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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A01 compound treatment 320.0 -284.0 -0.79 340.0 -60.3 -0.12 -0.6455 -0.8083 1727701 CBDivE_001281 Clc1ccc(cc1)C(=O)NCc2ccccn2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A02 compound treatment 180.0 -424.0 -1.18 180.0 -220.0 -0.45 -1.1526 -0.9138 1172968 CBDivE_001282 Brc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A03 compound treatment 500.0 -104.0 -0.29 320.0 -80.3 -0.17 -0.3215 -0.9645 1913201 CBDivE_001283 OC(=O)c1ccccc1C(=O)Nc2ccncc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A04 compound treatment 760.0 156.0 0.43 340.0 -60.3 -0.12 0.2176 0.4845 1913202 CBDivE_001284 O=C(NC(Sc1ccccc1)C(=O)c2ccccc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A05 compound treatment 840.0 236.0 0.65 380.0 -20.3 -0.04 0.4327 0.6606 1913203 CBDivE_001285 OC(=O)c1cc(cc([N+](=O)[O-])c1N2CCCC2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A06 compound treatment 640.0 35.6 0.1 200.0 -200.0 -0.41 -0.2212 -0.5225 1913204 CBDivE_001286 OC(=O)/C=C/c1ccc(o1)c2ccc(Br)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A07 compound treatment 260.0 -344.0 -0.96 320.0 -80.3 -0.17 -0.7923 -0.8172 1913205 CBDivE_001287 OC(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A08 compound treatment 780.0 176.0 0.49 220.0 -180.0 -0.37 0.0825 0.1347 1913206 CBDivE_001288 OC(=O)c1ccc(/N=C/c2ccc(O)cc2O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A09 compound treatment 640.0 35.6 0.1 240.0 -160.0 -0.33 -0.1631 -0.4741 1111875 CBDivE_001289 Brc1ccc(cc1)C(=O)COC(=O)C(c2ccccc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A10 compound treatment 720.0 116.0 0.32 200.0 -200.0 -0.41 -0.0643 -0.1232 1913207 CBDivE_001290 Oc1ccc(/C=N/c2ccc(cc2)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A11 compound treatment 1080.0 476.0 1.32 320.0 -80.3 -0.17 0.8163 0.6139 1318626 CBDivE_001291 OC(=O)CCC(=O)Nc1ccc(Br)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A12 compound treatment 960.0 356.0 0.99 220.0 -180.0 -0.37 0.4356 0.4133 1913208 CBDivE_001292 Oc1ccc(/C=N/c2cccc(c2)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A13 compound treatment 700.0 95.6 0.27 140.0 -260.0 -0.53 -0.1907 -0.3194 1398190 CBDivE_001293 CCOC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A14 compound treatment 800.0 196.0 0.54 320.0 -80.3 -0.17 0.267 0.4708 1913209 CBDivE_001294 COc1ccc(/N=C/c2ccc(O)cc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A15 compound treatment 760.0 156.0 0.43 340.0 -60.3 -0.12 0.2176 0.4845 1011962 CBDivE_001295 OC(=O)CCC(=O)Nc1ccc2ccccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A16 compound treatment 640.0 35.6 0.1 240.0 -160.0 -0.33 -0.1631 -0.4741 1913210 CBDivE_001296 COc1ccc(/N=C/c2cccc(c2)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A17 compound treatment 520.0 -84.4 -0.23 220.0 -180.0 -0.37 -0.4275 -0.9755 1913211 CBDivE_001297 OC(=O)/C=C\C(=O)Nc1ccc2ccccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A18 compound treatment 220.0 -384.0 -1.07 240.0 -160.0 -0.33 -0.987 -0.8843 1913212 CBDivE_001298 COc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A19 compound treatment 500.0 -104.0 -0.29 560.0 160.0 0.33 0.0273 0.0624 1913213 CBDivE_001299 OC(=O)/C=C\C(=O)Nc1ccc(Br)cc1C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A20 compound treatment 480.0 -124.0 -0.35 260.0 -140.0 -0.29 -0.4479 -0.996 1913214 CBDivE_001300 OCCc1ccc(/N=C/c2ccc(O)cc2O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A21 mock treatment 460.0 -144.0 -0.4 440.0 39.7 0.08 -0.2255 -0.5518 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A22 mock treatment 440.0 -164.0 -0.46 320.0 -80.3 -0.17 -0.4392 -0.9056 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A23 mock treatment 500.0 -104.0 -0.29 240.0 -160.0 -0.33 -0.4377 -0.9979 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 A24 mock treatment 420.0 -184.0 -0.51 260.0 -140.0 -0.29 -0.5656 -0.9632 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B01 compound treatment 200.0 -404.0 -1.12 260.0 -140.0 -0.29 -0.9971 -0.8609 1625427 CBDivE_001301 