -0.07 720.0 288.0 0.74 0.4756 0.64 2121611 NCIStruc1_000013 N[C@]1(CCC[C@@H]1C(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A16 compound treatment 180.0 -610.0 -1.35 840.0 408.0 1.05 -0.2146 -0.1255 2121612 NCIStruc1_000014 C[C@@](N)(/C=C/c1ccccc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A17 compound treatment 540.0 -250.0 -0.55 720.0 288.0 0.74 0.1311 0.1418 1039200 NCIStruc1_000015 CN(C)Cc1c[nH]c2ncnc(O)c12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A18 compound treatment 1120.0 330.0 0.73 880.0 448.0 1.15 1.3299 0.9758 1098994 NCIStruc1_000016 OC(=O)Cn1ccnc1[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A19 compound treatment 540.0 -250.0 -0.55 700.0 268.0 0.69 0.0948 0.1072 1043570 NCIStruc1_000017 Nc1cccc2nsnc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A20 compound treatment 160.0 -630.0 -1.4 580.0 148.0 0.38 -0.7182 -0.4963 2121613 NCIStruc1_000018 C[C@@H](NC(=O)C1(N)CCCC1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A21 compound treatment 900.0 110.0 0.24 1040.0 608.0 1.56 1.2761 0.8072 1026338 NCIStruc1_000019 Nc1nc(Cl)cc(NCCO)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A22 compound treatment 660.0 -130.0 -0.29 840.0 408.0 1.05 0.537 0.4938 2121614 NCIStruc1_000020 C[C@H](OP(=O)(O)O)[C@H](N)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A23 mock treatment 960.0 170.0 0.38 580.0 148.0 0.38 0.5345 1.0 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 A24 mock treatment 1140.0 350.0 0.77 760.0 328.0 0.84 1.1433 0.9991 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B01 mock treatment 1480.0 690.0 1.53 520.0 88.1 0.23 1.2397 0.8032 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B02 mock treatment 1100.0 310.0 0.69 900.0 468.0 1.2 1.3349 0.9645 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B03 compound treatment 1040.0 250.0 0.55 880.0 448.0 1.15 1.2047 0.9435 2121615 NCIStruc1_000021 CSCC[C@@H](N)P(=O)(C)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B04 compound treatment 1220.0 430.0 0.95 720.0 288.0 0.74 1.1959 0.9923 2121616 NCIStruc1_000022 C[N+](C)(C)[C@H](Cc1c[nH]c(=S)[nH]1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B05 compound treatment 900.0 110.0 0.24 580.0 148.0 0.38 0.4405 0.9764 2121617 NCIStruc1_000023 C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B06 compound treatment 960.0 170.0 0.38 680.0 248.0 0.64 0.7161 0.9681 2121618 NCIStruc1_000024 CN[C@H]1[C@H](C)O[C@@H](C[C@@H]1O)O[C@@H]2C/C=C(\C)/C\C(=C/C=C/CC[C@@H](C)CNC(=O)\C=C\C=C\[C@@H]2C)\C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B07 compound treatment 780.0 -10.5 -0.02 820.0 388.0 1.0 0.6886 0.6905 2121619 NCIStruc1_000025 COc1ccc(CC[N@+]2(C)COc3cc4oc(=O)cc(C)c4cc3C2)cc1OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B08 compound treatment 840.0 49.5 0.11 1000.0 568.0 1.46 1.1094 0.7581 2121620 NCIStruc1_000026 COc1cc2CN(C)C[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B09 compound treatment 780.0 -10.5 -0.02 780.0 348.0 0.89 0.6159 0.6885 2121621 NCIStruc1_000027 C[N+]1(CCC[N+]2(C)CCOCC2)C[C@H]3[C@@H](C1)[C@@H]4CC[C@H]3C=C4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B10 compound treatment 700.0 -90.5 -0.2 660.0 228.0 0.59 0.2727 0.4403 3066021 NCIStruc1_000028 N[Cu]N.SC#N.c1ccc2ncccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B11 compound treatment 180.0 -610.0 -1.35 900.0 468.0 1.2 -0.1056 -0.0584 2121623 NCIStruc1_000029 COC(=O)[C@@H]1c2cc3C(=O)c4c5O[C@H]6O[C@](C)([C@@H](O)[C@@H]([C@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c2[C@@H](O)C[C@]1(C)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B12 compound treatment 740.0 -50.5 -0.11 700.0 268.0 0.69 0.408 0.5847 2121624 NCIStruc1_000030 C[C@H]1c2c3C(=O)c4cccc(OP(=O)(O)OCc5ccccc5)c4C(=O)c3cn2Cc6ccccc16 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B13 compound treatment 420.0 -370.0 -0.82 720.0 288.0 0.74 -0.0568 -0.0514 2080299 NCIStruc1_000031 COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(O)c(CN5CCN(C)CC5)c4)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B14 compound treatment 800.0 9.52 0.02 760.0 328.0 0.84 0.6109 0.7246 1004016 NCIStruc1_000032 OC(=O)CCCc1ccc2ccccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B15 compound treatment 780.0 -10.5 -0.02 700.0 268.0 0.69 0.4706 0.6829 2121625 NCIStruc1_000033 COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@H](O[C@@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)/C(=N/O)/C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B16 compound treatment 780.0 -10.5 -0.02 800.0 368.0 0.95 0.6522 0.6896 1004721 NCIStruc1_000034 OC(=O)CSc1ccccc1C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B17 compound treatment 640.0 -150.0 -0.33 720.0 288.0 0.74 0.2877 0.3545 2121626 NCIStruc1_000035 CC1(C)CC(=[N+]2[N-]C(=[S+][Ni-2]32[S+]=C(N)[N-][N+]3=C4CC(C)(C)NC(C)(C)C4)N)CC(C)(C)N1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B18 compound treatment 740.0 -50.5 -0.11 640.0 208.0 0.53 0.299 0.5474 1009297 NCIStruc1_000036 Cc1cc(Cc2cc(C)c(N)cc2N)c(N)cc1N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B19 compound treatment 740.0 -50.5 -0.11 680.0 248.0 0.64 0.3716 0.5743 2121627 NCIStruc1_000037 FC(F)(F)c1cc(NC(=S)N2[C@@H](c3cccn3-c4ccccc24)c5cccnc5)cc(c1)C(F)(F)F 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B20 compound treatment 1040.0 250.0 0.55 760.0 328.0 0.84 0.9867 0.979 2121628 NCIStruc1_000038 C[C@H](CN(C)C)C(C#N)(c1ccccc1)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B21 compound treatment 1040.0 250.0 0.55 780.0 348.0 0.89 1.023 0.9732 2080281 NCIStruc1_000039 Nc1ccc(c2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)cc2)c(c1)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B22 compound treatment 740.0 -50.5 -0.11 860.0 428.0 1.1 0.6986 0.632 2080191 NCIStruc1_000040 CCCCN(c1ccccc1)c2ncnc3n(C)ncc23 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B23 mock treatment 840.0 49.5 0.11 860.0 428.0 1.1 0.8552 0.7738 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 B24 mock treatment 1160.0 370.0 0.82 900.0 468.0 1.2 1.4289 0.9824 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C01 mock treatment 980.0 190.0 0.42 480.0 48.1 0.12 0.3842 0.8781 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C02 mock treatment 960.0 170.0 0.38 480.0 48.1 0.12 0.3529 0.8928 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C03 compound treatment 1000.0 210.0 0.46 740.0 308.0 0.79 0.8877 0.9676 847 NCIStruc1_000041 CC(=CCC/C(=C/CO)/C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C04 compound treatment 180.0 -610.0 -1.35 640.0 208.0 0.53 -0.5779 -0.3975 1033069 NCIStruc1_000042 OC(=O)CNCCc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C05 compound treatment 680.0 -110.0 -0.24 740.0 308.0 0.79 0.3867 0.4668 1011235 NCIStruc1_000043 NNC(=O)CCSc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C06 compound treatment 820.0 29.5 0.07 680.0 248.0 0.64 0.4969 0.7756 2121629 NCIStruc1_000044 NCCC[C@@H](N)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C07 compound treatment 880.0 89.5 0.2 660.0 228.0 0.59 0.5545 0.8964 1013703 NCIStruc1_000045 OC(=O)CNc1ccc(cc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C08 compound treatment 80.0 -710.0 -1.57 960.0 528.0 1.36 -0.1532 -0.0738 1050041 NCIStruc1_000046 OC(=O)Cc1c[nH]c2ccc(F)cc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C09 compound treatment 440.0 -350.0 -0.78 720.0 288.0 0.74 -0.0255 -0.0237 1027509 NCIStruc1_000047 CCOC(=O)CCCN 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C10 compound treatment 680.0 -110.0 -0.24 720.0 288.0 0.74 0.3503 0.4495 2080232 NCIStruc1_000048 COc1ccc2c(C)cc(C)nc2n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C11 compound treatment 220.0 -570.0 -1.26 640.0 208.0 0.53 -0.5152 -0.3756 1025087 NCIStruc1_000049 OC(=O)CCc1nc2ccccc2[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C12 compound treatment 220.0 -570.0 -1.26 400.0 -31.9 -0.08 -0.9512 -0.7514 1062533 NCIStruc1_000050 NCCSCCC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C13 compound treatment 340.0 -450.0 -1.0 960.0 528.0 1.36 0.2539 0.1508 1032156 NCIStruc1_000051 OC(=O)CSC1=NCCN1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C14 compound treatment 260.0 -530.0 -1.17 880.0 448.0 1.15 -0.0167 -0.0102 2080645 NCIStruc1_000052 NCCSCCc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C15 compound treatment 840.0 49.5 0.11 700.0 268.0 0.69 0.5646 0.8095 1035121 NCIStruc1_000053 Oc1c[n+](CC[n+]2cc(O)on2)no1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C16 compound treatment 220.0 -570.0 -1.26 540.0 108.0 0.28 -0.6969 -0.5388 2121630 NCIStruc1_000054 NCC[C@@H](N)CSP(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C17 compound treatment 320.0 -470.0 -1.04 640.0 208.0 0.53 -0.3587 -0.3063 2121631 NCIStruc1_000055 OC(=O)C/C(=C/c1ccco1)/C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C18 compound treatment 660.0 -130.0 -0.29 700.0 268.0 0.69 0.2827 0.3785 1092153 NCIStruc1_000056 Cc1ncc([N+](=O)[O-])n1CCN=[N+]=[N-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C19 compound treatment 360.0 -430.0 -0.95 680.0 248.0 0.64 -0.2234 -0.1948 1000287 NCIStruc1_000057 OC(=O)CC(O)(CC(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C20 compound treatment 220.0 -570.0 -1.26 820.0 388.0 1.0 -0.1883 -0.117 2121632 NCIStruc1_000058 NNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C21 compound treatment 400.0 -390.0 -0.86 740.0 308.0 0.79 -0.0518 -0.0442 1047542 NCIStruc1_000059 C1CN2CCCN1C2c3ccncc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C22 compound treatment 680.0 -110.0 -0.24 960.0 528.0 1.36 0.7863 0.5704 2121633 NCIStruc1_000060 C[C@@H](C[C@H](N)C(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C23 mock treatment 640.0 -150.0 -0.33 580.0 148.0 0.38 0.0334 0.0661 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 C24 mock treatment 1120.0 330.0 0.73 640.0 208.0 0.53 0.894 0.9883 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D01 mock treatment 460.0 -330.0 -0.73 860.0 428.0 1.1 0.2601 0.1969 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D02 mock treatment 1080.0 290.0 0.64 740.0 308.0 0.79 1.013 0.9945 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D03 compound treatment 1040.0 250.0 0.55 640.0 208.0 0.53 0.7687 0.9999 2121634 NCIStruc1_000061 N[C@H](CC(=O)N)C(=O)OCC#C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D04 compound treatment 1160.0 370.0 0.82 500.0 68.1 0.17 0.7024 0.8393 2121635 NCIStruc1_000062 O=C1[C@H]2[C@H]([C@@H]3[C@H]2[C@@H]4C=C[C@H]3[C@H]5[C@H]4C(=O)N(CN6CCSCC6)C5=O)C(=O)N1CN7CCSCC7 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D05 compound treatment 1860.0 1070.0 2.37 820.0 388.0 1.0 2.3797 0.9261 2121636 NCIStruc1_000063 CN(C)c1ccc(cc1)[C@@H](C#N)N2CCCN([C@@H](C#N)c3ccc(cc3)N(C)C)C2c4ccc(cc4)N(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D06 compound treatment 700.0 -90.5 -0.2 700.0 268.0 0.69 0.3453 0.4814 2121637 NCIStruc1_000064 OP(=O)(O)CC(=O)N[C@H]1CC(=O)O[Pt-2]2(N[C@@H]3CCCC[C@H]3N2)OC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D07 compound treatment 1200.0 410.0 0.91 700.0 268.0 0.69 1.1283 0.9908 2121638 NCIStruc1_000065 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)C(=C[C@]3(C)O)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D08 compound treatment 320.0 -470.0 -1.04 580.0 148.0 0.38 -0.4676 -0.4216 2121639 NCIStruc1_000066 OC(=O)C1=C/C(=C(/c2ccccc2)\c3cc(C(=O)O)c(O)c4ccccc34)/c5ccccc5C1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D09 compound treatment 800.0 9.52 0.02 660.0 228.0 0.59 0.4293 0.7321 2121640 NCIStruc1_000067 COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1O)c32)cc67)ccc5O)cc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D10 compound treatment 220.0 -570.0 -1.26 640.0 208.0 0.53 -0.5152 -0.3756 1002843 NCIStruc1_000068 OS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D11 compound treatment 580.0 -210.0 -0.47 820.0 388.0 1.0 0.3754 0.3411 2117366 NCIStruc1_000069 CC/1=NNC(=S)NCCCN2CCN(CC2)CCCNC(=S)N\N=C(/C)\C=N\NC(=S)NCCCN3CCN(CC3)CCCNC(=S)N\N=C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D12 compound treatment 140.0 -650.0 -1.44 640.0 208.0 0.53 -0.6405 -0.4169 2121639 NCIStruc1_000070 OC(=O)C1=C/C(=C(/c2ccccc2)\c3cc(C(=O)O)c(O)c4ccccc34)/c5ccccc5C1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D13 compound treatment 320.0 -470.0 -1.04 540.0 108.0 0.28 -0.5403 -0.5011 2121641 NCIStruc1_000071 CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C2=O)c4c(O)cc(NC(=O)/C(=C/C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c4c(O)c3C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D14 compound treatment 240.0 -550.0 -1.22 420.0 -11.9 -0.03 -0.8835 -0.7246 2121642 NCIStruc1_000072 CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)CSC#N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D15 compound treatment 500.0 -290.0 -0.64 640.0 208.0 0.53 -0.0768 -0.0918 3065523 NCIStruc1_000073 CCCc1ccncc1.NC(N)(N)[NH2+][O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D16 compound treatment 420.0 -370.0 -0.82 880.0 448.0 1.15 0.2338 0.1654 1007972 NCIStruc1_000074 OC(=O)CC1(CC(=O)O)Nc2ccccc2SC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D17 compound treatment 340.0 -450.0 -1.0 660.0 228.0 0.59 -0.291 -0.2515 2121644 NCIStruc1_000075 O=C1[C@@H]2[C@@H]([C@H]3c4ccccc4[C@@H]2c5cccc[n+]35)C(=O)N1c6ccc(OCc7ccccc7)cc6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D18 compound treatment 120.0 -670.0 -1.48 720.0 288.0 0.74 -0.5265 -0.3174 2121645 NCIStruc1_000076 CC1(C)[C@@H]2CC[C@@]1(CC(=O)O)[C@@H](Cl)C2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D19 compound treatment 640.0 -150.0 -0.33 720.0 288.0 0.74 0.2877 0.3545 2121646 NCIStruc1_000077 CSC1=[NH-][N+]2=Cc3cccc(C)[n+]3[Cu]425(=[S+]1)=[n+]6c(C)cccc6=C[N+]5=[NH-]C(=[S+]4)SC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D20 compound treatment 200.0 -590.0 -1.31 900.0 468.0 1.2 -0.0743 -0.0418 2121647 NCIStruc1_000078 OC(=O)C/C(=C/c1ccccc1)/C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D21 compound treatment 520.0 -270.0 -0.6 640.0 208.0 0.53 -0.0455 -0.0567 2121648 NCIStruc1_000079 CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5ccccc45)C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D22 compound treatment 680.0 -110.0 -0.24 700.0 268.0 0.69 0.314 0.4296 2121649 NCIStruc1_000080 C[C@@H](O)COc1ccc(cc1N)[As](=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D23 mock treatment 3200.0 2410.0 5.34 640.0 208.0 0.53 4.1509 0.7741 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 D24 mock treatment 700.0 -90.5 -0.2 640.0 208.0 0.53 0.2364 0.414 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E01 mock treatment 440.0 -350.0 -0.78 420.0 -11.9 -0.03 -0.5704 -0.7343 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E02 mock treatment 660.0 -130.0 -0.29 560.0 128.0 0.33 0.0284 0.0649 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E03 compound treatment 500.0 -290.0 -0.64 500.0 68.1 0.17 -0.3311 -0.4967 2121650 NCIStruc1_000081 CC[C@@H](CS(=O)(=O)O)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E04 compound treatment 460.0 -330.0 -0.73 440.0 8.13 0.02 -0.5027 -0.6867 1032711 NCIStruc1_000082 Nc1cc(nc(O)n1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E05 compound treatment 520.0 -270.0 -0.6 360.0 -71.9 -0.18 -0.5541 -0.884 1011397 NCIStruc1_000083 OCCNc1ncnc2[nH]cnc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E06 compound treatment 420.0 -370.0 -0.82 520.0 88.1 0.23 -0.42 -0.4936 2239 NCIStruc1_000084 OC(=O)CP(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E07 compound treatment 560.0 -230.0 -0.51 380.0 -51.9 -0.13 -0.4551 -0.8628 2121651 NCIStruc1_000085 NC(=O)N[C@H](CC(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E08 compound treatment 320.0 -470.0 -1.04 640.0 208.0 0.53 -0.3587 -0.3063 1055568 NCIStruc1_000086 CCN=C=NCCCN(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E09 compound treatment 1060.0 270.0 0.6 320.0 -112.0 -0.29 0.2188 0.3303 2081408 NCIStruc1_000087 OCCCNc1ncnc2[nH]ncc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E10 compound treatment 900.0 110.0 0.24 640.0 208.0 0.53 0.5495 0.9361 1061773 