CN1C2C=CC(C3C2C(=O)N(Cc4ccccc4)C3=O)C1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B02 compound treatment 320.0 -284.0 -0.79 320.0 -80.3 -0.17 -0.6746 -0.8369 1269401 CBDivE_001302 COc1ccccc1C(=O)Nc2ccccc2C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B03 compound treatment 640.0 35.6 0.1 200.0 -200.0 -0.41 -0.2212 -0.5225 1913215 CBDivE_001303 [O-][N+](=O)c1cccc(c1)C(=O)c2ccc3C(=O)OC(=O)c3c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B04 compound treatment 960.0 356.0 0.99 900.0 500.0 1.03 1.4238 0.9998 1913216 CBDivE_001304 OC(=O)c1ccccc1NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B05 compound treatment 1180.0 576.0 1.6 320.0 -80.3 -0.17 1.0125 0.6307 1084629 CBDivE_001305 OC(=O)c1ccc(cc1)C(=O)c2ccc(cc2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B06 compound treatment 1100.0 496.0 1.37 740.0 340.0 0.7 1.4659 0.9506 1774445 CBDivE_001306 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc2cccc(c2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B07 compound treatment 880.0 276.0 0.76 320.0 -80.3 -0.17 0.424 0.542 1073911 CBDivE_001307 OC(=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B08 compound treatment 980.0 376.0 1.04 240.0 -160.0 -0.33 0.5039 0.461 1913217 CBDivE_001308 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc2cccc(N)c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B09 compound treatment 960.0 356.0 0.99 320.0 -80.3 -0.17 0.5809 0.5807 1913218 CBDivE_001309 O=C1OC(=O)c2cc(Oc3cccc(Oc4ccc5C(=O)OC(=O)c5c4)c3)ccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B10 compound treatment 1200.0 596.0 1.65 260.0 -140.0 -0.29 0.9645 0.575 1913219 CBDivE_001310 C/C(=N\OCO\N=C(\C)/c1ccc(cc1)[N+](=O)[O-])/c2ccc(cc2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B11 compound treatment 800.0 196.0 0.54 360.0 -40.3 -0.08 0.3252 0.5923 1333910 CBDivE_001311 Nc1ccc(Oc2ccc(cc2)C(=O)O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B12 compound treatment 1360.0 756.0 2.1 540.0 140.0 0.29 1.6853 0.7965 1729986 CBDivE_001312 Cc1ccccc1NC(=O)COc2ccccc2C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B13 compound treatment 900.0 296.0 0.82 260.0 -140.0 -0.29 0.376 0.4325 1774924 CBDivE_001313 OC(=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B14 compound treatment 820.0 216.0 0.6 240.0 -160.0 -0.33 0.19 0.2782 1913220 CBDivE_001314 Cc1ccccc1OCC(=O)Nc2ccc(cc2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B15 compound treatment 460.0 -144.0 -0.4 420.0 19.7 0.04 -0.2546 -0.6325 1913221 CBDivE_001315 Cc1ccc(Oc2cccc(c2)[N+](=O)[O-])cc1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B16 compound treatment 360.0 -244.0 -0.68 200.0 -200.0 -0.41 -0.7705 -0.9714 1913222 CBDivE_001316 Cc1ccccc1OCC(=O)Nc2cccc(c2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B17 compound treatment 400.0 -204.0 -0.57 320.0 -80.3 -0.17 -0.5176 -0.8766 1913223 CBDivE_001317 CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B18 compound treatment 520.0 -84.4 -0.23 260.0 -140.0 -0.29 -0.3694 -0.9946 1152000 CBDivE_001318 Cc1ccccc1OCC(=O)Nc2cccc(c2)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B19 compound treatment 440.0 -164.0 -0.46 320.0 -80.3 -0.17 -0.4392 -0.9056 1913224 CBDivE_001319 O=C1OC(=O)c2cc(Oc3ccc(cc3)S(=O)(=O)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4)ccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B20 compound treatment 640.0 35.6 0.1 560.0 160.0 0.33 0.3019 0.881 1558037 CBDivE_001320 Cc1ccccc1OCC(=O)Nc2ccccc2C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B21 mock treatment 360.0 -244.0 -0.68 320.0 -80.3 -0.17 -0.5961 -0.8543 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B22 mock treatment 240.0 -364.0 -1.01 320.0 -80.3 -0.17 -0.8315 -0.8118 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B23 mock treatment 520.0 -84.4 -0.23 160.0 -240.0 -0.49 -0.5147 -0.9418 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 B24 mock treatment 520.0 -84.4 -0.23 200.0 -200.0 -0.41 -0.4566 -0.9642 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C01 compound treatment 180.0 -424.0 -1.18 160.0 -240.0 -0.49 -1.1817 -0.9256 1913225 CBDivE_001321 OC(=O)/C=C\C(=O)Nc1ccc(cc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C02 compound treatment 360.0 -244.0 -0.68 240.0 -160.0 -0.33 -0.7123 -0.9451 1913226 CBDivE_001322 OCCc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C03 compound treatment 640.0 35.6 0.1 240.0 -160.0 -0.33 -0.1631 -0.4741 1347120 CBDivE_001323 OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C04 compound treatment 420.0 -184.0 -0.51 360.0 -40.3 -0.08 -0.4203 -0.8111 1913227 CBDivE_001324 Oc1ccccc1/N=C/c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C05 compound treatment 860.0 256.0 0.71 400.0 -0.313 0.0 0.501 0.7065 1316843 CBDivE_001325 CC(NC(=O)c1ccc(cc1)C(=O)NC(C)c2ccccc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C06 compound treatment 640.0 35.6 0.1 540.0 140.0 0.29 0.2729 0.8988 1913228 CBDivE_001326 Oc1ccc(/C=N/c2ccccc2O)c(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C07 compound treatment 740.0 136.0 0.38 320.0 -80.3 -0.17 0.1493 0.3635 1913229 CBDivE_001327 COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C08 compound treatment 760.0 156.0 0.43 320.0 -80.3 -0.17 0.1886 0.408 1913230 CBDivE_001328 Oc1ccc2ccccc2c1/C=N/c3ccccc3O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C09 compound treatment 900.0 296.0 0.82 240.0 -160.0 -0.33 0.3469 0.3925 1081835 CBDivE_001329 NC(=O)COc1ccc(Br)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C10 compound treatment 960.0 356.0 0.99 220.0 -180.0 -0.37 0.4356 0.4133 1913231 CBDivE_001330 OC(=O)CCN1C(=O)c2cccc3cccc(C1=O)c23 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C11 compound treatment 1140.0 536.0 1.49 220.0 -180.0 -0.37 0.7887 0.515 1049682 CBDivE_001331 Oc1ccc(N=Nc2ccccn2)c(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C12 compound treatment 700.0 95.6 0.27 400.0 -0.313 0.0 0.1871 0.7054 1913232 CBDivE_001332 OC(=O)CN1C(=O)/C(=C\Nc2ccccc2)/SC1=S 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C13 compound treatment 1100.0 496.0 1.37 320.0 -80.3 -0.17 0.8555 0.6178 1913233 CBDivE_001333 c1nc(oc1c2ccccc2)c3ccc(cc3)c4cnc(o4)c5ccccc5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C14 compound treatment 420.0 -184.0 -0.51 320.0 -80.3 -0.17 -0.4784 -0.8901 1230247 CBDivE_001334 Nc1cc(ccc1Nc2ccccc2)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C15 compound treatment 500.0 -104.0 -0.29 440.0 39.7 0.08 -0.1471 -0.4889 1913234 CBDivE_001335 [O-][N+](=O)c1ccc(cc1)N2N=C(/C(=C\c3ccc(Br)cc3)/C2=O)c4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C16 compound treatment 380.0 -224.0 -0.62 320.0 -80.3 -0.17 -0.5569 -0.8647 3003634 CBDivE_001336 CCN1/C(=C/c2sc3ccc(O)cc3[n+]2CC)/C=Cc4ccccc14.Cc1ccc(cc1)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C17 compound treatment 400.0 -204.0 -0.57 320.0 -80.3 -0.17 -0.5176 -0.8766 1913236 CBDivE_001337 [O-][N+](=O)c1ccc(cc1)N2N=C(/C(=C\c3ccccc3F)/C2=O)c4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C18 compound treatment 320.0 -284.0 -0.79 320.0 -80.3 -0.17 -0.6746 -0.8369 1913237 CBDivE_001338 CCO/C(=C/c1sc2ccccc2[n+]1CCCS(=O)(=O)O)/C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C19 compound treatment 420.0 -184.0 -0.51 380.0 -20.3 -0.04 -0.3912 -0.7623 1913238 CBDivE_001339 COc1ccc(/C=C\2/C(=O)N(N=C2c3ccccc3)c4ccc(cc4)[N+](=O)[O-])cc1OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C20 compound treatment 420.0 -184.0 -0.51 440.0 39.7 0.08 -0.304 -0.5869 3105836 CBDivE_001340 CCn1c(/C=C/C=C/2\SCCN2C)[n+](CC)c3cc(Cl)ccc13.Cc1ccc(cc1)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C21 mock treatment 260.0 -344.0 -0.96 340.0 -60.3 -0.12 -0.7632 -0.7922 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C22 mock treatment 340.0 -264.0 -0.73 260.0 -140.0 -0.29 -0.7225 -0.9168 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C23 mock treatment 400.0 -204.0 -0.57 260.0 -140.0 -0.29 -0.6048 -0.9508 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 C24 mock treatment 420.0 -184.0 -0.51 580.0 180.0 0.37 -0.1006 -0.1594 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D01 compound treatment 120.0 -484.0 -1.34 240.0 -160.0 -0.33 -1.1831 -0.8551 1715893 CBDivE_001341 Cc1ccccc1OCC(=O)Nc2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D02 