NCIStruc1_000088 OC(=O)CC(CC(=O)O)n1cccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E11 compound treatment 260.0 -530.0 -1.17 640.0 208.0 0.53 -0.4526 -0.3507 1025082 NCIStruc1_000089 Cc1ccc(cc1)[n+]2cc(O)on2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E12 compound treatment 360.0 -430.0 -0.95 720.0 288.0 0.74 -0.1507 -0.1249 1021975 NCIStruc1_000090 NNc1nncn1N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E13 compound treatment 400.0 -390.0 -0.86 460.0 28.1 0.07 -0.5603 -0.6458 1029007 NCIStruc1_000091 C(Cc1ccccn1)N2CCOCC2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E14 compound treatment 240.0 -550.0 -1.22 420.0 -11.9 -0.03 -0.8835 -0.7246 1081577 NCIStruc1_000092 CCNC(=N)CSS(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E15 compound treatment 420.0 -370.0 -0.82 480.0 48.1 0.12 -0.4927 -0.5939 2121652 NCIStruc1_000093 CCOC(=O)C(C)(C)[C@H](O)C(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E16 compound treatment 220.0 -570.0 -1.26 640.0 208.0 0.53 -0.5152 -0.3756 2121653 NCIStruc1_000094 OC(=O)[C@H](CC=C)c1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E17 compound treatment 440.0 -350.0 -0.78 480.0 48.1 0.12 -0.4614 -0.5871 1040190 NCIStruc1_000095 OCCCNCc1ccncc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E18 compound treatment 80.0 -710.0 -1.57 340.0 -91.9 -0.24 -1.2794 -0.8042 2121654 NCIStruc1_000096 CC(=O)/C=N/CC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E19 compound treatment 260.0 -530.0 -1.17 360.0 -71.9 -0.18 -0.9612 -0.8083 1040509 NCIStruc1_000097 C(Cc1ccccn1)c2cccnc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E20 compound treatment 320.0 -470.0 -1.04 420.0 -11.9 -0.03 -0.7583 -0.7275 1002076 NCIStruc1_000098 CCN(CC(=O)O)CC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E21 compound treatment 320.0 -470.0 -1.04 540.0 108.0 0.28 -0.5403 -0.5011 1048725 NCIStruc1_000099 CCOC(=S)SCC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E22 compound treatment 400.0 -390.0 -0.86 660.0 228.0 0.59 -0.1971 -0.1887 2121655 NCIStruc1_000100 CCSCC[C@H](N)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E23 mock treatment 520.0 -270.0 -0.6 780.0 348.0 0.89 0.2088 0.194 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 E24 mock treatment 320.0 -470.0 -1.04 380.0 -51.9 -0.13 -0.8309 -0.7911 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F01 mock treatment 1020.0 230.0 0.51 560.0 128.0 0.33 0.5921 0.9779 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F02 mock treatment 820.0 29.5 0.07 340.0 -91.9 -0.24 -0.1206 -0.4927 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F03 compound treatment 1140.0 350.0 0.77 560.0 128.0 0.33 0.78 0.9274 1536337 NCIStruc1_000101 Brc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(Br)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F04 compound treatment 200.0 -590.0 -1.31 580.0 148.0 0.38 -0.6555 -0.4814 1012223 NCIStruc1_000102 OCCNS(=O)(=O)c1ccc([As]=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F05 compound treatment 480.0 -310.0 -0.69 400.0 -31.9 -0.08 -0.5441 -0.7858 2117396 NCIStruc1_000103 COc1cc(ccc1O)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)c3ccc(O)c(OC)c3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F06 compound treatment 180.0 -610.0 -1.35 380.0 -51.9 -0.13 -1.0501 -0.7731 3186752 NCIStruc1_000104 C[C@H]1O[C@@H]([C@@H](O)[C@@H]1O)n2cnc3c(=S)[nH]c(=N)[nH]c23.Oc1ccc(cc1)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F07 compound treatment 360.0 -430.0 -0.95 460.0 28.1 0.07 -0.623 -0.6516 2121657 NCIStruc1_000105 OC1C[C@@H]2CC[C@H](C1)N2CCCN3c4ccccc4Sc5ccc(Cl)cc35 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F08 compound treatment 360.0 -430.0 -0.95 640.0 208.0 0.53 -0.296 -0.2709 2122547 NCIStruc1_000106 CN1[C@H](C/C(=N/O)/C[C@H]1c2ccccc2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F09 compound treatment 540.0 -250.0 -0.55 520.0 88.1 0.23 -0.2321 -0.3875 2121658 NCIStruc1_000107 C[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F10 compound treatment 180.0 -610.0 -1.35 540.0 108.0 0.28 -0.7595 -0.5503 1002764 NCIStruc1_000108 NNC(=O)CCc1ccc2ccc3ccccc3c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F11 compound treatment 460.0 -330.0 -0.73 360.0 -71.9 -0.18 -0.648 -0.8586 2121659 NCIStruc1_000109 O[C@@H]([C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@@H](O)c3ncc[nH]3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F12 compound treatment 660.0 -130.0 -0.29 520.0 88.1 0.23 -0.0442 -0.1205 1117517 NCIStruc1_000110 CC1=C(Nc2c(C)cc(O)cc2O)C(=O)C=c3oc4=CC(=O)C(=C(C)c4c13)Nc5c(C)cc(O)cc5O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F13 compound treatment 500.0 -290.0 -0.64 320.0 -112.0 -0.29 -0.658 -0.934 2121660 NCIStruc1_000111 CCC1=C(C[C@H]2NCCc3ccccc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F14 compound treatment 540.0 -250.0 -0.55 680.0 248.0 0.64 0.0585 0.0692 1004522 NCIStruc1_000112 COc1cc(NC(=N)NC(=N)N)c2ncccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F15 compound treatment 360.0 -430.0 -0.95 440.0 8.13 0.02 -0.6593 -0.6915 2121661 NCIStruc1_000113 CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C2=O)c4c(O)c(CN(C)C)c(NC(=O)/C(=C/C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c4c(O)c3C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F16 compound treatment 460.0 -330.0 -0.73 400.0 -31.9 -0.08 -0.5754 -0.7813 2121662 NCIStruc1_000114 CC[C@@H]1[C@H](Cc2cncn2C)COC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F17 compound treatment 200.0 -590.0 -1.31 540.0 108.0 0.28 -0.7282 -0.5448 2121663 NCIStruc1_000115 COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@H](O[C@@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=N)c12)C(=O)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F18 compound treatment 320.0 -470.0 -1.04 380.0 -51.9 -0.13 -0.8309 -0.7911 2121664 NCIStruc1_000116 CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)/C=C/c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F19 compound treatment 400.0 -390.0 -0.86 440.0 8.13 0.02 -0.5967 -0.6898 2121665 NCIStruc1_000117 OC[C@H]1O[C@@H]([C@@H](O)[C@@H]1O)n2cnc3c(=S)[nH]c(=N)[nH]c23 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F20 compound treatment 340.0 -450.0 -1.0 380.0 -51.9 -0.13 -0.7996 -0.7945 1007045 NCIStruc1_000118 C(c1ccccc1)[N+]2(CN3CN4CN(C3)C2)C4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F21 compound treatment 640.0 -150.0 -0.33 460.0 28.1 0.07 -0.1845 -0.5412 2080649 NCIStruc1_000119 CC(C)(C)c1cc(C#N)cc(Br)c1OP(=O)(Oc2c(Br)cc(C#N)cc2C(C)(C)C)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F22 compound treatment 540.0 -250.0 -0.55 160.0 -272.0 -0.7 -0.886 -0.9935 2121666 NCIStruc1_000120 Nc1nc(O)nc2n(cnc12)[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F23 mock treatment 480.0 -310.0 -0.69 560.0 128.0 0.33 -0.2534 -0.3325 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 F24 mock treatment 500.0 -290.0 -0.64 320.0 -112.0 -0.29 -0.658 -0.934 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G01 mock treatment 520.0 -270.0 -0.6 380.0 -51.9 -0.13 -0.5177 -0.8438 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G02 mock treatment 640.0 -150.0 -0.33 240.0 -192.0 -0.49 -0.5841 -0.9818 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G03 compound treatment 340.0 -450.0 -1.0 340.0 -91.9 -0.24 -0.8722 -0.8509 2121667 NCIStruc1_000121 OC(=O)C/C(=C/C(=O)O)/C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G04 compound treatment 480.0 -310.0 -0.69 320.0 -112.0 -0.29 -0.6894 -0.9251 2121668 NCIStruc1_000122 N[C@@H](Cc1cccnn1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G05 compound treatment 160.0 -630.0 -1.4 220.0 -212.0 -0.54 -1.3721 -0.9156 1002456 NCIStruc1_000123 Cn1ncc2c(Cl)ncnc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G06 compound treatment 220.0 -570.0 -1.26 160.0 -272.0 -0.7 -1.3871 -0.9609 1028296 NCIStruc1_000124 NCc1ccc(cc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G07 compound treatment 200.0 -590.0 -1.31 320.0 -112.0 -0.29 -1.1278 -0.8424 1015542 NCIStruc1_000125 CSc1nnnc2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G08 compound treatment 140.0 -650.0 -1.44 400.0 -31.9 -0.08 -1.0764 -0.7461 1050981 NCIStruc1_000126 OC(=O)CC1(CCCCC1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G09 compound treatment 260.0 -530.0 -1.17 200.0 -232.0 -0.6 -1.2518 -0.9504 1027857 NCIStruc1_000127 OP(=O)(O)CCP(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G10 compound treatment 100.0 -690.0 -1.53 340.0 -91.9 -0.24 -1.248 -0.8067 1060056 NCIStruc1_000128 OC(=O)CCCSc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G11 compound treatment 260.0 -530.0 -1.17 340.0 -91.9 -0.24 -0.9975 -0.8325 1027015 NCIStruc1_000129 OC(=O)C(Cc1cccs1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G12 compound treatment 160.0 -630.0 -1.4 320.0 -112.0 -0.29 -1.1904 -0.8351 2121669 NCIStruc1_000130 NCC(=O)N[C@H](CO)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G13 compound treatment 360.0 -430.0 -0.95 180.0 -252.0 -0.65 -1.1315 -0.9822 1029013 NCIStruc1_000131 CC(C)CNCCc1ccccn1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G14 compound treatment 520.0 -270.0 -0.6 260.0 -172.0 -0.44 -0.7357 -0.9887 2121670 NCIStruc1_000132 [O-][N+](=O)/C=C/c1cc2ccccc2[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G15 compound treatment 240.0 -550.0 -1.22 260.0 -172.0 -0.44 -1.1741 -0.9056 1035216 NCIStruc1_000133 OC(=O)Cc1cc(Cl)ccc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G16 compound treatment 340.0 -450.0 -1.0 180.0 -252.0 -0.65 -1.1629 -0.978 1112056 NCIStruc1_000134 OCCSCc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G17 compound treatment 360.0 -430.0 -0.95 200.0 -232.0 -0.6 -1.0952 -0.9744 1040188 NCIStruc1_000135 OCCCNCc1ccccn1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G18 compound treatment 260.0 -530.0 -1.17 320.0 -112.0 -0.29 -1.0338 -0.8549 2121671 NCIStruc1_000136 C[C@H](CC(=O)O)C(C(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G19 compound treatment 420.0 -370.0 -0.82 260.0 -172.0 -0.44 -0.8923 -0.9578 2117341 NCIStruc1_000137 CN(CCO)Cc1ncccc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G20 compound treatment 320.0 -470.0 -1.04 340.0 -91.9 -0.24 -0.9036 -0.8459 2121672 NCIStruc1_000138 N[C@H](Cc1ccccc1)c2nnn[nH]2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G21 compound treatment 320.0 -470.0 -1.04 160.0 -272.0 -0.7 -1.2305 -0.9811 1048863 NCIStruc1_000139 C(NCc1cccnc1)c2cccnc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G22 compound treatment 380.0 -410.0 -0.91 220.0 -212.0 -0.54 -1.0276 -0.9699 1060197 NCIStruc1_000140 N[C-]1N=C(N)C(=C(N)[N+]1=O)NCO 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G23 mock treatment 220.0 -570.0 -1.26 180.0 -252.0 -0.65 -1.3508 -0.9517 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 G24 mock treatment 460.0 -330.0 -0.73 400.0 -31.9 -0.08 -0.5754 -0.7813 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H01 mock treatment 400.0 -390.0 -0.86 340.0 -91.9 -0.24 -0.7783 -0.8683 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H02 mock treatment 560.0 -230.0 -0.51 260.0 -172.0 -0.44 -0.6731 -0.9974 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H03 compound treatment 360.0 -430.0 -0.95 260.0 -172.0 -0.44 -0.9862 -0.9388 2121673 NCIStruc1_000141 ClP12(=[S+]c3nc[nH]c4nc[n+]1c34)(Cl)[S+]=C5N=CNc6[nH]c[n+]2c56 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H04 compound treatment 380.0 -410.0 -0.91 240.0 -192.0 -0.49 -0.9912 -0.9587 2121674 NCIStruc1_000142 CC(C)[C@@H]1OC(=O)/C=C/C=C/C=C/C=C/C=C/C[C@@H](O)[C@H](C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)CC(O)C[C@H](O)C[C@H](O)/C=C/[C@@H]1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H05 compound treatment 220.0 -570.0 -1.26 320.0 -112.0 -0.29 -1.0965 -0.8463 2121675 NCIStruc1_000143 C1CC[N+]2(CC1)Cc3c([OH+][CuH-3]42[ClH][CuH-3]5([OH+]c6ccc7ccccc7c6C[N+]85CCCCC8)[ClH]4)ccc9ccccc39 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H06 compound treatment 320.0 -470.0 -1.04 340.0 -91.9 -0.24 -0.9036 -0.8459 2081404 NCIStruc1_000144 Ic1ccc2Nc3ccc(Nc4ccc5nc6ccc(I)cc6[n+](c7ccccc7)c5c4)cc3N(c8ccccc8)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H07 compound treatment 320.0 -470.0 -1.04 360.0 -71.9 -0.18 -0.8672 -0.8196 1039603 NCIStruc1_000145 C(CP(c1ccccc1)(c2ccccc2)c3ccccc3)P(c4ccccc4)(c5ccccc5)c6ccccc6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H08 compound treatment 360.0 -430.0 -0.95 360.0 -71.9 -0.18 -0.8046 -0.8287 1101946 NCIStruc1_000146 CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H09 compound treatment 240.0 -550.0 -1.22 260.0 -172.0 -0.44 -1.1741 -0.9056 2121676 NCIStruc1_000147 C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]34C)[C@H]2CC[C@H]1C(=O)COS(=O)(=O)c5ccc(Br)cc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H10 compound treatment 140.0 -650.0 -1.44 320.0 -112.0 -0.29 -1.2217 -0.8318 2121677 NCIStruc1_000148 OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H11 compound treatment 200.0 -590.0 -1.31 320.0 -112.0 -0.29 -1.1278 -0.8424 2121678 NCIStruc1_000149 C[C@@H]1CC[C@@H]2N(C1)C[C@H]3[C@]4(O)C[C@]5(O[C@@]6(O)[C@H]7CC[C@@H]5[C@@]4(O)C[C@@H](O)[C@]3(O)[C@@]2(C)O)[C@@]7(C)CC[C@H]6O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H12 compound treatment 320.0 -470.0 -1.04 140.0 -292.0 -0.75 -1.2668 -0.987 2122548 NCIStruc1_000150 CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C=C(O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H13 compound treatment 380.0 -410.0 -0.91 320.0 -112.0 -0.29 -0.8459 -0.8874 2121679 NCIStruc1_000151 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2O[C@H]1c6ccc(O)c(O)c6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H14 compound treatment 400.0 -390.0 -0.86 180.0 -252.0 -0.65 -1.0689 -0.9898 1356 NCIStruc1_000152 Oc1cccc2cccnc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H15 compound treatment 360.0 -430.0 -0.95 160.0 -272.0 -0.7 -1.1679 -0.9883 2121680 NCIStruc1_000153 CC1=[N+]([O-])C2(Cl)([N+](=C1C)[O-])([N+](=C(C)C(=[N+]2[O-])C)[O-])P(c3ccccc3)(c4ccccc4)c5ccccc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H16 compound treatment 320.0 -470.0 -1.04 340.0 -91.9 -0.24 -0.9036 -0.8459 1008260 NCIStruc1_000154 Oc1ccc2ccccc2c1Cc3c(O)ccc4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H17 compound treatment 320.0 -470.0 -1.04 520.0 88.1 0.23 -0.5766 -0.5409 2121681 NCIStruc1_000155 COc1ccc(C[C@H]2N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(cc5)[C@@H](O)[C@H](N(C)C(=O)[C@@H](C)NC2=O)C(=O)N3C)c4)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H18 compound treatment 260.0 -530.0 -1.17 420.0 -11.9 -0.03 -0.8522 -0.7252 1009856 NCIStruc1_000156 CCC(C)(C)c1ccc(Oc2cccc(c2)C(=O)O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H19 compound treatment 320.0 -470.0 -1.04 220.0 -212.0 -0.54 -1.1215 -0.9541 2121682 NCIStruc1_000157 OC(=O)/C=C/C(=O)Nc1ncn[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H20 compound treatment 5260.0 4470.0 9.9 320.0 -112.0 -0.29 6.7953 0.6863 1007183 NCIStruc1_000158 CC(C)(C)CC(C)(C)c1ccc(O)c(C[N+](C)(C)[O-])c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H21 compound treatment 440.0 -350.0 -0.78 400.0 -31.9 -0.08 -0.6067 -0.7774 2117832 NCIStruc1_000159 COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6NCCc7cc8Oc1c(Oc8cc67)c32)ccc5OC)cc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H22 compound treatment 360.0 -430.0 -0.95 360.0 -71.9 -0.18 -0.8046 -0.8287 2121683 NCIStruc1_000160 OCCCC(=O)Nc1ccc2ccccc2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H23 mock treatment 400.0 -390.0 -0.86 160.0 -272.0 -0.7 -1.1052 -0.9944 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 H24 mock treatment 400.0 -390.0 -0.86 140.0 -292.0 -0.75 -1.1416 -0.9975 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I01 mock treatment 1040.0 250.0 0.55 360.0 -71.9 -0.18 0.2602 0.4466 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I02 mock treatment 760.0 -30.5 -0.07 360.0 -71.9 -0.18 -0.1783 -0.9069 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I03 compound treatment 680.0 -110.0 -0.24 460.0 28.1 0.07 -0.1219 -0.4779 1008686 NCIStruc1_000161 