compound treatment 460.0 -144.0 -0.4 400.0 -0.313 0.0 -0.2837 -0.7082 1579970 CBDivE_001342 Cc1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D03 compound treatment 740.0 136.0 0.38 320.0 -80.3 -0.17 0.1493 0.3635 1125894 CBDivE_001343 Nc1cccc(c1)C(=O)Oc2cccc(OC(=O)c3cccc(N)c3)c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D04 compound treatment 740.0 136.0 0.38 520.0 120.0 0.25 0.44 0.9788 1913240 CBDivE_001344 [O-][N+](=O)c1cccc(c1)C(=O)Nc2nc[nH]n2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D05 compound treatment 820.0 216.0 0.6 460.0 59.7 0.12 0.5097 0.8347 1913241 CBDivE_001345 [O-][N+](=O)c1ccc(Oc2ccc3c(=O)c(=O)c4cccc2c43)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D06 compound treatment 640.0 35.6 0.1 400.0 -0.313 0.0 0.0694 0.7025 1913242 CBDivE_001346 OC(=O)c1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D07 compound treatment 900.0 296.0 0.82 400.0 -0.313 0.0 0.5795 0.7066 1619611 CBDivE_001347 Cc1cc(OC(=O)c2ccc(N)cc2)cc(OC(=O)c3ccc(N)cc3)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D08 compound treatment 480.0 -124.0 -0.35 400.0 -0.313 0.0 -0.2444 -0.7084 1913243 CBDivE_001348 OC(=O)c1cccc(NCN2C(=O)c3ccc(Br)cc3C2=O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D09 compound treatment 960.0 356.0 0.99 220.0 -180.0 -0.37 0.4356 0.4133 1332763 CBDivE_001349 Cc1cc(OC(=O)c2cccc(N)c2)cc(OC(=O)c3cccc(N)c3)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D10 compound treatment 980.0 376.0 1.04 220.0 -180.0 -0.37 0.4748 0.4293 1228614 CBDivE_001350 Oc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D11 compound treatment 1200.0 596.0 1.65 240.0 -160.0 -0.33 0.9354 0.5552 1913244 CBDivE_001351 Nc1ccc(cc1)C(=O)Oc2ccccc2c3ccccc3OC(=O)c4ccc(N)cc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D12 compound treatment 780.0 176.0 0.49 380.0 -20.3 -0.04 0.315 0.6442 1288008 CBDivE_001352 O=C1N(CNc2ccc(OCc3ccccc3)cc2)C(=O)c4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D13 compound treatment 1020.0 416.0 1.15 180.0 -220.0 -0.45 0.4952 0.3997 1575815 CBDivE_001353 Nc1cccc(c1)C(=O)Oc2ccc(cc2)c3ccc(OC(=O)c4cccc(N)c4)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D14 compound treatment 520.0 -84.4 -0.23 480.0 79.7 0.16 -0.0497 -0.174 1653424 CBDivE_001354 O=C1N(CNc2ccc(Oc3ccccc3)cc2)C(=O)c4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D15 compound treatment 640.0 35.6 0.1 480.0 79.7 0.16 0.1857 0.9708 1480672 CBDivE_001355 CC(C)(c1ccc(OC(=O)c2ccc(N)cc2)cc1)c3ccc(OC(=O)c4ccc(N)cc4)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D16 compound treatment 320.0 -284.0 -0.79 200.0 -200.0 -0.41 -0.8489 -0.954 1575616 CBDivE_001356 OC(=O)c1ccccc1NCN2C(=O)c3ccccc3C2=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D17 compound treatment 360.0 -244.0 -0.68 360.0 -40.3 -0.08 -0.538 -0.7877 1913245 CBDivE_001357 [O-][N+](=O)c1ccccc1N2C(=O)C3C(C4c5ccccc5C3c6ccccc46)C2=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D18 compound treatment 360.0 -244.0 -0.68 260.0 -140.0 -0.29 -0.6833 -0.9275 1913246 CBDivE_001358 O=C1N(CNc2ccc3ccccc3c2)C(=O)c4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D19 compound treatment 580.0 -24.4 -0.07 420.0 19.7 0.04 -0.0192 -0.2437 1913247 CBDivE_001359 Nc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2Cc4c(OC(=O)c5ccc(N)cc5)ccc6ccccc46 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D20 compound treatment 120.0 -484.0 -1.34 320.0 -80.3 -0.17 -1.0669 -0.788 1913248 CBDivE_001360 COc1ccc(NCN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D21 mock treatment 520.0 -84.4 -0.23 220.0 -180.0 -0.37 -0.4275 -0.9755 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D22 mock treatment 340.0 -264.0 -0.73 580.0 180.0 0.37 -0.2575 -0.3136 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D23 mock treatment 220.0 -384.0 -1.07 220.0 -180.0 -0.37 -1.016 -0.9 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 D24 mock treatment 240.0 -364.0 -1.01 180.0 -220.0 -0.45 -1.0349 -0.9344 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E01 compound treatment 420.0 -184.0 -0.51 320.0 -80.3 -0.17 -0.4784 -0.8901 1913249 CBDivE_001361 CN(C)c1ccc(/C=C\2/C(=O)N(N=C2c3ccccc3)c4ccc(Br)cc4)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E02 compound treatment 1380.0 776.0 2.15 500.0 99.7 0.2 1.6664 0.7709 3105877 CBDivE_001362 C/C(=C\c1sc2ccccc2[n+]1CCO)/C=C/3\Sc4ccccc4N3CCO.Cc1ccc(cc1)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E03 compound treatment 1220.0 616.0 1.71 260.0 -140.0 -0.29 1.0037 0.5795 1913251 CBDivE_001363 CN(C)c1ccc(/C=C\2/C(=O)N(N=C2c3ccccc3)c4ccc(cc4)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E04 compound treatment 1100.0 496.0 1.37 340.0 -60.3 -0.12 0.8846 0.6408 1913252 CBDivE_001364 OC(=O)CN1C(=O)S/C(=C\C=C/2\SCCN2CCCS(=O)(=O)O)/C1=S 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E05 compound treatment 1020.0 416.0 1.15 640.0 240.0 0.49 1.1636 0.9281 1913253 CBDivE_001365 Cc1cc(=O)n(c(=O)[nH]1)C(C)(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E06 compound treatment 1200.0 596.0 1.65 320.0 -80.3 -0.17 1.0517 0.6333 1913254 CBDivE_001366 OC(=O)CN1C(=O)/C(=C\c2cccc(O)c2)/SC1=S 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E07 compound treatment 1200.0 596.0 1.65 260.0 -140.0 -0.29 0.9645 0.575 1913255 CBDivE_001367 COc1ccc(OC)c(c1)C(C2C(=O)CC(C)(C)CC2=O)C3=C(O)CC(C)(C)CC3=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E08 compound treatment 1280.0 676.0 1.87 360.0 -40.3 -0.08 1.2668 0.6752 1913256 CBDivE_001368 OC(=O)CN1C(=O)/C(=C\c2cccc(c2)[N+](=O)[O-])/SC1=S 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E09 compound treatment 1100.0 496.0 1.37 540.0 140.0 0.29 1.1752 0.8367 1913257 CBDivE_001369 OC(=O)CSC/1CCCC\C1=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E10 compound treatment 1060.0 456.0 1.26 560.0 160.0 0.33 1.1258 0.8621 1913258 CBDivE_001370 OC(=O)CN1C(=O)/C(=C\c2ccc(cc2)[N+](=O)[O-])/SC1=S 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E11 compound treatment 960.0 356.0 0.99 180.0 -220.0 -0.45 0.3775 0.3477 1913259 CBDivE_001371 C[C@H](NC(=O)CCl)c1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E12 compound treatment 660.0 55.6 0.15 260.0 -140.0 -0.29 -0.0948 -0.2898 1913260 CBDivE_001372 CCN1/C(=C\2/SC(=S)N(CC(=O)O)C2=O)/C=Cc3cc(OC)ccc13 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E13 compound treatment 640.0 35.6 0.1 360.0 -40.3 -0.08 0.0113 0.0876 3003680 CBDivE_001373 CC1(C)Cc2nc3ccccc3c(NCc4ccccc4)c2C=C1.OC(=O)c1ccccc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E14 compound treatment 520.0 -84.4 -0.23 240.0 -160.0 -0.33 -0.3985 -0.986 1913261 CBDivE_001374 OS(=O)(=O)CCCN1/C(=C\2/SC(=S)N(C2=O)c3ccccc3)/Sc4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E15 compound treatment 500.0 -104.0 -0.29 320.0 -80.3 -0.17 -0.3215 -0.9645 1645058 CBDivE_001375 CN1CCC2=C(C1)C(=O)NC3(CCCCC3)N2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E16 compound treatment 440.0 -164.0 -0.46 320.0 -80.3 -0.17 -0.4392 -0.9056 1913262 CBDivE_001376 CCN1/C(=C\2/SC(=S)N(CC(=O)O)C2=O)/C=Cc3cc(C)ccc13 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E17 compound treatment 580.0 -24.4 -0.07 360.0 -40.3 -0.08 -0.1064 -0.9949 1913263 CBDivE_001377 CCC1(CC)C(=N)N(C)C(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E18 compound treatment 640.0 35.6 0.1 360.0 -40.3 -0.08 0.0113 0.0876 1913264 CBDivE_001378 CCN1/C(=C\2/SC(=S)N(CC(=O)O)C2=O)/C=Cc3ccccc13 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E19 compound treatment 320.0 -284.0 -0.79 440.0 39.7 0.08 -0.5002 -0.6306 1913265 CBDivE_001379 CCCCN1C(=N)C(CC)(CC)C(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E20 compound treatment 320.0 -284.0 -0.79 400.0 -0.313 0.0 -0.5583 -0.7077 1913266 CBDivE_001380 OC(=O)CN1C(=O)/C(=C\2/Sc3ccccc3N2CCCS(=O)(=O)O)/SC1=S 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E21 mock treatment 660.0 55.6 0.15 260.0 -140.0 -0.29 -0.0948 -0.2898 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E22 mock treatment 700.0 95.6 0.27 360.0 -40.3 -0.08 0.129 0.4642 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E23 mock treatment 500.0 -104.0 -0.29 260.0 -140.0 -0.29 -0.4087 -1.0 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 E24 mock treatment 560.0 -44.4 -0.12 340.0 -60.3 -0.12 -0.1747 -1.0 