OC(=O)c1cncc(c1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I04 compound treatment 760.0 -30.5 -0.07 400.0 -31.9 -0.08 -0.1056 -0.9954 1001884 NCIStruc1_000162 N[C@@H](CCP(=O)(O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I05 compound treatment 180.0 -610.0 -1.35 440.0 8.13 0.02 -0.9411 -0.6961 1021609 NCIStruc1_000163 Cc1ccc(CCCC(=O)O)cc1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I06 compound treatment 580.0 -210.0 -0.47 340.0 -91.9 -0.24 -0.4964 -0.9503 2121684 NCIStruc1_000164 N[C@H](CO)C(=O)NCC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I07 compound treatment 120.0 -670.0 -1.48 380.0 -51.9 -0.13 -1.1441 -0.7675 2121685 NCIStruc1_000165 C/C(=N\NC(=S)N)/c1ccc[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I08 compound treatment 1300.0 510.0 1.13 340.0 -91.9 -0.24 0.631 0.5474 2117431 NCIStruc1_000166 CC(=O)CSCc1ccccn1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I09 compound treatment 220.0 -570.0 -1.26 380.0 -51.9 -0.13 -0.9875 -0.7774 2121686 NCIStruc1_000167 NCC[C@H](N)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I10 compound treatment 540.0 -250.0 -0.55 460.0 28.1 0.07 -0.3411 -0.6099 1068926 NCIStruc1_000168 CC(C)CNC(=N)NC(=N)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I11 compound treatment 220.0 -570.0 -1.26 260.0 -172.0 -0.44 -1.2055 -0.9008 1025727 NCIStruc1_000169 Oc1ncc(C(=O)CN=[N+]=[N-])c(O)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I12 compound treatment 260.0 -530.0 -1.17 320.0 -112.0 -0.29 -1.0338 -0.8549 2121687 NCIStruc1_000170 NC(=O)NOC[C@@H]1NC(=O)NC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I13 compound treatment 320.0 -470.0 -1.04 260.0 -172.0 -0.44 -1.0489 -0.927 1029017 NCIStruc1_000171 C(Cc1ccccn1)Nc2ccccn2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I14 compound treatment 320.0 -470.0 -1.04 420.0 -11.9 -0.03 -0.7583 -0.7275 2996 NCIStruc1_000172 O[C@@H]([C@H](O)C(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I15 compound treatment 200.0 -590.0 -1.31 640.0 208.0 0.53 -0.5466 -0.3869 2121688 NCIStruc1_000173 NNC(=O)[C@@H](O)[C@H](O)C(=O)NN 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I16 compound treatment 760.0 -30.5 -0.07 320.0 -112.0 -0.29 -0.2509 -0.85 2121689 NCIStruc1_000174 CS[C@@H](CC(=O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I17 compound treatment 180.0 -610.0 -1.35 380.0 -51.9 -0.13 -1.0501 -0.7731 1034971 NCIStruc1_000175 N=c1[nH]c(cs1)c2cccs2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I18 compound treatment 480.0 -310.0 -0.69 360.0 -71.9 -0.18 -0.6167 -0.8663 2121690 NCIStruc1_000176 N[C@H](CC(=O)N)c1nnn[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I19 compound treatment 120.0 -670.0 -1.48 400.0 -31.9 -0.08 -1.1078 -0.745 1049347 NCIStruc1_000177 OC(=O)CCC(=O)c1ccc[nH]1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I20 compound treatment 200.0 -590.0 -1.31 320.0 -112.0 -0.29 -1.1278 -0.8424 2121691 NCIStruc1_000178 COc1ccc(/C=N/NC(=O)O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I21 compound treatment 360.0 -430.0 -0.95 360.0 -71.9 -0.18 -0.8046 -0.8287 1048557 NCIStruc1_000179 Cc1nnc2ccccc2c1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I22 compound treatment 640.0 -150.0 -0.33 460.0 28.1 0.07 -0.1845 -0.5412 2121692 NCIStruc1_000180 C[C@@H](CSC(=N)N)C(=O)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I23 mock treatment 380.0 -410.0 -0.91 380.0 -51.9 -0.13 -0.737 -0.8022 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 I24 mock treatment 500.0 -290.0 -0.64 440.0 8.13 0.02 -0.4401 -0.6838 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J01 mock treatment 1080.0 290.0 0.64 320.0 -112.0 -0.29 0.2501 0.356 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J02 mock treatment 1180.0 390.0 0.86 380.0 -51.9 -0.13 0.5157 0.5909 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J03 compound treatment 880.0 89.5 0.2 320.0 -112.0 -0.29 -0.063 -0.1805 2121693 NCIStruc1_000181 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@@]43C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]2(O)CC[C@@H]1C6=CCOC6=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J04 compound treatment 500.0 -290.0 -0.64 560.0 128.0 0.33 -0.2221 -0.3074 1104613 NCIStruc1_000182 Clc1ccc2c(ncnc2c1)N3CCC(CCC4CCN(CC4)c5ncnc6cc(Cl)ccc56)CC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J05 compound treatment 700.0 -90.5 -0.2 320.0 -112.0 -0.29 -0.3449 -0.9845 2121694 NCIStruc1_000183 Cc1ccc(cc1C)[C@@]2(C)CC/C(=N\N=C\3/CC[C@](C)(c4ccc(C)c(C)c4)c5cc(C)c(C)cc35)/c6cc(C)c(C)cc62 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J06 compound treatment 220.0 -570.0 -1.26 360.0 -71.9 -0.18 -1.0238 -0.8019 NCIStruc1_000184 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J07 compound treatment 1100.0 310.0 0.69 400.0 -31.9 -0.08 0.4268 0.6182 2121696 NCIStruc1_000185 OC(=O)[C@H]1[C@@H](C(=O)Nc2ccc-3c(Cc4ccccc43)c2)[C@@]5(Cl)C(=C(Cl)[C@]1(Cl)C5(Cl)Cl)Cl 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J08 compound treatment 220.0 -570.0 -1.26 480.0 48.1 0.12 -0.8059 -0.6349 2121697 NCIStruc1_000186 CN(C)CN1C(=O)[C@@H]2[C@H]([C@@H]3C=C[C@H]2[C@H]4[C@@H]5[C@H]([C@H]43)C(=O)N(CN6CCN(C)CC6)C5=O)C1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J09 compound treatment 420.0 -370.0 -0.82 580.0 148.0 0.38 -0.3111 -0.344 3186836 NCIStruc1_000187 C[C@]12C[C@H](O)[C@@H]3[C@H](CCCC3(C)C)[C@H]2CC[C@H]1C4=CSCN4.OS(=O)(=O)c1ccc(Br)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J10 compound treatment 2060.0 1270.0 2.81 140.0 -292.0 -0.75 1.4577 0.501 2121699 NCIStruc1_000188 CC(C)(CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J11 compound treatment 540.0 -250.0 -0.55 380.0 -51.9 -0.13 -0.4864 -0.8527 3065564 NCIStruc1_000189 CC(=C)C(=C)Br.CC1=C(Br)C(=O)C(=C(Br)C1=O)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J12 compound treatment 420.0 -370.0 -0.82 180.0 -252.0 -0.65 -1.0376 -0.9931 2121701 NCIStruc1_000190 O[C@H]1CO[C@H](OCc2ccccc2)[C@@H](O)[C@@H]1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J13 compound treatment 340.0 -450.0 -1.0 320.0 -112.0 -0.29 -0.9086 -0.8752 2121702 NCIStruc1_000191 OCc1cc[n+](cc1)[Pt](Cl)(Cl)(Cl)(Cl)[n+]2ccc(CO)cc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J14 compound treatment 320.0 -470.0 -1.04 320.0 -112.0 -0.29 -0.9399 -0.8697 1869 NCIStruc1_000192 c1cnc2c(c1)ccc3cccnc32 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J15 compound treatment 580.0 -210.0 -0.47 260.0 -172.0 -0.44 -0.6418 -0.9996 2121703 NCIStruc1_000193 OC(=O)c1cc[n+](cc1)[Pt](Cl)(Cl)(Cl)(Cl)[n+]2ccc(cc2)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J16 compound treatment 440.0 -350.0 -0.78 340.0 -91.9 -0.24 -0.7157 -0.8822 2121704 NCIStruc1_000194 O[C@@H]([C@H]1C[C@@H]2CCN1C[C@H]2C=C)c3ccnc4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J17 compound treatment 320.0 -470.0 -1.04 380.0 -51.9 -0.13 -0.8309 -0.7911 2121705 NCIStruc1_000195 COc1ccc(C[C@H]2N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H](N(C)C(=O)[C@@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J18 compound treatment 400.0 -390.0 -0.86 240.0 -192.0 -0.49 -0.9599 -0.9645 1009943 NCIStruc1_000196 O=C(Nc1cccc2ccccc12)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J19 compound treatment 680.0 -110.0 -0.24 360.0 -71.9 -0.18 -0.3035 -0.9904 2121706 NCIStruc1_000197 COC(=O)c1c(C)ccc2c(O)c3C(=O)c4c(O)cc5c(O[C@]6(C)O[C@@]5(C)[C@H](O)[C@H]([C@@H]6O)N(C)C)c4C(=O)c3cc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J20 compound treatment 560.0 -230.0 -0.51 260.0 -172.0 -0.44 -0.6731 -0.9974 1007334 NCIStruc1_000198 CC(C)c1cc(CN2CCCCC2)c(C)cc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J21 compound treatment 320.0 -470.0 -1.04 380.0 -51.9 -0.13 -0.8309 -0.7911 2121707 NCIStruc1_000199 OS(=O)(=O)c1ccc2O[Zn-2]3(Oc4ccc(c5ccc[n+]3c45)S(=O)(=O)O)[n+]6cccc1c26 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J22 compound treatment 560.0 -230.0 -0.51 480.0 48.1 0.12 -0.2735 -0.5208 2121708 NCIStruc1_000200 OC(=O)C[C@H](Sc1ccccc1)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J23 mock treatment 680.0 -110.0 -0.24 320.0 -112.0 -0.29 -0.3762 -0.9968 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 J24 mock treatment 440.0 -350.0 -0.78 320.0 -112.0 -0.29 -0.752 -0.9086 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K01 mock treatment 880.0 89.5 0.2 260.0 -172.0 -0.44 -0.172 -0.3554 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K02 mock treatment 740.0 -50.5 -0.11 380.0 -51.9 -0.13 -0.1733 -0.9962 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K03 compound treatment 540.0 -250.0 -0.55 420.0 -11.9 -0.03 -0.4138 -0.7449 1008264 NCIStruc1_000201 OC(=O)CCSCc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K04 compound treatment 540.0 -250.0 -0.55 320.0 -112.0 -0.29 -0.5954 -0.9531 1021089 NCIStruc1_000202 OC(=O)CNC(=N)Cc1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K05 compound treatment 220.0 -570.0 -1.26 500.0 68.1 0.17 -0.7695 -0.6034 1021761 NCIStruc1_000203 Sc1nc(S)c2[nH]c(=O)[nH]c2n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K06 compound treatment 360.0 -430.0 -0.95 260.0 -172.0 -0.44 -0.9862 -0.9388 2121709 NCIStruc1_000204 N[C@@H](Cc1ccccc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K07 compound treatment 220.0 -570.0 -1.26 420.0 -11.9 -0.03 -0.9148 -0.724 1919498 NCIStruc1_000205 N(/N=C/c1cccnc1)c2ccccn2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K08 compound treatment 220.0 -570.0 -1.26 360.0 -71.9 -0.18 -1.0238 -0.8019 2121710 NCIStruc1_000206 Oc1nnc(S)c(O)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K09 compound treatment 260.0 -530.0 -1.17 240.0 -192.0 -0.49 -1.1791 -0.9256 1028516 NCIStruc1_000207 COC(=O)c1cc(O)nc(O)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K10 compound treatment 140.0 -650.0 -1.44 140.0 -292.0 -0.75 -1.5487 -0.9537 1067644 NCIStruc1_000208 OCCOc1cccc(c1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K11 compound treatment 380.0 -410.0 -0.91 380.0 -51.9 -0.13 -0.737 -0.8022 1027374 NCIStruc1_000209 OC(=O)c1cc(O)nc(S)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K12 compound treatment 200.0 -590.0 -1.31 320.0 -112.0 -0.29 -1.1278 -0.8424 2080648 NCIStruc1_000210 CC1=C(/C=C/C(=O)O)C(C)(C)CCC1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K13 compound treatment 580.0 -210.0 -0.47 180.0 -252.0 -0.65 -0.7871 -0.987 2121711 NCIStruc1_000211 CSCC[C@H](N(C)C)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K14 compound treatment 640.0 -150.0 -0.33 340.0 -91.9 -0.24 -0.4025 -0.9857 1075487 NCIStruc1_000212 C(Cc1ccncc1)N2CCCCC2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K15 compound treatment 200.0 -590.0 -1.31 320.0 -112.0 -0.29 -1.1278 -0.8424 3186841 NCIStruc1_000213 CCCN.OC(=O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K16 compound treatment 560.0 -230.0 -0.51 360.0 -71.9 -0.18 -0.4914 -0.9055 1094883 NCIStruc1_000214 C(Cc1nnn[nH]1)c2nnn[nH]2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K17 compound treatment 320.0 -470.0 -1.04 340.0 -91.9 -0.24 -0.9036 -0.8459 1034844 NCIStruc1_000215 OC(=O)CSSCC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K18 compound treatment 260.0 -530.0 -1.17 260.0 -172.0 -0.44 -1.1428 -0.9107 1027586 NCIStruc1_000216 OC(=O)Cc1nc[nH]c1C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K19 compound treatment 520.0 -270.0 -0.6 320.0 -112.0 -0.29 -0.6267 -0.9434 1049517 NCIStruc1_000217 OC(=O)CNC(=O)c1ccccc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K20 compound treatment 460.0 -330.0 -0.73 320.0 -112.0 -0.29 -0.7207 -0.9166 1002038 NCIStruc1_000218 CC(C)N(CC(=O)O)CC(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K21 compound treatment 520.0 -270.0 -0.6 340.0 -91.9 -0.24 -0.5904 -0.9171 1058252 NCIStruc1_000219 Cc1nc(N)nc2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K22 compound treatment 560.0 -230.0 -0.51 320.0 -112.0 -0.29 -0.5641 -0.9631 2117592 NCIStruc1_000220 N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K23 mock treatment 680.0 -110.0 -0.24 400.0 -31.9 -0.08 -0.2309 -0.895 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 K24 mock treatment 580.0 -210.0 -0.47 440.0 8.13 0.02 -0.3148 -0.6748 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L01 mock treatment 960.0 170.0 0.38 180.0 -252.0 -0.65 -0.192 -0.2567 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L02 mock treatment 820.0 29.5 0.07 160.0 -272.0 -0.7 -0.4476 -0.6381 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L03 compound treatment 880.0 89.5 0.2 340.0 -91.9 -0.24 -0.0267 -0.0866 1044422 NCIStruc1_000221 O=C(Nc1ccc(Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)c5C(=O)c6ccccc6C(=O)c15)c7ccccc7 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L04 compound treatment 1040.0 250.0 0.55 260.0 -172.0 -0.44 0.0785 0.111 2121712 NCIStruc1_000222 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L05 compound treatment 960.0 170.0 0.38 320.0 -112.0 -0.29 0.0622 0.1317 2121713 NCIStruc1_000223 Nc1[n+](cnc2[nH]cnc12)[Pt](Cl)(Cl)(Cl)(Cl)[n+]3cnc4[nH]cnc4c3N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L06 compound treatment 680.0 -110.0 -0.24 540.0 108.0 0.28 0.0234 0.0632 2121714 NCIStruc1_000224 OC(=O)c1ccc2C(=O)O[Pt-2]3(N[C@@H]4CCCC[C@H]4N3)OC(=O)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L07 compound treatment 240.0 -550.0 -1.22 220.0 -212.0 -0.54 -1.2468 -0.934 3186842 NCIStruc1_000225 CC(C)c1ccc(O)c(=O)cc1.CC(C)c1ccc(O)c(=O)c(O)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L08 compound treatment 560.0 -230.0 -0.51 320.0 -112.0 -0.29 -0.5641 -0.9631 2121715 NCIStruc1_000226 OC1=C2Nc3ccc(cc3N=C2O[C@@H]1c4ccc(cc4)[C@@H]5OC6=Nc7cc(ccc7NC6=C5O)[N+](=O)[O-])[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L09 compound treatment 420.0 -370.0 -0.82 340.0 -91.9 -0.24 -0.747 -0.875 2121716 NCIStruc1_000227 CN1C[C@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(C)O[C@@]6(O)[C@H]7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L10 compound treatment 720.0 -70.5 -0.16 260.0 -172.0 -0.44 -0.4225 -0.9023 2121717 NCIStruc1_000228 N[C@@H](Cc1n[nH]c2ccccc12)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L11 compound treatment 360.0 -430.0 -0.95 420.0 -11.9 -0.03 -0.6956 -0.7294 2121718 NCIStruc1_000229 Oc1ccc2c(Oc3cc(O)ccc3C42OC(=O)c5c4c(c6ccccc6)c(c7ccccc7)c(c8ccccc8)c5c9ccccc9)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L12 compound treatment 500.0 -290.0 -0.64 200.0 -232.0 -0.6 -0.876 -0.9993 1003732 NCIStruc1_000230 OS(=O)(=O)CCCc1cccc2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L13 compound treatment 420.0 -370.0 -0.82 320.0 -112.0 -0.29 -0.7833 -0.9011 2121719 NCIStruc1_000231 Oc1c(Cl)cc(cc1Cl)C(C(c2cc(Cl)c(O)c(Cl)c2)c3cc(Cl)c(O)c(Cl)c3)c4cc(Cl)c(O)c(Cl)c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L14 compound treatment 2040.0 1250.0 2.77 200.0 -232.0 -0.6 1.5354 0.5425 2121720 NCIStruc1_000232 CC(C)(C)CO[S+]([O-])OCC(C)(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L15 compound treatment 440.0 -350.0 -0.78 380.0 -51.9 -0.13 -0.643 -0.8166 2121721 NCIStruc1_000233 CC1=C(C)[N+](=[Co]2(C)([NH+]1[O-])([N+](=C(C)C(=[N+]2[O-])C)[O-])[Co]34(=[N+]([O-])C(=C(C)[NH+]3[O-])C)(C)[N+](=C(C)C(=[N+]4[O-])C)[O-])[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L16 compound treatment 200.0 -590.0 -1.31 180.0 -252.0 -0.65 -1.3821 -0.9474 1008456 NCIStruc1_000234 OC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L17 compound treatment 340.0 -450.0 -1.0 320.0 -112.0 -0.29 -0.9086 -0.8752 2121722 NCIStruc1_000235 CO[C@H]1/C=C/C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]3(C)O[C@H]3[C@@H](C)[C@H]4C[C@]1(O)NC(=O)O4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L18 compound treatment 520.0 -270.0 -0.6 360.0 -71.9 -0.18 -0.5541 -0.884 1010014 NCIStruc1_000236 NC(=O)Nc1nc(n[nH]1)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L19 compound treatment 520.0 -270.0 -0.6 320.0 -112.0 -0.29 -0.6267 -0.9434 2121723 NCIStruc1_000237 C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L20 compound treatment 520.0 -270.0 -0.6 320.0 -112.0 -0.29 -0.6267 -0.9434 2121724 NCIStruc1_000238 NC(=N)[C@H](N=Nc1ccccc1)C(=O)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L21 compound treatment 360.0 -430.0 -0.95 380.0 -51.9 -0.13 -0.7683 -0.7982 2080672 NCIStruc1_000239 OC(=O)c1cc(nc2ccc(Cl)cc12)c3ccc(cc3)c4ccc(cc4)c5cc(C(=O)O)c6cc(Cl)ccc6n5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L22 compound treatment 480.0 -310.0 -0.69 400.0 -31.9 -0.08 -0.5441 -0.7858 1007339 NCIStruc1_000240 O=C(NNS(=O)(=O)c1ccccc1)c2cccnc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L23 mock treatment 520.0 -270.0 -0.6 320.0 -112.0 -0.29 -0.6267 -0.9434 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 L24 mock treatment 420.0 -370.0 -0.82 200.0 -232.0 -0.6 -1.0013 -0.9876 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M01 mock treatment 1340.0 550.0 1.22 360.0 -71.9 -0.18 0.7299 0.593 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M02 mock treatment 980.0 190.0 0.42 320.0 -112.0 -0.29 0.0936 0.1839 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M03 compound treatment 140.0 -650.0 -1.44 400.0 -31.9 -0.08 -1.0764 -0.7461 1005790 NCIStruc1_000241 CC(C)(C)c1cc(O)ccc1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M04 compound treatment 1300.0 510.0 1.13 640.0 208.0 0.53 1.1759 0.9418 1033050 NCIStruc1_000242 Cc1cc2c(O)nc(N)nc2nc1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M05 compound treatment 960.0 170.0 0.38 480.0 48.1 0.12 0.3529 0.8928 2121725 NCIStruc1_000243 C[C@@H](CNC(=O)N)NC(=O)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M06 compound treatment 640.0 -150.0 -0.33 240.0 -192.0 -0.49 -0.5841 -0.9818 2121726 NCIStruc1_000244 N[C@@H](Cc1nnn[nH]1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M07 compound treatment 160.0 -630.0 -1.4 320.0 -112.0 -0.29 -1.1904 -0.8351 1016486 NCIStruc1_000245 CCC(=O)OCN1C(=O)C=CC1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M08 compound treatment 420.0 -370.0 -0.82 320.0 -112.0 -0.29 -0.7833 -0.9011 1056220 NCIStruc1_000246 CC(C)C(O)(C(C)C)C(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M09 compound treatment 540.0 -250.0 -0.55 240.0 -192.0 -0.49 -0.7407 -0.9983 1022163 NCIStruc1_000247 CN(C)CCNc1ccccn1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M10 compound treatment 360.0 -430.0 -0.95 320.0 -112.0 -0.29 -0.8773 -0.8811 2126 NCIStruc1_000248 N[C@@H](CP(=O)(O)O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M11 compound treatment 480.0 -310.0 -0.69 180.0 -252.0 -0.65 -0.9436 -0.9995 1028569 NCIStruc1_000249 Cc1ncn(c1C)c2ccccc2O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M12 compound treatment 400.0 -390.0 -0.86 400.0 -31.9 -0.08 -0.6693 -0.7706 2121727 NCIStruc1_000250 C(Nc1ncn[nH]1)c2cccnc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M13 compound treatment 1600.0 810.0 1.79 200.0 -232.0 -0.6 0.8464 0.4481 2121728 NCIStruc1_000251 CC(=NNc1ncnc2[nH]cnc12)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M14 compound treatment 400.0 -390.0 -0.86 360.0 -71.9 -0.18 -0.742 -0.8392 2081011 NCIStruc1_000252 CN(C)Cc1nsc(n1)N(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M15 compound treatment 560.0 -230.0 -0.51 340.0 -91.9 -0.24 -0.5278 -0.9386 1038019 NCIStruc1_000253 CN1CCN(CCCN)CC1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M16 compound treatment 260.0 -530.0 -1.17 420.0 -11.9 -0.03 -0.8522 -0.7252 2080829 NCIStruc1_000254 OCC1(CO)N2CCC(CC2)C1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M17 compound treatment 360.0 -430.0 -0.95 320.0 -112.0 -0.29 -0.8773 -0.8811 1044282 NCIStruc1_000255 Clc1ccc(NC(=N)NC#N)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M18 compound treatment 240.0 -550.0 -1.22 540.0 108.0 0.28 -0.6656 -0.5324 1101608 NCIStruc1_000256 NC1(CCCCC1)P(=O)(O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M19 compound treatment 400.0 -390.0 -0.86 260.0 -172.0 -0.44 -0.9236 -0.9513 1044969 NCIStruc1_000257 Oc1cccnc1CN2CCCCC2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M20 compound treatment 460.0 -330.0 -0.73 400.0 -31.9 -0.08 -0.5754 -0.7813 2080294 NCIStruc1_000258 OCCCN=C1CCCCC1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M21 compound treatment 700.0 -90.5 -0.2 340.0 -91.9 -0.24 -0.3085 -0.9967 1057474 NCIStruc1_000259 CN(C)CCSS(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M22 compound treatment 460.0 -330.0 -0.73 380.0 -51.9 -0.13 -0.6117 -0.8223 1070281 NCIStruc1_000260 Nc1nc(O)c2[nH]cnc2[n+]1[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M23 mock treatment 980.0 190.0 0.42 320.0 -112.0 -0.29 0.0936 0.1839 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 M24 mock treatment 640.0 -150.0 -0.33 320.0 -112.0 -0.29 -0.4388 -0.9973 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N01 mock treatment 860.0 69.5 0.15 400.0 -31.9 -0.08 0.051 0.2923 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N02 mock treatment 880.0 89.5 0.2 240.0 -192.0 -0.49 -0.2083 -0.3922 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N03 compound treatment 1020.0 230.0 0.51 360.0 -71.9 -0.18 0.2288 0.4232 2117289 NCIStruc1_000261 Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c4cc5ccccc5c6ccccc46)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N04 compound treatment 860.0 69.5 0.15 340.0 -91.9 -0.24 -0.058 -0.2059 1012687 NCIStruc1_000262 Cc1cc(O)nc(NC(=N)Nc2ccc(Cl)cc2)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N05 compound treatment 900.0 110.0 0.24 320.0 -112.0 -0.29 -0.0317 -0.0843 2121729 NCIStruc1_000263 CC1=C(C)[N+](=[Cu]2([NH+]1[O-])([N+](=C(C)C(=[N+]2[O-])C)[O-])[Cu]34(=[N+]([O-])C(=C(C)[NH+]3[O-])C)[N+](=C(C)C(=[N+]4[O-])C)[O-])[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N06 compound treatment 680.0 -110.0 -0.24 320.0 -112.0 -0.29 -0.3762 -0.9968 2121730 NCIStruc1_000264 C[C@@H](O)[C@H](O)C(=O)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N07 compound treatment 960.0 170.0 0.38 180.0 -252.0 -0.65 -0.192 -0.2567 1000081 NCIStruc1_000265 COc1cc2CCN(C)[C@@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N08 compound treatment 700.0 -90.5 -0.2 440.0 8.13 0.02 -0.1269 -0.63 2081323 NCIStruc1_000266 CC(C)(C)c1ccc(cc1)c2nnc(SCc3ccc(Cl)cc3)n2c4cccc(c4)C(F)(F)F 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N09 compound treatment 860.0 69.5 0.15 420.0 -11.9 -0.03 0.0873 0.5562 2121731 NCIStruc1_000267 C[C@@H]1CC[C@]2(CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)C[C@H](O)[C@@H](O)[C@@](C)(CO)[C@H]5[C@H](O)C[C@@]43C)[C@@H]2[C@H]1C)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N10 compound treatment 740.0 -50.5 -0.11 320.0 -112.0 -0.29 -0.2822 -0.9153 2121732 NCIStruc1_000268 CC(C)(N)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N11 compound treatment 700.0 -90.5 -0.2 260.0 -172.0 -0.44 -0.4539 -0.9361 2080226 NCIStruc1_000269 OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C2c3ccc(O)cc3Oc4cc(O)ccc24 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N12 compound treatment 380.0 -410.0 -0.91 260.0 -172.0 -0.44 -0.9549 -0.945 1003801 NCIStruc1_000270 Cc1cc(O)c(cc1O)c2cc(O)c(C)cc2O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N13 compound treatment 760.0 -30.5 -0.07 340.0 -91.9 -0.24 -0.2146 -0.8743 2121733 NCIStruc1_000271 COC(=O)[C@]12Oc3ccc(c(O)c3C(=O)C2=C(O)C[C@H](C)[C@H]1O)c4ccc5O[C@@]6([C@@H](O)[C@@H](C)CC(=C6C(=O)c5c4O)O)C(=O)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N14 compound treatment 320.0 -470.0 -1.04 220.0 -212.0 -0.54 -1.1215 -0.9541 2121734 NCIStruc1_000272 OC(=O)c1nc([nH]c1C=O)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N15 compound treatment 440.0 -350.0 -0.78 220.0 -212.0 -0.54 -0.9336 -0.9849 2121735 NCIStruc1_000273 COc1cc(O)c2c(O)c3C(=O)[C@@]4(O)C(=O)C(=C(O)C[C@]4(O)[C@@H](O)c3c5C[C@]6(C(=CCCC6(C)C)C)c1c52)C(=O)N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N16 compound treatment 340.0 -450.0 -1.0 240.0 -192.0 -0.49 -1.0539 -0.9472 1008467 NCIStruc1_000274 OC(=O)C(Cc1ccccc1)Cc2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N17 compound treatment 260.0 -530.0 -1.17 380.0 -51.9 -0.13 -0.9249 -0.7823 2121736 NCIStruc1_000275 C[C@H]1O[C@@H](CC(=O)O)Cc2c(O)c3C(=O)C(=CC(=O)c3c(O)c12)C4=CC(=O)c5c(O)c6[C@@H](C)O[C@@H](CC(=O)O)Cc6c(O)c5C4=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N18 compound treatment 380.0 -410.0 -0.91 400.0 -31.9 -0.08 -0.7006 -0.7677 1010676 NCIStruc1_000276 O[As](=O)(O)Cc1ccc(cc1)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N19 compound treatment 740.0 -50.5 -0.11 320.0 -112.0 -0.29 -0.2822 -0.9153 1058828 NCIStruc1_000277 Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc32)c4cc(C)c(O)c(c4)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N20 compound treatment 580.0 -210.0 -0.47 260.0 -172.0 -0.44 -0.6418 -0.9996 2121737 NCIStruc1_000278 CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N21 compound treatment 540.0 -250.0 -0.55 420.0 -11.9 -0.03 -0.4138 -0.7449 1036434 NCIStruc1_000279 ClCC[N+]1(CC[N+]2(CCCl)CC1)C2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N22 compound treatment 660.0 -130.0 -0.29 420.0 -11.9 -0.03 -0.2259 -0.7774 2121738 NCIStruc1_000280 OC[C@@H](O)CNc1ncnc2ccccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N23 mock treatment 760.0 -30.5 -0.07 520.0 88.1 0.23 0.1123 0.4756 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 N24 mock treatment 500.0 -290.0 -0.64 400.0 -31.9 -0.08 -0.5127 -0.7907 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O01 mock treatment 1020.0 230.0 0.51 320.0 -112.0 -0.29 0.1562 0.2675 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O02 mock treatment 1540.0 750.0 1.66 440.0 8.13 0.02 1.1884 0.7159 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O03 compound treatment 500.0 -290.0 -0.64 400.0 -31.9 -0.08 -0.5127 -0.7907 2081471 NCIStruc1_000281 CCCNc1ncnc2[nH]ncc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O04 compound treatment 1160.0 370.0 0.82 560.0 128.0 0.33 0.8113 0.9199 2121739 NCIStruc1_000282 N[C@@H](Cc1ccnnc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O05 compound treatment 1100.0 310.0 0.69 260.0 -172.0 -0.44 0.1725 0.2116 1012715 NCIStruc1_000283 Oc1ccc(nn1)c2ccccc2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O06 compound treatment 1340.0 550.0 1.22 400.0 -31.9 -0.08 0.8026 0.658 2121740 NCIStruc1_000284 N[C@@H](CNC(=N)N)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O07 compound treatment 960.0 170.0 0.38 320.0 -112.0 -0.29 0.0622 0.1317 1020603 NCIStruc1_000285 CC(C)CN(CC#N)CC(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O08 compound treatment 780.0 -10.5 -0.02 380.0 -51.9 -0.13 -0.1106 -0.8179 2121741 NCIStruc1_000286 O/N=C(/Cc1c[nH]nn1)\C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O09 compound treatment 1980.0 1190.0 2.63 500.0 68.1 0.17 1.9863 0.7524 1023693 NCIStruc1_000287 OCCNC(=O)c1ccc(Cl)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O10 compound treatment 1040.0 250.0 0.55 320.0 -112.0 -0.29 0.1875 0.3011 2121742 NCIStruc1_000288 C/C(=N\O)/[C@@H]1C[C@H](CC(=O)O)C1(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O11 compound treatment 660.0 -130.0 -0.29 360.0 -71.9 -0.18 -0.3349 -0.9766 1028999 NCIStruc1_000289 CN(C)CCCc1cccnc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O12 compound treatment 880.0 89.5 0.2 400.0 -31.9 -0.08 0.0823 0.3836 2121743 NCIStruc1_000290 C(CN1CCCCC1)[C@@H]2CCCCN2 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O13 compound treatment 1160.0 370.0 0.82 240.0 -192.0 -0.49 0.2301 0.2409 1031733 NCIStruc1_000291 OC(=O)C1CC2(C1)CC(C2)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O14 compound treatment 760.0 -30.5 -0.07 360.0 -71.9 -0.18 -0.1783 -0.9069 2121744 NCIStruc1_000292 OC(=O)[C@H](Cc1c[nH]cn1)NC=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O15 compound treatment 980.0 190.0 0.42 320.0 -112.0 -0.29 0.0936 0.1839 2081525 NCIStruc1_000293 CC(=C)CN(CC#N)CC(=C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O16 compound treatment 780.0 -10.5 -0.02 320.0 -112.0 -0.29 -0.2196 -0.7617 2121745 NCIStruc1_000294 C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O17 compound treatment 400.0 -390.0 -0.86 320.0 -112.0 -0.29 -0.8146 -0.894 2121746 NCIStruc1_000295 O[C@H](C(=O)O)c1ccc(F)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O18 compound treatment 900.0 110.0 0.24 260.0 -172.0 -0.44 -0.1407 -0.2793 2121747 NCIStruc1_000296 CC(C)[C@](N)(C(=O)O)c1ccccc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O19 compound treatment 720.0 -70.5 -0.16 440.0 8.13 0.02 -0.0956 -0.6071 1044291 NCIStruc1_000297 NCCNCC1CCNCC1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O20 compound treatment 780.0 -10.5 -0.02 460.0 28.1 0.07 0.0347 0.4571 1052973 NCIStruc1_000298 Nc1nc(N)nc(CC(=O)O)n1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O21 compound treatment 1120.0 330.0 0.73 360.0 -71.9 -0.18 0.3854 0.5121 2121748 NCIStruc1_000299 C[C@@H](SCc1ccccc1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O22 compound treatment 1220.0 430.0 0.95 540.0 108.0 0.28 0.869 0.877 2121749 NCIStruc1_000300 N[C@@H](CS(=O)CC(=O)N)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O23 mock treatment 1120.0 330.0 0.73 480.0 48.1 0.12 0.6034 0.8153 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 O24 mock treatment 1180.0 390.0 0.86 260.0 -172.0 -0.44 0.2977 0.3073 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P01 mock treatment 960.0 170.0 0.38 500.0 68.1 0.17 0.3892 0.9396 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P02 mock treatment 460.0 -330.0 -0.73 240.0 -192.0 -0.49 -0.866 -0.9815 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P03 compound treatment 1040.0 250.0 0.55 440.0 8.13 0.02 0.4055 0.7333 2121750 NCIStruc1_000301 Brc1ccc2[C@@H]([C@@H]3c4ccccc4C(=O)c5cc(Br)ccc35)c6ccccc6C(=O)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P04 compound treatment 1200.0 410.0 0.91 400.0 -31.9 -0.08 0.5834 0.6407 2121751 NCIStruc1_000302 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P05 compound treatment 800.0 9.52 0.02 680.0 248.0 0.64 0.4656 0.7301 2121752 NCIStruc1_000303 OC[C@H]1O[C@H]([C@H]2O[Sn](O[C@@H]12)(c3ccccc3)c4ccccc4)n5ccc(=N)[nH]c5=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P06 compound treatment 980.0 190.0 0.42 320.0 -112.0 -0.29 0.0936 0.1839 2121753 NCIStruc1_000304 ONC(=O)[C@H](Cc1c[nH]c2ccccc12)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P07 compound treatment 740.0 -50.5 -0.11 440.0 8.13 0.02 -0.0643 -0.5653 2117348 NCIStruc1_000305 Nc1ccccc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P08 compound treatment 740.0 -50.5 -0.11 480.0 48.1 0.12 0.0084 0.0502 2121754 NCIStruc1_000306 CN(C)C[C@H]1CCC2=C(C(C3=C(CC[C@H](CN(C)C)C3=O)O2)c4ccc(Cl)c(Cl)c4)C1=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P09 compound treatment 720.0 -70.5 -0.16 340.0 -91.9 -0.24 -0.2772 -0.9798 3186939 NCIStruc1_000307 CCCS.Cc1ccc(cc1)S(=O)(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P10 compound treatment 860.0 69.5 0.15 400.0 -31.9 -0.08 0.051 0.2923 2121755 NCIStruc1_000308 O=C1NC(=O)[C@](Cc2ccccc2)(N1)c3cccnc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P11 compound treatment 960.0 170.0 0.38 320.0 -112.0 -0.29 0.0622 0.1317 2080269 NCIStruc1_000309 Oc1ccc(cc1c2ccccc2)C3(OC(=O)c4c3c(Cl)c(Cl)c(Cl)c4Cl)c5ccc(O)c(c5)c6ccccc6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P12 compound treatment 1040.0 250.0 0.55 320.0 -112.0 -0.29 0.1875 0.3011 2121756 NCIStruc1_000310 C[C@@H]1CCCC(CC(=O)O)(CC(=O)O)C1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P13 compound treatment 860.0 69.5 0.15 420.0 -11.9 -0.03 0.0873 0.5562 2121757 NCIStruc1_000311 O[C@@H]1[C@@H](O)[C@@](O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c4ccc(O)c(O)c4)(Oc5cc(O)cc(O)c15)c6cc(O)c(O)c(O)c6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P14 compound treatment 960.0 170.0 0.38 420.0 -11.9 -0.03 0.2439 0.6475 1005947 NCIStruc1_000312 OC(=O)CCC(=O)c1ccc(Cl)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P15 compound treatment 760.0 -30.5 -0.07 320.0 -112.0 -0.29 -0.2509 -0.85 2121758 NCIStruc1_000313 Nc1ncnc2nc([nH]c12)c3ccc(CP(c4ccccc4)(c5ccccc5)c6ccccc6)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P16 compound treatment 1200.0 410.0 0.91 400.0 -31.9 -0.08 0.5834 0.6407 1008473 NCIStruc1_000314 Cc1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P17 compound treatment 