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F01 compound treatment 880.0 276.0 0.76 260.0 -140.0 -0.29 0.3368 0.4121 1390935 CBDivE_001381 OC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F02 compound treatment 1280.0 676.0 1.87 380.0 -20.3 -0.04 1.2958 0.6912 1774441 CBDivE_001382 [O-][N+](=O)c1ccc2C(=O)N(CNc3ccc(OCc4ccccc4)cc3)C(=O)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F03 compound treatment 1320.0 716.0 1.99 660.0 260.0 0.53 1.7812 0.8664 1913267 CBDivE_001383 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F04 compound treatment 900.0 296.0 0.82 460.0 59.7 0.12 0.6667 0.8039 1774382 CBDivE_001384 OC(=O)c1cccc(NCN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F05 compound treatment 760.0 156.0 0.43 860.0 460.0 0.94 0.9733 0.937 1326171 CBDivE_001385 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc4ccccc4c3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F06 compound treatment 1140.0 536.0 1.49 640.0 240.0 0.49 1.399 0.8937 1913268 CBDivE_001386 Brc1ccc2C(=O)N(CNc3ccc4c(c3)oc5ccccc54)C(=O)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F07 compound treatment 1360.0 756.0 2.1 780.0 380.0 0.78 2.034 0.9094 1774415 CBDivE_001387 CN1C(=O)c2ccc(cc2C1=O)N3C(=O)c4ccc(cc4C3=O)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F08 compound treatment 1180.0 576.0 1.6 540.0 140.0 0.29 1.3322 0.8211 1253218 CBDivE_001388 COc1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F09 compound treatment 1360.0 756.0 2.1 640.0 240.0 0.49 1.8306 0.8501 1248808 CBDivE_001389 OC(=O)c1ccc(Oc2ccc(cc2)C(=O)c3ccc(cc3)C(=O)O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F10 compound treatment 680.0 75.6 0.21 720.0 320.0 0.66 0.6129 0.8887 1913269 CBDivE_001390 Cc1ccc(C)n1c2ccc(Oc3ccccc3)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F11 compound treatment 700.0 95.6 0.27 660.0 260.0 0.53 0.565 0.9479 1130767 CBDivE_001391 OC(=O)c1ccc(Oc2ccc(cc2)C(=O)c3ccccc3)cc1C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F12 compound treatment 520.0 -84.4 -0.23 480.0 79.7 0.16 -0.0497 -0.174 1774711 CBDivE_001392 Cc1ccc(C)n1c2ccc(Oc3ccc(cc3)n4c(C)ccc4C)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F13 compound treatment 320.0 -284.0 -0.79 520.0 120.0 0.25 -0.3839 -0.4646 1489599 CBDivE_001393 O=C(Oc1ccccc1)c2ccc(Oc3ccc(cc3)C(=O)Oc4ccccc4)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F14 compound treatment 660.0 55.6 0.15 480.0 79.7 0.16 0.2249 0.9996 1774386 CBDivE_001394 Cc1ccc(C)n1c2ccc(Oc3cccc(Oc4ccc(cc4)n5c(C)ccc5C)c3)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F15 compound treatment 480.0 -124.0 -0.35 380.0 -20.3 -0.04 -0.2735 -0.7869 1343270 CBDivE_001395 OC(=O)c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)O)c(c3)C(=O)O)cc2)c(c1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F16 compound treatment 380.0 -224.0 -0.62 340.0 -60.3 -0.12 -0.5278 -0.8316 1913270 CBDivE_001396 C[C@H]1CCC/C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/[C@H]1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F17 compound treatment 580.0 -24.4 -0.07 480.0 79.7 0.16 0.068 0.3837 1457262 CBDivE_001397 Cc1ccc(cc1C)C(=O)c2ccc(Oc3ccccc3)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F18 compound treatment 860.0 256.0 0.71 460.0 59.7 0.12 0.5882 0.8173 1075921 CBDivE_001398 COc1ccc(NC(=O)c2cccc(c2)C(=O)Nc3ccc(OC)cc3)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F19 compound treatment 440.0 -164.0 -0.46 460.0 59.7 0.12 -0.2357 -0.4991 1913271 CBDivE_001399 Clc1ccc(cc1Cl)N2C(=O)C3C(N4C5C(C(N4C3C2=O)c6ccccc6)C(=O)N(C5=O)c7ccc(Cl)c(Cl)c7)c8ccccc8 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F20 compound treatment 500.0 -104.0 -0.29 560.0 160.0 0.33 0.0273 0.0624 1913272 CBDivE_001400 CN(C)c1nc(NC(=O)Nc2cccc3ccccc23)nc(/C=C/c4ccco4)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F21 mock treatment 440.0 -164.0 -0.46 260.0 -140.0 -0.29 -0.5264 -0.9756 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F22 mock treatment 640.0 35.6 0.1 460.0 59.7 0.12 0.1566 0.9943 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F23 mock treatment 560.0 -44.4 -0.12 200.0 -200.0 -0.41 -0.3781 -0.8801 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 F24 mock treatment 480.0 -124.0 -0.35 200.0 -200.0 -0.41 -0.5351 -0.9961 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G01 compound treatment 980.0 376.0 1.04 240.0 -160.0 -0.33 0.5039 0.461 1913265 CBDivE_001401 CCCCN1C(=N)C(CC)(CC)C(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G02 compound treatment 1620.0 1020.0 2.82 400.0 -0.313 0.0 1.9919 0.7069 1913273 CBDivE_001402 CCN1/C(=C\C=C\2/SC(=S)N(C2=O)c3ccccc3)/SC(=C1c4ccccc4)c5ccccc5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G03 compound treatment 1340.0 736.0 2.04 460.0 59.7 0.12 1.5298 0.7483 1913274 CBDivE_001403 CCC(C)C1(CC)C(=N)NC(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G04 compound treatment 1100.0 496.0 1.37 820.0 420.0 0.86 1.5821 0.9748 1913275 CBDivE_001404 O=C/1N(Cc2ccccc2)C(=S)S\C1=C\Nc3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G05 compound treatment 540.0 -64.4 -0.18 240.0 -160.0 -0.33 -0.3592 -0.9586 1913276 CBDivE_001405 CCCCC1(CC)C(=N)NC(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G06 compound treatment 200.0 -404.0 -1.12 320.0 -80.3 -0.17 -0.91 -0.8025 1913277 CBDivE_001406 O=C/1N(Cc2ccccc2)C(=S)S\C1=C\C=C\C=C\Nc3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G07 compound treatment 1300.0 696.0 1.93 400.0 -0.313 0.0 1.3641 0.7069 1913278 CBDivE_001407 CCCC(C)C1(CC)C(=N)NC(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G08 compound treatment 1460.0 856.0 2.37 200.0 -200.0 -0.41 1.3873 0.5759 1913279 CBDivE_001408 CC(=O)N(/C=C/C=C/C=C\1/SC(=S)N(C1=O)c2ccccc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G09 compound treatment 1360.0 756.0 2.1 320.0 -80.3 -0.17 1.3656 0.6494 1913280 CBDivE_001409 CCCC1(CCC)C(=N)NC(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G10 compound treatment 980.0 376.0 1.04 400.0 -0.313 0.0 0.7364 0.7067 1913281 CBDivE_001410 CN(N=c1c(=O)c2ccccc2c1=O)C(=N)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G11 compound treatment 660.0 55.6 0.15 360.0 -40.3 -0.08 0.0505 0.2885 1913282 CBDivE_001411 CCCCC1(CCCC)C(=N)NC(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G12 compound treatment 460.0 -144.0 -0.4 360.0 -40.3 -0.08 -0.3418 -0.8357 1913283 CBDivE_001412 Clc1cccc(c1)N(Cc2ccc(Cl)cc2Cl)C(=O)c3ccc(Cl)cc3Cl 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G13 compound treatment 520.0 -84.4 -0.23 640.0 240.0 0.49 0.1828 0.3352 1913284 CBDivE_001413 CCC1(CC)C(=O)NC(=NCc2ccccc2)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G14 compound treatment 580.0 -24.4 -0.07 760.0 360.0 0.74 0.4749 0.6398 1913285 CBDivE_001414 Clc1ccc(cc1)C(=O)N(Cc2ccc(Cl)cc2Cl)c3cccc(Cl)c3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G15 compound treatment 380.0 -224.0 -0.62 440.0 39.7 0.08 -0.3825 -0.6092 1114595 CBDivE_001415 CCC1(CC)C(=O)NC(=S)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G16 compound treatment 680.0 75.6 0.21 380.0 -20.3 -0.04 0.1188 0.5555 1913286 CBDivE_001416 Cc1nonc1N=c2c(=O)c3ccccc3c2=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G17 compound treatment 680.0 75.6 0.21 380.0 -20.3 -0.04 0.1188 0.5555 1030417 CBDivE_001417 CCC1(CC)C(=N)NC(=S)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G18 compound treatment 1000.0 396.0 1.1 380.0 -20.3 -0.04 0.7466 0.6797 1913287 CBDivE_001418 C/C(=N\NC(=O)COc1ccc2ccccc2c1)/c3ccc(Cl)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G19 compound treatment 700.0 95.6 0.27 240.0 -160.0 -0.33 -0.0454 -0.1073 1913288 CBDivE_001419 FC(F)(F)C(=O)c1c[nH]c2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G20 compound treatment 640.0 35.6 0.1 260.0 -140.0 -0.29 -0.134 -0.4397 1913289 CBDivE_001420 CC(C)c1ccc(cc1)/C(=N/NC(=O)COc2ccc3ccccc3c2)/C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G21 mock treatment 540.0 -64.4 -0.18 500.0 99.7 0.2 0.0186 0.0684 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G22 mock treatment 440.0 -164.0 -0.46 420.0 19.7 0.04 -0.2938 -0.6418 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G23 mock treatment 640.0 35.6 0.1 500.0 99.7 0.2 0.2148 0.9441 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 G24 mock treatment 740.0 