960.0 170.0 0.38 320.0 -112.0 -0.29 0.0622 0.1317 3186943 NCIStruc1_000315 CC[C@@H](O)N1CCN(CC1)[C@H](O)CC.Cl[Pt](Cl)(Cl)(Cl)(Cl)Cl 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P18 compound treatment 220.0 -570.0 -1.26 500.0 68.1 0.17 -0.7695 -0.6034 2121760 NCIStruc1_000316 C[C@@](N)(Cc1c[nH]c2ccccc12)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P19 compound treatment 800.0 9.52 0.02 320.0 -112.0 -0.29 -0.1883 -0.6535 1059904 NCIStruc1_000317 O=C1N(C(=O)c2ccccc12)c3ccc4C(=O)c5ccccc5C(=O)c4c3c6c(ccc7C(=O)c8ccccc8C(=O)c67)N9C(=O)c%10ccccc%10C9=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P20 compound treatment 1040.0 250.0 0.55 340.0 -91.9 -0.24 0.2238 0.3725 2080187 NCIStruc1_000318 CC(C)CCNc1ncnc2[nH]ncc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P21 compound treatment 960.0 170.0 0.38 320.0 -112.0 -0.29 0.0622 0.1317 2121761 NCIStruc1_000319 Cc1ccc(NC2=[O+][Ni-2]3(Oc4cc5ccccc5cc24)Oc6cc7ccccc7cc6C(=[O+]3)Nc8ccc(C)cc8C)c(C)c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P22 compound treatment 780.0 -10.5 -0.02 400.0 -31.9 -0.08 -0.0743 -0.8731 1012581 NCIStruc1_000320 CCCCNc1c(CN)cnc2cc(Cl)ccc12 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P23 mock treatment 780.0 -10.5 -0.02 200.0 -232.0 -0.6 -0.4376 -0.7341 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1259 P24 mock treatment 800.0 9.52 0.02 140.0 -292.0 -0.75 -0.5152 -0.6869 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A01 compound treatment 1540.0 755.0 1.67 480.0 205.0 0.53 1.5546 0.8869 2022441 DHPC1.1_006505 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCOCCOCCO)c2c(C)n(C)n(c3ccccc3)c2=O)C(=O)NCc4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A02 compound treatment 1920.0 1140.0 2.51 500.0 225.0 0.58 2.1859 0.8476 2021064 DHPC1.1_006506 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4coc5ccccc5c4=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A03 compound treatment 2160.0 1380.0 3.04 800.0 525.0 1.35 3.1066 0.9329 DHPC1.1_006507 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A04 compound treatment 2140.0 1360.0 3.0 440.0 165.0 0.42 2.4214 0.7991 DHPC1.1_006508 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A05 compound treatment 2260.0 1480.0 3.27 460.0 185.0 0.48 2.6456 0.8015 DHPC1.1_006509 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A06 compound treatment 2260.0 1480.0 3.27 480.0 205.0 0.53 2.682 0.8106 2022522 DHPC1.1_006510 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCc5ccccc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A07 compound treatment 1600.0 815.0 1.8 460.0 185.0 0.48 1.6122 0.8638 DHPC1.1_006511 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A08 compound treatment 2060.0 1280.0 2.82 800.0 525.0 1.35 2.95 0.9428 2022577 DHPC1.1_006512 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccc3OCOc3c2)C(=O)N4CCOCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A09 compound treatment 1800.0 1020.0 2.25 640.0 365.0 0.94 2.2523 0.9248 2019660 DHPC1.1_006513 OCCOCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3coc4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A10 compound treatment 2020.0 1240.0 2.73 540.0 265.0 0.68 2.4151 0.857 DHPC1.1_006514 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A11 compound treatment 2180.0 1400.0 3.09 580.0 305.0 0.78 2.7383 0.8592 DHPC1.1_006515 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A12 compound treatment 960.0 175.0 0.39 580.0 305.0 0.78 0.828 0.9473 2022604 DHPC1.1_006516 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccsc2)C(=O)N3CCOCC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A13 compound treatment 1640.0 855.0 1.89 640.0 365.0 0.94 2.0018 0.9475 DHPC1.1_006517 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A14 compound treatment 1740.0 955.0 2.11 540.0 265.0 0.68 1.9767 0.8898 2021604 DHPC1.1_006518 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)NCc4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A15 compound treatment 1740.0 955.0 2.11 360.0 85.0 0.22 1.6498 0.776 DHPC1.1_006519 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A16 compound treatment 1720.0 935.0 2.07 560.0 285.0 0.73 1.9817 0.9024 DHPC1.1_006520 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A17 compound treatment 2240.0 1460.0 3.22 460.0 185.0 0.48 2.6143 0.8027 2020011 DHPC1.1_006521 Cc1c([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCc4ccccc4)c(=O)n(c5ccccc5)n1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A18 compound treatment 1840.0 1060.0 2.34 420.0 145.0 0.37 1.9153 0.8096 2020821 DHPC1.1_006522 Cc1c([C@H]2C[C@@H](OCCOCCO)OC(=C2)C(=O)NCc3ccccc3)c(=O)n(c4ccccc4)n1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A19 compound treatment 1860.0 1080.0 2.38 400.0 125.0 0.32 1.9103 0.7953 2019580 DHPC1.1_006523 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)N3CCOCC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A20 compound treatment 2000.0 1220.0 2.69 700.0 425.0 1.09 2.6744 0.9211 DHPC1.1_006524 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A21 compound treatment 1740.0 955.0 2.11 640.0 365.0 0.94 2.1583 0.933 2022414 DHPC1.1_006525 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCOCCOCCO)c2coc3ccccc3c2=O)C(=O)NCc4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A22 compound treatment 1600.0 815.0 1.8 640.0 365.0 0.94 1.9391 0.9535 DHPC1.1_006526 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A23 compound treatment 1480.0 695.0 1.54 420.0 145.0 0.37 1.3516 0.8536 DHPC1.1_006527 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 A24 compound treatment 1400.0 615.0 1.36 580.0 305.0 0.78 1.517 0.9655 DHPC1.1_006528 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B01 compound treatment 1600.0 815.0 1.8 320.0 45.0 0.12 1.3579 0.7509 DHPC1.1_006529 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B02 compound treatment 2080.0 1300.0 2.87 580.0 305.0 0.78 2.5817 0.8685 2020823 DHPC1.1_006530 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCCOCCO)O1)c2c(C)n(C)n(c3ccccc3)c2=O)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B03 compound treatment 2240.0 1460.0 3.22 980.0 705.0 1.81 3.5588 0.9629 DHPC1.1_006531 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B04 compound treatment 1860.0 1080.0 2.38 640.0 365.0 0.94 2.3462 0.917 2020797 DHPC1.1_006532 CN(C1CCCCC1)C(=O)C2=C[C@H](C[C@@H](OCCOCCO)O2)c3coc4ccccc4c3=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B05 compound treatment 2240.0 1460.0 3.22 540.0 265.0 0.68 2.7596 0.838 2022038 DHPC1.1_006533 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccc3OCOc3c2)C(=O)N(C)CC(OC)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B06 compound treatment 1860.0 1080.0 2.38 660.0 385.0 0.99 2.3826 0.9243 2020796 DHPC1.1_006534 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCCOCCO)O1)c2coc3ccccc3c2=O)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B07 compound treatment 1780.0 995.0 2.2 480.0 205.0 0.53 1.9304 0.8521 2023416 DHPC1.1_006535 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2ccsc2)C(=O)N(C)C3CCCCC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B08 compound treatment 2300.0 1520.0 3.35 660.0 385.0 0.99 3.0715 0.8782 2022903 DHPC1.1_006536 CCO[C@H]1OC(=C[C@H]([C@@H]1CCOCCOCCO)c2coc3ccccc23)C(=O)N(C)C4CCCCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B09 compound treatment 2020.0 1240.0 2.73 660.0 385.0 0.99 2.6331 0.9054 2019446 DHPC1.1_006537 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B10 compound treatment 1940.0 1160.0 2.56 400.0 125.0 0.32 2.0356 0.7897 2020796 DHPC1.1_006538 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCCOCCO)O1)c2coc3ccccc3c2=O)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B11 compound treatment 2100.0 1320.0 2.91 640.0 365.0 0.94 2.722 0.8898 DHPC1.1_006539 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B12 compound treatment 2240.0 1460.0 3.22 440.0 165.0 0.42 2.578 0.7933 2020851 DHPC1.1_006540 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)N(C)C3CCCCC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B13 compound treatment 1740.0 955.0 2.11 540.0 265.0 0.68 1.9767 0.8898 2019446 DHPC1.1_006541 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B14 compound treatment 2360.0 1580.0 3.49 400.0 125.0 0.32 2.6932 0.769 2021849 DHPC1.1_006542 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)N(C)CC(OC)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B15 compound treatment 1620.0 835.0 1.85 560.0 285.0 0.73 1.8251 0.9178 DHPC1.1_006543 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B16 compound treatment 1920.0 1140.0 2.51 660.0 385.0 0.99 2.4765 0.9169 DHPC1.1_006544 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B17 compound treatment 1760.0 975.0 2.16 640.0 365.0 0.94 2.1897 0.9302 DHPC1.1_006545 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B18 compound treatment 2080.0 1300.0 2.87 400.0 125.0 0.32 2.2548 0.7814 DHPC1.1_006546 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B19 compound treatment 1640.0 855.0 1.89 440.0 165.0 0.42 1.6385 0.8445 DHPC1.1_006547 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B20 compound treatment 2000.0 1220.0 2.69 520.0 245.0 0.63 2.3475 0.8496 2022687 DHPC1.1_006548 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2coc3ccccc3c2=O)C(=O)N(C)C4CCCCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B21 compound treatment 1520.0 735.0 1.63 340.0 65.0 0.17 1.269 0.7756 2019635 DHPC1.1_006549 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCOCCO)O1)c2ccsc2)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B22 compound treatment 1640.0 855.0 1.89 500.0 225.0 0.58 1.7475 0.8827 2020850 DHPC1.1_006550 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)C(C)C)OC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B23 compound treatment 1600.0 815.0 1.8 640.0 365.0 0.94 1.9391 0.9535 DHPC1.1_006551 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 B24 compound treatment 1920.0 1140.0 2.51 540.0 265.0 0.68 2.2586 0.8674 DHPC1.1_006552 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C01 compound treatment 1220.0 435.0 0.96 480.0 205.0 0.53 1.0535 0.9596 2019853 DHPC1.1_006553 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCC(CC4)N5CCCCC5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C02 compound treatment 1960.0 1180.0 2.6 340.0 65.0 0.17 1.9579 0.7509 2021068 DHPC1.1_006554 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCC(CC3)N4CCCCC4)c5coc6ccccc6c5=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C03 compound treatment 1520.0 735.0 1.63 340.0 65.0 0.17 1.269 0.7756 2020043 DHPC1.1_006555 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@H]2C[C@H](C=C(O2)C(=O)NC3CC4CCC3C4)C(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C04 compound treatment 1540.0 755.0 1.67 400.0 125.0 0.32 1.4092 0.8278 2021555 DHPC1.1_006556 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc23)C(=O)NC4CC5CCC4C5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C05 compound treatment 2100.0 1320.0 2.91 460.0 185.0 0.48 2.3951 0.8118 2019934 DHPC1.1_006557 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCC(CC3)N4CCCCC4)c5coc6ccccc56)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C06 compound treatment 1500.0 715.0 1.58 420.0 145.0 0.37 1.3829 0.8502 DHPC1.1_006558 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C07 compound treatment 2080.0 1300.0 2.87 520.0 245.0 0.63 2.4728 0.8422 2020070 DHPC1.1_006559 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@H]2C[C@H](C=C(O2)C(=O)NC3CC4CCC3C4)c5ccccc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C08 compound treatment 1280.0 495.0 1.1 360.0 85.0 0.22 0.9295 0.8316 2020502 DHPC1.1_006560 CC(=O)n1cc([C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NC3CC4CCC3C4)c5ccccc15 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C09 compound treatment 1600.0 815.0 1.8 680.0 405.0 1.04 2.0118 0.9657 2019556 DHPC1.1_006561 OCCOCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)c4cccc-5c4Cc6ccccc65 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C10 compound treatment 1120.0 335.0 0.74 380.0 105.0 0.27 0.7153 0.9062 2021851 DHPC1.1_006562 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)N4CCC(CC4)N5CCCCC5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C11 compound treatment 1860.0 1080.0 2.38 340.0 65.0 0.17 1.8013 0.7548 2023472 DHPC1.1_006563 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)NC4CC5CCC4C5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C12 compound treatment 1660.0 875.0 1.94 420.0 145.0 0.37 1.6335 0.8279 2021447 DHPC1.1_006564 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NC5CC6CCC5C6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C13 compound treatment 1600.0 815.0 1.8 520.0 245.0 0.63 1.7212 0.9005 DHPC1.1_006565 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C14 compound treatment 1600.0 815.0 1.8 420.0 145.0 0.37 1.5395 0.8354 DHPC1.1_006566 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C15 compound treatment 1620.0 835.0 1.85 480.0 205.0 0.53 1.6798 0.8737 DHPC1.1_006567 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C16 compound treatment 1020.0 235.0 0.52 460.0 185.0 0.48 0.704 0.999 2021609 DHPC1.1_006568 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)NC4CC5CCC4C5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C17 compound treatment 1320.0 535.0 1.18 340.0 65.0 0.17 0.9558 0.7989 2023201 DHPC1.1_006569 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2cn(C(=O)C)c3ccccc23)C(=O)N4CCC(CC4)N5CCCCC5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C18 compound treatment 1100.0 315.0 0.7 580.0 305.0 0.78 1.0472 0.9983 DHPC1.1_006570 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C19 compound treatment 1360.0 575.0 1.27 340.0 65.0 0.17 1.0184 0.793 2023472 DHPC1.1_006571 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)NC4CC5CCC4C5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C20 compound treatment 960.0 175.0 0.39 520.0 245.0 0.63 0.719 0.9729 2020556 DHPC1.1_006572 Cc1c([C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NC3CC4CCC3C4)c(=O)n(c5ccccc5)n1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C21 compound treatment 1360.0 575.0 1.27 320.0 45.0 0.12 0.9821 0.7681 DHPC1.1_006573 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C22 compound treatment 1800.0 1020.0 2.25 320.0 45.0 0.12 1.6711 0.7425 2020690 DHPC1.1_006574 OCCOCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)c4ccc5OCOc5c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C23 compound treatment 1600.0 815.0 1.8 380.0 105.0 0.27 1.4669 0.8039 DHPC1.1_006575 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 C24 compound treatment 1120.0 335.0 0.74 460.0 185.0 0.48 0.8606 0.9768 DHPC1.1_006576 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D01 compound treatment 2120.0 1340.0 2.96 640.0 365.0 0.94 2.7534 0.8878 2019612 DHPC1.1_006577 COc1ccc2[nH]cc(CCNC(=O)C3=C[C@@H](C[C@H](OCCOCCO)O3)c4ccc5OCOc5c4)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D02 compound treatment 1600.0 815.0 1.8 320.0 45.0 0.12 1.3579 0.7509 2020638 DHPC1.1_006578 COc1ccc2[nH]cc(CCNC(=O)C3=C[C@H](C[C@@H](OCCOCCO)O3)c4cccc-5c4Cc6ccccc65)c2c1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D03 compound treatment 1400.0 615.0 1.36 320.0 45.0 0.12 1.0447 0.7644 DHPC1.1_006579 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D04 compound treatment 1600.0 815.0 1.8 520.0 245.0 0.63 1.7212 0.9005 2020585 DHPC1.1_006580 CC(C)[C@H]1C[C@@H](OCCOCCO)OC(=C1)C(=O)NCCCN2CCCC2=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D05 compound treatment 1720.0 935.0 2.07 780.0 505.0 1.3 2.3813 0.9746 DHPC1.1_006581 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D06 compound treatment 1480.0 695.0 1.54 540.0 265.0 0.68 1.5696 0.9327 2022933 DHPC1.1_006582 CCO[C@H]1OC(=C[C@H]([C@@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)NCCc4c[nH]c5ccc(OC)cc45 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D07 compound treatment 1180.0 395.0 0.87 320.0 45.0 0.12 0.7002 0.7937 DHPC1.1_006583 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D08 compound treatment 1360.0 575.0 1.27 640.0 365.0 0.94 1.5633 0.9887 DHPC1.1_006584 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D09 compound treatment 1440.0 655.0 1.45 460.0 185.0 0.48 1.3616 0.8921 DHPC1.1_006585 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D10 compound treatment 1440.0 655.0 1.45 240.0 -35.0 -0.09 0.9621 0.662 DHPC1.1_006586 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D11 compound treatment 1800.0 1020.0 2.25 460.0 185.0 0.48 1.9253 0.8381 2021935 DHPC1.1_006587 CCO[C@@H]1OC(=C[C@H](C(C)C)[C@H]1CCCO)C(=O)NCCCN2CCCC2=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D12 compound treatment 1040.0 255.0 0.56 460.0 185.0 0.48 0.7353 0.9963 DHPC1.1_006588 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D13 compound treatment 1300.0 515.0 1.14 340.0 65.0 0.17 0.9245 0.8021 DHPC1.1_006589 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D14 compound treatment 1420.0 635.0 1.41 500.0 225.0 0.58 1.403 0.9228 DHPC1.1_006590 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D15 compound treatment 1080.0 295.0 0.65 480.0 205.0 0.53 0.8343 0.9943 DHPC1.1_006591 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D16 compound treatment 1280.0 495.0 1.1 260.0 -15.0 -0.04 0.7478 0.6818 DHPC1.1_006592 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D17 compound treatment 1420.0 635.0 1.41 320.0 45.0 0.12 1.076 0.7627 DHPC1.1_006593 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D18 compound treatment 1080.0 295.0 0.65 540.0 265.0 0.68 0.9432 0.9998 DHPC1.1_006594 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D19 compound treatment 1360.0 575.0 1.27 380.0 105.0 0.27 1.0911 0.8383 2019424 DHPC1.1_006595 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCCCN3CCCC3=O)c4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D20 compound treatment 1520.0 735.0 1.63 360.0 85.0 0.22 1.3053 0.7948 DHPC1.1_006596 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D21 compound treatment 1300.0 515.0 1.14 320.0 45.0 0.12 0.8881 0.7748 DHPC1.1_006597 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D22 compound treatment 1180.0 395.0 0.87 500.0 225.0 0.58 1.0272 0.9798 2021448 DHPC1.1_006598 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCCc5c[nH]c6ccc(OC)cc56 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D23 compound treatment 1280.0 495.0 1.1 240.0 -35.0 -0.09 0.7115 0.6469 DHPC1.1_006599 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 D24 compound treatment 1280.0 495.0 1.1 560.0 285.0 0.73 1.2927 0.9807 DHPC1.1_006600 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E01 compound treatment 960.0 175.0 0.39 320.0 45.0 0.12 0.3558 0.8797 DHPC1.1_006601 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E02 compound treatment 1000.0 215.0 0.48 320.0 45.0 0.12 0.4184 0.854 2021612 DHPC1.1_006602 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccc(N5C(=O)c6ccc(Cl)cc6C5=O)c(C)c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E03 compound treatment 860.0 75.0 0.17 440.0 165.0 0.42 0.4171 0.9163 DHPC1.1_006603 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E04 compound treatment 1120.0 335.0 0.74 540.0 265.0 0.68 1.0059 0.9991 DHPC1.1_006604 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E05 compound treatment 1000.0 215.0 0.48 520.0 245.0 0.63 0.7817 0.9905 2019398 DHPC1.1_006605 Cc1cc(NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3coc4ccccc34)ccc1N5C(=O)c6ccc(Cl)cc6C5=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E06 compound treatment 1100.0 315.0 0.7 320.0 45.0 0.12 0.575 0.8132 2020910 DHPC1.1_006606 Cc1cc(NC(=O)C2=C[C@H](C[C@@H](OCc3ccc(CO)cc3)O2)c4cccc-5c4Cc6ccccc65)ccc1N7C(=O)c8ccc(Cl)cc8C7=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E07 compound treatment 880.0 95.0 0.21 440.0 165.0 0.42 0.4484 0.9478 DHPC1.1_006607 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E08 compound treatment 880.0 95.0 0.21 420.0 145.0 0.37 0.4121 0.9634 DHPC1.1_006608 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E09 compound treatment 860.0 75.0 0.17 360.0 85.0 0.22 0.2718 0.9909 DHPC1.1_006609 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E10 compound treatment 880.0 95.0 0.21 400.0 125.0 0.32 0.3758 0.979 DHPC1.1_006610 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E11 compound treatment 820.0 35.0 0.08 240.0 -35.0 -0.09 -0.0088 -0.0739 DHPC1.1_006611 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E12 compound treatment 960.0 175.0 0.39 360.0 85.0 0.22 0.4284 0.9632 DHPC1.1_006612 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E13 compound treatment 840.0 55.0 0.12 400.0 125.0 0.32 0.3132 0.9119 DHPC1.1_006613 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E14 compound treatment 1120.0 335.0 0.74 320.0 45.0 0.12 0.6063 0.8075 DHPC1.1_006614 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E15 compound treatment 760.0 -25.0 -0.06 360.0 85.0 0.22 0.1152 0.5116 DHPC1.1_006615 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E16 compound treatment 640.0 -145.0 -0.32 440.0 165.0 0.42 0.0726 0.1366 2021613 DHPC1.1_006616 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccc(cc4)c5nc6ccc(C)cc6s5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E17 compound treatment 1140.0 355.0 0.79 140.0 -135.0 -0.35 0.3107 0.3616 2019722 DHPC1.1_006617 Cc1cc(NC(=O)C2=C[C@@H](C[C@H](OCCOCCO)O2)c3coc4ccccc4c3=O)ccc1N5C(=O)c6ccc(Cl)cc6C5=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E18 compound treatment 540.0 -245.0 -0.54 520.0 245.0 0.63 0.0614 0.0739 DHPC1.1_006618 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E19 compound treatment 900.0 115.0 0.25 440.0 165.0 0.42 0.4798 0.9703 DHPC1.1_006619 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E20 compound treatment 840.0 55.0 0.12 400.0 125.0 0.32 0.3132 0.9119 DHPC1.1_006620 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E21 compound treatment 560.0 -225.0 -0.5 360.0 85.0 0.22 -0.1979 -0.3638 DHPC1.1_006621 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E22 compound treatment 680.0 -105.0 -0.23 260.0 -15.0 -0.04 -0.1917 -0.8132 DHPC1.1_006622 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E23 compound treatment 1000.0 215.0 0.48 380.0 105.0 0.27 0.5274 0.9638 DHPC1.1_006623 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 E24 compound treatment 1080.0 295.0 0.65 320.0 45.0 0.12 0.5437 0.8195 DHPC1.1_006624 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F01 compound treatment 1220.0 435.0 0.96 140.0 -135.0 -0.35 0.4359 0.4258 DHPC1.1_006625 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F02 compound treatment 780.0 -5.0 -0.01 320.0 45.0 0.12 0.0739 0.6365 DHPC1.1_006626 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F03 compound treatment 1120.0 335.0 0.74 320.0 45.0 0.12 0.6063 0.8075 DHPC1.1_006627 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F04 compound treatment 880.0 95.0 0.21 360.0 85.0 0.22 0.3031 0.9998 DHPC1.1_006628 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F05 compound treatment 1120.0 335.0 0.74 220.0 -55.0 -0.14 0.4247 0.5623 DHPC1.1_006629 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F06 compound treatment 780.0 -5.0 -0.01 340.0 65.0 0.17 0.1102 0.6588 2022829 DHPC1.1_006630 CCO[C@H]1OC(=C[C@H]([C@@H]1CCOCCOCCO)c2ccc(cc2)C(=O)OC)C(=O)N3CCC4(CC3)N(CNC4=O)c5ccccc5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F07 compound treatment 820.0 35.0 0.08 340.0 65.0 0.17 0.1729 0.9391 DHPC1.1_006631 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F08 compound treatment 960.0 175.0 0.39 240.0 -35.0 -0.09 0.2104 0.529 DHPC1.1_006632 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F09 compound treatment 980.0 195.0 0.43 360.0 85.0 0.22 0.4597 0.9501 DHPC1.1_006633 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F10 compound treatment 900.0 115.0 0.25 360.0 85.0 0.22 0.3345 0.9971 2021074 DHPC1.1_006634 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCC4(CC3)N(CNC4=O)c5ccccc5)c6coc7ccccc7c6=O)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F11 compound treatment 860.0 75.0 0.17 320.0 45.0 0.12 0.1992 0.9843 DHPC1.1_006635 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F12 compound treatment 1000.0 215.0 0.48 520.0 245.0 0.63 0.7817 0.9905 DHPC1.1_006636 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F13 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 DHPC1.1_006637 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F14 compound treatment 1140.0 355.0 0.79 320.0 45.0 0.12 0.6376 0.8025 DHPC1.1_006638 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F15 compound treatment 860.0 75.0 0.17 320.0 45.0 0.12 0.1992 0.9843 DHPC1.1_006639 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F16 compound treatment 960.0 175.0 0.39 360.0 85.0 0.22 0.4284 0.9632 DHPC1.1_006640 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F17 compound treatment 360.0 -425.0 -0.94 200.0 -75.0 -0.19 -0.8017 -0.8345 DHPC1.1_006641 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F18 compound treatment 840.0 55.0 0.12 200.0 -75.0 -0.19 -0.0501 -0.2198 DHPC1.1_006642 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F19 compound treatment 840.0 55.0 0.12 320.0 45.0 0.12 0.1679 0.9997 2023019 DHPC1.1_006643 CCO[C@@H]1OC(=C[C@H](C(C)C)[C@@H]1CCCO)C(=O)N2CCC(CC2)n3c(=O)[nH]c4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F20 compound treatment 700.0 -85.0 -0.19 400.0 125.0 0.32 0.0939 0.2524 DHPC1.1_006644 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F21 compound treatment 720.0 -65.0 -0.14 400.0 125.0 0.32 0.1253 0.356 DHPC1.1_006645 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F22 compound treatment 880.0 95.0 0.21 540.0 265.0 0.68 0.6301 0.8844 2021587 DHPC1.1_006646 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2cn(C(=O)C)c3ccccc23)C(=O)N4CCC5(CC4)N(CNC5=O)c6ccccc6 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F23 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 DHPC1.1_006647 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 F24 compound treatment 1060.0 275.0 0.61 320.0 45.0 0.12 0.5123 0.8266 DHPC1.1_006648 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G01 compound treatment 520.0 -265.0 -0.59 220.0 -55.0 -0.14 -0.5148 -0.853 2023398 DHPC1.1_006649 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2ccc3OCOc3c2)C(=O)NCc4nc5ccccc5[nH]4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G02 compound treatment 480.0 -305.0 -0.68 260.0 -15.0 -0.04 -0.5048 -0.7462 2020887 DHPC1.1_006650 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3nc4ccccc4[nH]3)c5ccccc5)cc1 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G03 compound treatment 520.0 -265.0 -0.59 320.0 45.0 0.12 -0.3332 -0.5571 2019808 DHPC1.1_006651 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCc3ccc(CO)cc3)O2)c4ccccc4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G04 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 2021779 DHPC1.1_006652 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccc3OCOc3c2)C(=O)Nc4ccccc4N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G05 compound treatment 640.0 -145.0 -0.32 340.0 65.0 0.17 -0.109 -0.3011 2022345 DHPC1.1_006653 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCOCCOCCO)c2ccsc2)C(=O)NCc3nc4ccccc4[nH]3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G06 compound treatment 440.0 -345.0 -0.76 320.0 45.0 0.12 -0.4585 -0.5934 2020509 DHPC1.1_006654 CC(=O)n1cc([C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NCc3nc4ccccc4[nH]3)c5ccccc15 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G07 compound treatment 380.0 -405.0 -0.9 140.0 -135.0 -0.35 -0.8794 -0.9145 2019538 DHPC1.1_006655 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCOCCO)O2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G08 compound treatment 640.0 -145.0 -0.32 200.0 -75.0 -0.19 -0.3633 -0.9701 2020969 DHPC1.1_006656 Nc1ccccc1NC(=O)C2=C[C@H](C[C@@H](OCc3ccc(CO)cc3)O2)c4ccc5OCOc5c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G09 compound treatment 500.0 -285.0 -0.63 240.0 -35.0 -0.09 -0.5098 -0.7998 2023101 DHPC1.1_006657 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)NCc3nc4ccccc4[nH]3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G10 compound treatment 700.0 -85.0 -0.19 220.0 -55.0 -0.14 -0.233 -0.99 DHPC1.1_006658 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G11 compound treatment 320.0 -465.0 -1.03 140.0 -135.0 -0.35 -0.9733 -0.8958 2023534 DHPC1.1_006659 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2c(C)n(C)n(c3ccccc3)c2=O)C(=O)Nc4ccccc4N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G12 compound treatment 320.0 -465.0 -1.03 200.0 -75.0 -0.19 -0.8643 -0.8251 DHPC1.1_006660 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G13 compound treatment 640.0 -145.0 -0.32 200.0 -75.0 -0.19 -0.3633 -0.9701 2023344 DHPC1.1_006661 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCc5nc6ccccc6[nH]5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G14 compound treatment 520.0 -265.0 -0.59 160.0 -115.0 -0.3 -0.6238 -0.9495 DHPC1.1_006662 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G15 compound treatment 580.0 -205.0 -0.45 320.0 45.0 0.12 -0.2393 -0.5108 2019592 DHPC1.1_006663 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)Nc3ccccc3N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G16 compound treatment 500.0 -285.0 -0.63 180.0 -95.0 -0.24 -0.6188 -0.9145 2021698 DHPC1.1_006664 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccccc2)C(=O)Nc3ccccc3N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G17 compound treatment 560.0 -225.0 -0.5 260.0 -15.0 -0.04 -0.3796 -0.7595 2023344 DHPC1.1_006665 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCc5nc6ccccc6[nH]5 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G18 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 DHPC1.1_006666 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G19 compound treatment 860.0 75.0 0.17 220.0 -55.0 -0.14 0.0175 0.0804 DHPC1.1_006667 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G20 compound treatment 400.0 -385.0 -0.85 320.0 45.0 0.12 -0.5211 -0.6057 2020618 DHPC1.1_006668 Nc1ccccc1NC(=O)C2=C[C@H](C[C@@H](OCCOCCO)O2)c3ccccc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G21 compound treatment 520.0 -265.0 -0.59 160.0 -115.0 -0.3 -0.6238 -0.9495 DHPC1.1_006669 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G22 compound treatment 680.0 -105.0 -0.23 260.0 -15.0 -0.04 -0.1917 -0.8132 2022507 DHPC1.1_006670 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccccc2)C(=O)NCc3nc4ccccc4[nH]3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G23 compound treatment 680.0 -105.0 -0.23 140.0 -135.0 -0.35 -0.4096 -0.9811 DHPC1.1_006671 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 G24 compound treatment 700.0 -85.0 -0.19 120.0 -155.0 -0.4 -0.4146 -0.9415 DHPC1.1_006672 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H01 compound treatment 480.0 -305.0 -0.68 200.0 -75.0 -0.19 -0.6138 -0.8739 2023292 DHPC1.1_006673 CCO[C@@H]1OC(=C[C@H](C(C)C)[C@@H]1CCOCCOCCO)C(=O)Nc2ccccc2O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H02 compound treatment 340.0 -445.0 -0.99 320.0 45.0 0.12 -0.6151 -0.6199 2020754 DHPC1.1_006674 OCCOCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2O)c3coc4ccccc34 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H03 compound treatment 680.0 -105.0 -0.23 320.0 45.0 0.12 -0.0827 -0.3184 DHPC1.1_006675 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H04 compound treatment 800.0 15.0 0.03 340.0 65.0 0.17 0.1415 0.8315 DHPC1.1_006676 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H05 compound treatment 700.0 -85.0 -0.19 240.0 -35.0 -0.09 -0.1967 -0.9428 2023508 DHPC1.1_006677 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccccc4O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H06 compound treatment 560.0 -225.0 -0.5 320.0 45.0 0.12 -0.2706 -0.529 2020700 DHPC1.1_006678 OCCOCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2O)c3ccc4OCOc4c3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H07 compound treatment 580.0 -205.0 -0.45 160.0 -115.0 -0.3 -0.5299 -0.9783 2021970 DHPC1.1_006679 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccccc2)C(=O)NCCCCC(=O)Nc3ccccc3N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H08 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 2021484 DHPC1.1_006680 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)NCCCCC(=O)Nc3ccccc3N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H09 compound treatment 440.0 -345.0 -0.76 320.0 45.0 0.12 -0.4585 -0.5934 2023130 DHPC1.1_006681 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccc3OCOc3c2)C(=O)Nc4ccccc4O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H10 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 2021618 DHPC1.1_006682 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccccc4O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H11 compound treatment 320.0 -465.0 -1.03 160.0 -115.0 -0.3 -0.937 -0.8747 2019756 DHPC1.1_006683 Cc1c([C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)NCCCCC(=O)Nc3ccccc3N)c(=O)n(c4ccccc4)n1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H12 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 DHPC1.1_006684 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H13 compound treatment 420.0 -365.0 -0.81 320.0 45.0 0.12 -0.4898 -0.5999 2022077 DHPC1.1_006685 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccsc2)C(=O)Nc3ccccc3O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H14 compound treatment 680.0 -105.0 -0.23 140.0 -135.0 -0.35 -0.4096 -0.9811 DHPC1.1_006686 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H15 compound treatment 520.0 -265.0 -0.59 240.0 -35.0 -0.09 -0.4785 -0.806 2020161 DHPC1.1_006687 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@H]2C[C@H](C=C(O2)C(=O)NCCCCC(=O)Nc3ccccc3N)c4ccc5OCOc5c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H16 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 2022564 DHPC1.1_006688 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)NCCCCC(=O)Nc3ccccc3N 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H17 compound treatment 580.0 -205.0 -0.45 160.0 -115.0 -0.3 -0.5299 -0.9783 DHPC1.1_006689 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H18 compound treatment 720.0 -65.0 -0.14 220.0 -55.0 -0.14 -0.2017 -1.0 DHPC1.1_006690 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H19 compound treatment 820.0 35.0 0.08 320.0 45.0 0.12 0.1365 0.9811 2020161 DHPC1.1_006691 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@H]2C[C@H](C=C(O2)C(=O)NCCCCC(=O)Nc3ccccc3N)c4ccc5OCOc5c4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H20 compound treatment 420.0 -365.0 -0.81 320.0 45.0 0.12 -0.4898 -0.5999 DHPC1.1_006692 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H21 compound treatment 640.0 -145.0 -0.32 160.0 -115.0 -0.3 -0.4359 -0.9991 DHPC1.1_006693 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H22 compound treatment 560.0 -225.0 -0.5 220.0 -55.0 -0.14 -0.4522 -0.8732 2022995 DHPC1.1_006694 CCO[C@H]1OC(=C[C@H]([C@@H]1CCOCCOCCO)c2c(C)n(C)n(c3ccccc3)c2=O)C(=O)Nc4ccccc4O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H23 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 DHPC1.1_006695 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 H24 compound treatment 760.0 -25.0 -0.06 180.0 -95.0 -0.24 -0.2117 -0.846 DHPC1.1_006696 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I01 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 2019433 DHPC1.1_006697 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(cc3)C(=O)Nc4ccccc4N)c5ccccc15 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I02 compound treatment 580.0 -205.0 -0.45 240.0 -35.0 -0.09 -0.3846 -0.831 DHPC1.1_006698 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I03 compound treatment 460.0 -325.0 -0.72 400.0 125.0 0.32 -0.2819 -0.3577 DHPC1.1_006699 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I04 compound treatment 440.0 -345.0 -0.76 320.0 45.0 0.12 -0.4585 -0.5934 DHPC1.1_006700 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I05 compound treatment 520.0 -265.0 -0.59 420.0 145.0 0.37 -0.1516 -0.2181 DHPC1.1_006701 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I06 compound treatment 720.0 -65.0 -0.14 320.0 45.0 0.12 -0.02 -0.1086 DHPC1.1_006702 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I07 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 2023160 DHPC1.1_006703 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccsc2)C(=O)NCc3ccc(F)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I08 compound treatment 800.0 15.0 0.03 340.0 65.0 0.17 0.1415 0.8315 DHPC1.1_006704 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I09 compound treatment 780.0 -5.0 -0.01 260.0 -15.0 -0.04 -0.0351 -0.8749 DHPC1.1_006705 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I10 compound treatment 560.0 -225.0 -0.5 220.0 -55.0 -0.14 -0.4522 -0.8732 DHPC1.1_006706 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I11 compound treatment 480.0 -305.0 -0.68 360.0 85.0 0.22 -0.3232 -0.4553 2019434 DHPC1.1_006707 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(F)cc3)c4ccccc14 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I12 compound treatment 660.0 -125.0 -0.28 160.0 -115.0 -0.3 -0.4046 -0.9995 2021702 DHPC1.1_006708 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccccc2)C(=O)NCc3ccc(F)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I13 compound treatment 760.0 -25.0 -0.06 240.0 -35.0 -0.09 -0.1027 -0.9729 2020297 DHPC1.1_006709 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccc(cc3)C(=O)Nc4ccccc4N)c5c(C)n(C)n(c6ccccc6)c5=O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I14 compound treatment 840.0 55.0 0.12 200.0 -75.0 -0.19 -0.0501 -0.2198 DHPC1.1_006710 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I15 compound treatment 800.0 15.0 0.03 220.0 -55.0 -0.14 -0.0764 -0.5265 DHPC1.1_006711 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I16 compound treatment 660.0 -125.0 -0.28 260.0 -15.0 -0.04 -0.223 -0.7978 2021810 DHPC1.1_006712 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccsc2)C(=O)NCc3ccc(F)cc3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I17 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 DHPC1.1_006713 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I18 compound treatment 680.0 -105.0 -0.23 320.0 45.0 0.12 -0.0827 -0.3184 DHPC1.1_006714 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I19 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 DHPC1.1_006715 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I20 compound treatment 760.0 -25.0 -0.06 320.0 45.0 0.12 0.0426 0.3323 2021135 DHPC1.1_006716 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccc(F)cc3)C(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I21 compound treatment 840.0 55.0 0.12 360.0 85.0 0.22 0.2405 0.962 DHPC1.1_006717 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I22 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 2021323 DHPC1.1_006718 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccc(cc3)C(=O)Nc4ccccc4N)c5cn(C(=O)C)c6ccccc56 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I23 compound treatment 500.0 -285.0 -0.63 320.0 45.0 0.12 -0.3645 -0.5681 DHPC1.1_006719 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 I24 compound treatment 640.0 -145.0 -0.32 240.0 -35.0 -0.09 -0.2906 -0.8716 DHPC1.1_006720 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J01 compound treatment 640.0 -145.0 -0.32 400.0 125.0 0.32 0.0 0.0 2023161 DHPC1.1_006721 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccsc2)C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3C[C@H]5C[C@@H]6N(CCc7cc(OC)c(OC)cc67)C[C@@H]5CC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J02 compound treatment 700.0 -85.0 -0.19 120.0 -155.0 -0.4 -0.4146 -0.9415 2022567 DHPC1.1_006722 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3C[C@H]5C[C@@H]6N(CCc7cc(OC)c(OC)cc67)C[C@@H]5CC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J03 compound treatment 700.0 -85.0 -0.19 200.0 -75.0 -0.19 -0.2693 -0.9999 DHPC1.1_006723 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J04 compound treatment 760.0 -25.0 -0.06 340.0 65.0 0.17 0.0789 0.4486 DHPC1.1_006724 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J05 compound treatment 640.0 -145.0 -0.32 240.0 -35.0 -0.09 -0.2906 -0.8716 2019300 DHPC1.1_006725 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4N(CCc5cc(OC)c(OC)cc45)C(=O)C6=C[C@@H](C[C@H](OCCCCO)O6)c7cccc-8c7Cc9ccccc98 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J06 compound treatment 680.0 -105.0 -0.23 260.0 -15.0 -0.04 -0.1917 -0.8132 2020866 DHPC1.1_006726 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4N(CCc5cc(OC)c(OC)cc45)C(=O)C6=C[C@H](C[C@@H](OCc7ccc(CO)cc7)O6)C(C)C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J07 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 DHPC1.1_006727 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J08 compound treatment 580.0 -205.0 -0.45 160.0 -115.0 -0.3 -0.5299 -0.9783 2021650 DHPC1.1_006728 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2c(C)n(C)n(c3ccccc3)c2=O)C(=O)N4CCOCCOCCOCCOCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J09 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 2022243 DHPC1.1_006729 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCOCCOCCO)c2ccccc2)C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3C[C@H]5C[C@@H]6N(CCc7cc(OC)c(OC)cc67)C[C@@H]5CC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J10 compound treatment 840.0 55.0 0.12 100.0 -175.0 -0.45 -0.2317 -0.4976 DHPC1.1_006730 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J11 compound treatment 840.0 55.0 0.12 240.0 -35.0 -0.09 0.0225 0.149 2020030 DHPC1.1_006731 Cc1c([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCOCCOCCOCCOCC4)c(=O)n(c5ccccc5)n1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J12 compound treatment 580.0 -205.0 -0.45 220.0 -55.0 -0.14 -0.4209 -0.8853 DHPC1.1_006732 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J13 compound treatment 720.0 -65.0 -0.14 200.0 -75.0 -0.19 -0.238 -0.9897 2023350 DHPC1.1_006733 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cccc-3c2Cc4ccccc43)C(=O)N5CCc6cc(OC)c(OC)cc6[C@H]5C[C@H]7C[C@@H]8N(CCc9cc(OC)c(OC)cc89)C[C@@H]7CC 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J14 compound treatment 900.0 115.0 0.25 340.0 65.0 0.17 0.2981 0.979 DHPC1.1_006734 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J15 compound treatment 800.0 15.0 0.03 240.0 -35.0 -0.09 -0.0401 -0.4182 DHPC1.1_006735 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J16 compound treatment 720.0 -65.0 -0.14 160.0 -115.0 -0.3 -0.3107 -0.9454 DHPC1.1_006736 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J17 compound treatment 560.0 -225.0 -0.5 260.0 -15.0 -0.04 -0.3796 -0.7595 DHPC1.1_006737 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J18 compound treatment 700.0 -85.0 -0.19 260.0 -15.0 -0.04 -0.1603 -0.8345 DHPC1.1_006738 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J19 compound treatment 640.0 -145.0 -0.32 360.0 85.0 0.22 -0.0727 -0.1871 DHPC1.1_006739 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J20 compound treatment 760.0 -25.0 -0.06 240.0 -35.0 -0.09 -0.1027 -0.9729 DHPC1.1_006740 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J21 compound treatment 860.0 75.0 0.17 200.0 -75.0 -0.19 -0.0188 -0.0739 DHPC1.1_006741 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J22 compound treatment 700.0 -85.0 -0.19 240.0 -35.0 -0.09 -0.1967 -0.9428 DHPC1.1_006742 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J23 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 DHPC1.1_006743 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 J24 compound treatment 560.0 -225.0 -0.5 360.0 85.0 0.22 -0.1979 -0.3638 DHPC1.1_006744 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K01 compound treatment 640.0 -145.0 -0.32 460.0 185.0 0.48 0.109 0.19 DHPC1.1_006745 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K02 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 DHPC1.1_006746 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K03 compound treatment 540.0 -245.0 -0.54 320.0 45.0 0.12 -0.3019 -0.5442 DHPC1.1_006747 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K04 compound treatment 400.0 -385.0 -0.85 320.0 45.0 0.12 -0.5211 -0.6057 DHPC1.1_006748 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K05 compound treatment 500.0 -285.0 -0.63 340.0 65.0 0.17 -0.3282 -0.5027 2022056 DHPC1.1_006749 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccc3OCOc3c2)C(=O)N4CCCCCCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K06 compound treatment 520.0 -265.0 -0.59 320.0 45.0 0.12 -0.3332 -0.5571 DHPC1.1_006750 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K07 compound treatment 760.0 -25.0 -0.06 180.0 -95.0 -0.24 -0.2117 -0.846 2019249 DHPC1.1_006751 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)NCCNc2ccc(cn2)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K08 compound treatment 680.0 -105.0 -0.23 340.0 65.0 0.17 -0.0464 -0.1619 2021895 DHPC1.1_006752 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2coc3ccccc3c2=O)C(=O)NCCNc4ccc(cn4)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K09 compound treatment 560.0 -225.0 -0.5 160.0 -115.0 -0.3 -0.5612 -0.9689 DHPC1.1_006753 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K10 compound treatment 560.0 -225.0 -0.5 220.0 -55.0 -0.14 -0.4522 -0.8732 DHPC1.1_006754 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K11 compound treatment 740.0 -45.0 -0.1 140.0 -135.0 -0.35 -0.3157 -0.8749 DHPC1.1_006755 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K12 compound treatment 540.0 -245.0 -0.54 340.0 65.0 0.17 -0.2656 -0.4678 DHPC1.1_006756 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K13 compound treatment 540.0 -245.0 -0.54 360.0 85.0 0.22 -0.2292 -0.392 DHPC1.1_006757 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K14 compound treatment 760.0 -25.0 -0.06 200.0 -75.0 -0.19 -0.1754 -0.8749 2021624 DHPC1.1_006758 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)N4CCCCCCC4 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K15 compound treatment 420.0 -365.0 -0.81 260.0 -15.0 -0.04 -0.5988 -0.74 DHPC1.1_006759 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K16 compound treatment 500.0 -285.0 -0.63 320.0 45.0 0.12 -0.3645 -0.5681 2022543 DHPC1.1_006760 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCCNc5ccc(cn5)[N+](=O)[O-] 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K17 compound treatment 540.0 -245.0 -0.54 200.0 -75.0 -0.19 -0.5199 -0.903 DHPC1.1_006761 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K18 compound treatment 640.0 -145.0 -0.32 120.0 -155.0 -0.4 -0.5086 -0.9943 DHPC1.1_006762 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K19 compound treatment 820.0 35.0 0.08 180.0 -95.0 -0.24 -0.1177 -0.4599 DHPC1.1_006763 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K20 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 DHPC1.1_006764 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K21 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 2019761 DHPC1.1_006765 Cc1c([C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)N3CCCCCCC3)c(=O)n(c4ccccc4)n1C 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K22 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 DHPC1.1_006766 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K23 compound treatment 540.0 -245.0 -0.54 140.0 -135.0 -0.35 -0.6288 -0.9766 DHPC1.1_006767 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 K24 compound treatment 720.0 -65.0 -0.14 200.0 -75.0 -0.19 -0.238 -0.9897 DHPC1.1_006768 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L01 compound treatment 660.0 -125.0 -0.28 400.0 125.0 0.32 0.0313 0.0739 DHPC1.1_006769 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L02 compound treatment 440.0 -345.0 -0.76 180.0 -95.0 -0.24 -0.7128 -0.8887 DHPC1.1_006770 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L03 compound treatment 560.0 -225.0 -0.5 340.0 65.0 0.17 -0.2343 -0.4458 DHPC1.1_006771 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L04 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 DHPC1.1_006772 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L05 compound treatment 800.0 15.0 0.03 320.0 45.0 0.12 0.1052 0.8749 DHPC1.1_006773 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L06 compound treatment 480.0 -305.0 -0.68 320.0 45.0 0.12 -0.3958 -0.5777 DHPC1.1_006774 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L07 compound treatment 720.0 -65.0 -0.14 320.0 45.0 0.12 -0.02 -0.1086 DHPC1.1_006775 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L08 compound treatment 700.0 -85.0 -0.19 320.0 45.0 0.12 -0.0514 -0.2325 2020790 DHPC1.1_006776 CC(=O)n1cc([C@H]2C[C@@H](OCCOCCO)OC(=C2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccccc16 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L09 compound treatment 740.0 -45.0 -0.1 320.0 45.0 0.12 0.0113 0.0739 DHPC1.1_006777 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L10 compound treatment 420.0 -365.0 -0.81 180.0 -95.0 -0.24 -0.7441 -0.8813 DHPC1.1_006778 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L11 compound treatment 640.0 -145.0 -0.32 220.0 -55.0 -0.14 -0.3269 -0.932 DHPC1.1_006779 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L12 compound treatment 340.0 -445.0 -0.99 220.0 -55.0 -0.14 -0.7967 -0.8003 DHPC1.1_006780 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L13 compound treatment 560.0 -225.0 -0.5 320.0 45.0 0.12 -0.2706 -0.529 DHPC1.1_006781 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L14 compound treatment 540.0 -245.0 -0.54 240.0 -35.0 -0.09 -0.4472 -0.8132 DHPC1.1_006782 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L15 compound treatment 480.0 -305.0 -0.68 220.0 -55.0 -0.14 -0.5775 -0.8369 DHPC1.1_006783 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L16 compound treatment 540.0 -245.0 -0.54 220.0 -55.0 -0.14 -0.4835 -0.8625 DHPC1.1_006784 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L17 compound treatment 360.0 -425.0 -0.94 240.0 -35.0 -0.09 -0.7291 -0.7711 DHPC1.1_006785 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L18 compound treatment 520.0 -265.0 -0.59 200.0 -75.0 -0.19 -0.5512 -0.8924 DHPC1.1_006786 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L19 compound treatment 780.0 -5.0 -0.01 220.0 -55.0 -0.14 -0.1077 -0.7602 DHPC1.1_006787 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L20 compound treatment 820.0 35.0 0.08 260.0 -15.0 -0.04 0.0276 0.3184 DHPC1.1_006788 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L21 compound treatment 640.0 -145.0 -0.32 240.0 -35.0 -0.09 -0.2906 -0.8716 DHPC1.1_006789 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L22 compound treatment 460.0 -325.0 -0.72 220.0 -55.0 -0.14 -0.6088 -0.8301 DHPC1.1_006790 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L23 compound treatment 640.0 -145.0 -0.32 220.0 -55.0 -0.14 -0.3269 -0.932 DHPC1.1_006791 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 L24 compound treatment 740.0 -45.0 -0.1 480.0 205.0 0.53 0.3019 0.5633 DHPC1.1_006792 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M01 compound treatment 640.0 -145.0 -0.32 240.0 -35.0 -0.09 -0.2906 -0.8716 DHPC1.1_006793 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M02 compound treatment 660.0 -125.0 -0.28 240.0 -35.0 -0.09 -0.2593 -0.891 DHPC1.1_006794 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M03 compound treatment 460.0 -325.0 -0.72 400.0 125.0 0.32 -0.2819 -0.3577 DHPC1.1_006795 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M04 compound treatment 840.0 55.0 0.12 320.0 45.0 0.12 0.1679 0.9997 DHPC1.1_006796 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M05 compound treatment 440.0 -345.0 -0.76 320.0 45.0 0.12 -0.4585 -0.5934 DHPC1.1_006797 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M06 compound treatment 960.0 175.0 0.39 400.0 125.0 0.32 0.5011 0.9956 DHPC1.1_006798 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M07 compound treatment 960.0 175.0 0.39 320.0 45.0 0.12 0.3558 0.8797 DHPC1.1_006799 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M08 compound treatment 660.0 -125.0 -0.28 380.0 105.0 0.27 -0.005 -0.013 DHPC1.1_006800 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M09 compound treatment 520.0 -265.0 -0.59 240.0 -35.0 -0.09 -0.4785 -0.806 2023329 DHPC1.1_006801 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2ccccc2)C(=O)NCC3CC3 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M10 compound treatment 580.0 -205.0 -0.45 160.0 -115.0 -0.3 -0.5299 -0.9783 DHPC1.1_006802 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M11 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 DHPC1.1_006803 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M12 compound treatment 640.0 -145.0 -0.32 360.0 85.0 0.22 -0.0727 -0.1871 DHPC1.1_006804 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M13 compound treatment 880.0 95.0 0.21 220.0 -55.0 -0.14 0.0489 0.1928 DHPC1.1_006805 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M14 compound treatment 800.0 15.0 0.03 400.0 125.0 0.32 0.2505 0.7761 DHPC1.1_006806 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M15 compound treatment 800.0 15.0 0.03 240.0 -35.0 -0.09 -0.0401 -0.4182 DHPC1.1_006807 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M16 compound treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 DHPC1.1_006808 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M17 compound treatment 540.0 -245.0 -0.54 240.0 -35.0 -0.09 -0.4472 -0.8132 DHPC1.1_006809 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M18 compound treatment 780.0 -5.0 -0.01 380.0 105.0 0.27 0.1829 0.6775 DHPC1.1_006810 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M19 compound treatment 960.0 175.0 0.39 320.0 45.0 0.12 0.3558 0.8797 DHPC1.1_006811 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M20 compound treatment 960.0 175.0 0.39 180.0 -95.0 -0.24 0.1015 0.2216 DHPC1.1_006812 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M21 compound treatment 660.0 -125.0 -0.28 580.0 305.0 0.78 0.3583 0.4312 DHPC1.1_006813 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M22 compound treatment 960.0 175.0 0.39 400.0 125.0 0.32 0.5011 0.9956 DHPC1.1_006814 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M23 compound treatment 740.0 -45.0 -0.1 160.0 -115.0 -0.3 -0.2793 -0.896 DHPC1.1_006815 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 M24 compound treatment 840.0 55.0 0.12 180.0 -95.0 -0.24 -0.0864 -0.3169 DHPC1.1_006816 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N01 compound treatment 580.0 -205.0 -0.45 320.0 45.0 0.12 -0.2393 -0.5108 DHPC1.1_006817 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N02 compound treatment 680.0 -105.0 -0.23 320.0 45.0 0.12 -0.0827 -0.3184 DHPC1.1_006818 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N03 compound treatment 480.0 -305.0 -0.68 220.0 -55.0 -0.14 -0.5775 -0.8369 DHPC1.1_006819 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N04 compound treatment 780.0 -5.0 -0.01 200.0 -75.0 -0.19 -0.1441 -0.7465 DHPC1.1_006820 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N05 compound treatment 1160.0 375.0 0.83 200.0 -75.0 -0.19 0.451 0.529 DHPC1.1_006821 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N06 compound treatment 1000.0 215.0 0.48 240.0 -35.0 -0.09 0.2731 0.5636 DHPC1.1_006822 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N07 compound treatment 820.0 35.0 0.08 200.0 -75.0 -0.19 -0.0814 -0.3921 DHPC1.1_006823 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N08 compound treatment 860.0 75.0 0.17 100.0 -175.0 -0.45 -0.2004 -0.4182 DHPC1.1_006824 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N09 compound treatment 500.0 -285.0 -0.63 120.0 -155.0 -0.4 -0.7278 -0.9753 DHPC1.1_006825 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N10 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 2020604 DHPC1.1_006826 CC(C)[C@H]1C[C@@H](OCCOCCO)OC(=C1)C(=O)O 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N11 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 DHPC1.1_006827 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N12 compound treatment 720.0 -65.0 -0.14 120.0 -155.0 -0.4 -0.3833 -0.9054 DHPC1.1_006828 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N13 compound treatment 700.0 -85.0 -0.19 240.0 -35.0 -0.09 -0.1967 -0.9428 DHPC1.1_006829 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N14 compound treatment 520.0 -265.0 -0.59 180.0 -95.0 -0.24 -0.5875 -0.9244 DHPC1.1_006830 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N15 compound treatment 880.0 95.0 0.21 320.0 45.0 0.12 0.2305 0.9602 DHPC1.1_006831 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N16 compound treatment 640.0 -145.0 -0.32 160.0 -115.0 -0.3 -0.4359 -0.9991 DHPC1.1_006832 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N17 compound treatment 780.0 -5.0 -0.01 200.0 -75.0 -0.19 -0.1441 -0.7465 DHPC1.1_006833 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N18 compound treatment 640.0 -145.0 -0.32 340.0 65.0 0.17 -0.109 -0.3011 DHPC1.1_006834 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N19 compound treatment 720.0 -65.0 -0.14 160.0 -115.0 -0.3 -0.3107 -0.9454 DHPC1.1_006835 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N20 compound treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 DHPC1.1_006836 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N21 compound treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 DHPC1.1_006837 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N22 compound treatment 1000.0 215.0 0.48 180.0 -95.0 -0.24 0.1641 0.3067 DHPC1.1_006838 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N23 compound treatment 800.0 15.0 0.03 240.0 -35.0 -0.09 -0.0401 -0.4182 DHPC1.1_006839 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 N24 compound treatment 720.0 -65.0 -0.14 180.0 -95.0 -0.24 -0.2743 -0.9683 DHPC1.1_006840 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O01 compound treatment 840.0 55.0 0.12 220.0 -55.0 -0.14 -0.0138 -0.0739 DHPC1.1_006841 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O02 compound treatment 1180.0 395.0 0.87 320.0 45.0 0.12 0.7002 0.7937 DHPC1.1_006842 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O03 compound treatment 780.0 -5.0 -0.01 380.0 105.0 0.27 0.1829 0.6775 DHPC1.1_006843 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O04 compound treatment 820.0 35.0 0.08 180.0 -95.0 -0.24 -0.1177 -0.4599 DHPC1.1_006844 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O05 compound treatment 860.0 75.0 0.17 260.0 -15.0 -0.04 0.0902 0.529 DHPC1.1_006845 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O06 compound treatment 1060.0 275.0 0.61 260.0 -15.0 -0.04 0.4034 0.661 DHPC1.1_006846 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O07 compound treatment 720.0 -65.0 -0.14 240.0 -35.0 -0.09 -0.1654 -0.9743 DHPC1.1_006847 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O08 compound treatment 660.0 -125.0 -0.28 320.0 45.0 0.12 -0.114 -0.38 DHPC1.1_006848 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O09 compound treatment 800.0 15.0 0.03 180.0 -95.0 -0.24 -0.1491 -0.6053 DHPC1.1_006849 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O10 compound treatment 900.0 115.0 0.25 200.0 -75.0 -0.19 0.0438 0.1373 DHPC1.1_006850 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O11 compound treatment 780.0 -5.0 -0.01 240.0 -35.0 -0.09 -0.0714 -0.7882 DHPC1.1_006851 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O12 compound treatment 1000.0 215.0 0.48 460.0 185.0 0.48 0.6727 1.0 DHPC1.1_006852 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O13 compound treatment 1120.0 335.0 0.74 160.0 -115.0 -0.3 0.3157 0.3953 DHPC1.1_006853 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O14 compound treatment 860.0 75.0 0.17 260.0 -15.0 -0.04 0.0902 0.529 DHPC1.1_006854 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O15 compound treatment 780.0 -5.0 -0.01 240.0 -35.0 -0.09 -0.0714 -0.7882 DHPC1.1_006855 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O16 compound treatment 880.0 95.0 0.21 260.0 -15.0 -0.04 0.1215 0.5681 DHPC1.1_006856 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O17 compound treatment 840.0 55.0 0.12 100.0 -175.0 -0.45 -0.2317 -0.4976 DHPC1.1_006857 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O18 compound treatment 700.0 -85.0 -0.19 140.0 -135.0 -0.35 -0.3783 -0.9588 DHPC1.1_006858 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O19 compound treatment 640.0 -145.0 -0.32 140.0 -135.0 -0.35 -0.4723 -0.9993 DHPC1.1_006859 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O20 compound treatment 820.0 35.0 0.08 100.0 -175.0 -0.45 -0.2631 -0.5767 DHPC1.1_006860 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O21 compound treatment 780.0 -5.0 -0.01 320.0 45.0 0.12 0.0739 0.6365 DHPC1.1_006861 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O22 compound treatment 880.0 95.0 0.21 260.0 -15.0 -0.04 0.1215 0.5681 DHPC1.1_006862 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O23 compound treatment 1060.0 275.0 0.61 240.0 -35.0 -0.09 0.367 0.5963 DHPC1.1_006863 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 O24 compound treatment 800.0 15.0 0.03 140.0 -135.0 -0.35 -0.2217 -0.6365 DHPC1.1_006864 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P01 compound treatment 800.0 15.0 0.03 220.0 -55.0 -0.14 -0.0764 -0.5265 DHPC1.1_006865 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P02 compound treatment 640.0 -145.0 -0.32 200.0 -75.0 -0.19 -0.3633 -0.9701 DHPC1.1_006866 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P03 compound treatment 660.0 -125.0 -0.28 200.0 -75.0 -0.19 -0.332 -0.9843 DHPC1.1_006867 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P04 compound treatment 740.0 -45.0 -0.1 180.0 -95.0 -0.24 -0.243 -0.922 DHPC1.1_006868 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P05 mock treatment 660.0 -125.0 -0.28 400.0 125.0 0.32 0.0313 0.0739 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P06 mock treatment 640.0 -145.0 -0.32 240.0 -35.0 -0.09 -0.2906 -0.8716 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P07 mock treatment 1120.0 335.0 0.74 320.0 45.0 0.12 0.6063 0.8075 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P08 mock treatment 640.0 -145.0 -0.32 180.0 -95.0 -0.24 -0.3996 -0.9908 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P09 mock treatment 1040.0 255.0 0.56 360.0 85.0 0.22 0.5537 0.9145 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P10 mock treatment 760.0 -25.0 -0.06 240.0 -35.0 -0.09 -0.1027 -0.9729 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P11 mock treatment 700.0 -85.0 -0.19 320.0 45.0 0.12 -0.0514 -0.2325 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P12 mock treatment 960.0 175.0 0.39 140.0 -135.0 -0.35 0.0288 0.0554 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P13 mock treatment 980.0 195.0 0.43 240.0 -35.0 -0.09 0.2418 0.5481 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P14 mock treatment 640.0 -145.0 -0.32 260.0 -15.0 -0.04 -0.2543 -0.7863 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P15 mock treatment 860.0 75.0 0.17 460.0 185.0 0.48 0.4535 0.9008 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P16 mock treatment 1040.0 255.0 0.56 380.0 105.0 0.27 0.59 0.9428 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P17 mock treatment 640.0 -145.0 -0.32 320.0 45.0 0.12 -0.1453 -0.4258 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P18 mock treatment 820.0 35.0 0.08 420.0 145.0 0.37 0.3182 0.8363 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P19 mock treatment 900.0 115.0 0.25 140.0 -135.0 -0.35 -0.0651 -0.1514 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P20 mock treatment 560.0 -225.0 -0.5 160.0 -115.0 -0.3 -0.5612 -0.9689 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P21 mock treatment 500.0 -285.0 -0.63 80.0 -195.0 -0.5 -0.8004 -0.9934 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P22 mock treatment 1040.0 255.0 0.56 240.0 -35.0 -0.09 0.3357 0.5871 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P23 mock treatment 740.0 -45.0 -0.1 380.0 105.0 0.27 0.1203 0.4182 900.0017 EndoLuminesce(900.0017) AnnotationDevelopment 900.0017.1260 P24 mock treatment 460.0 -325.0 -0.72 220.0 -55.0 -0.14 -0.6088 -0.8301