136.0 0.38 640.0 240.0 0.49 0.6144 0.9912 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H01 compound treatment 1200.0 596.0 1.65 180.0 -220.0 -0.45 0.8482 0.4951 1048033 CBDivE_001421 OC(=O)c1cccc(NC(=O)c2ccccc2)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H02 compound treatment 1420.0 816.0 2.26 340.0 -60.3 -0.12 1.5123 0.6674 1913290 CBDivE_001422 CC1(C)CC(CC(C)(C)N1)/N=C/c2c[nH]c3ccccc23 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H03 compound treatment 1680.0 1080.0 2.98 460.0 59.7 0.12 2.1967 0.7356 1052670 CBDivE_001423 CN(c1ccccc1N(C)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H04 compound treatment 1120.0 516.0 1.43 240.0 -160.0 -0.33 0.7785 0.5304 1913291 CBDivE_001424 O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc3cccc4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H05 compound treatment 960.0 356.0 0.99 200.0 -200.0 -0.41 0.4065 0.3803 1913292 CBDivE_001425 COc1ccc(cc1)C(=C(C)C)OC(=O)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H06 compound treatment 1060.0 456.0 1.26 100.0 -300.0 -0.62 0.4574 0.3251 1913293 CBDivE_001426 CC(C)(C)c1cc(/C=N/C2CC(C)(C)NC(C)(C)C2)cc(c1O)C(C)(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H07 compound treatment 1620.0 1020.0 2.82 500.0 99.7 0.2 2.1372 0.7565 1409129 CBDivE_001427 Cc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H08 compound treatment 1680.0 1080.0 2.98 580.0 180.0 0.37 2.3711 0.7886 1913294 CBDivE_001428 Oc1cc(O)nc(/N=C/2\C(=O)Nc3ccccc23)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H09 compound treatment 1460.0 856.0 2.37 360.0 -40.3 -0.08 1.6199 0.682 1014454 CBDivE_001429 O=c1oc(nc2ccccc12)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H10 compound treatment 820.0 216.0 0.6 560.0 160.0 0.33 0.655 0.9601 1054138 CBDivE_001430 Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H11 compound treatment 500.0 -104.0 -0.29 320.0 -80.3 -0.17 -0.3215 -0.9645 1913295 CBDivE_001431 Nc1ccc(cc1)C(=O)/C=C/c2cccc(c2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H12 compound treatment 460.0 -144.0 -0.4 140.0 -260.0 -0.53 -0.6615 -0.9898 1913296 CBDivE_001432 S(c1nc2ccccc2s1)c3nc(Sc4nc5ccccc5s4)nc(Sc6nc7ccccc7s6)n3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H13 compound treatment 500.0 -104.0 -0.29 240.0 -160.0 -0.33 -0.4377 -0.9979 1913297 CBDivE_001433 [O-][N+](=O)c1ccc(Oc2ccc(cc2)C3(c4ccccc4-c5ccccc53)c6ccc(Oc7ccc(cc7)[N+](=O)[O-])cc6)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H14 compound treatment 460.0 -144.0 -0.4 320.0 -80.3 -0.17 -0.3999 -0.9232 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H15 compound treatment 540.0 -64.4 -0.18 340.0 -60.3 -0.12 -0.2139 -0.9841 1913299 CBDivE_001435 COc1ccccc1OC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H16 compound treatment 960.0 356.0 0.99 240.0 -160.0 -0.33 0.4646 0.4467 1183356 CBDivE_001436 COC(=O)C(c1ccccc1)C2(O)CC(C)N(C)CC2C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H17 compound treatment 400.0 -204.0 -0.57 360.0 -40.3 -0.08 -0.4595 -0.8019 1913300 CBDivE_001437 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Oc2ccc(cc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H18 compound treatment 800.0 196.0 0.54 420.0 19.7 0.04 0.4124 0.7577 1913301 CBDivE_001438 CCOC(=O)c1c(C)nc2c3ccccc3oc(=N)c2c1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H19 compound treatment 580.0 -24.4 -0.07 320.0 -80.3 -0.17 -0.1645 -0.9224 1913302 CBDivE_001439 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Oc2ccc3ccccc3c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H20 compound treatment 780.0 176.0 0.49 780.0 380.0 0.78 0.8963 0.9743 1324852 CBDivE_001440 CC1CC(O)(Cc2ccc(C)cc2)C(C)CN1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H21 mock treatment 460.0 -144.0 -0.4 320.0 -80.3 -0.17 -0.3999 -0.9232 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H22 mock treatment 840.0 236.0 0.65 240.0 -160.0 -0.33 0.2292 0.3132 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H23 mock treatment 680.0 75.6 0.21 380.0 -20.3 -0.04 0.1188 0.5555 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 H24 mock treatment 680.0 75.6 0.21 340.0 -60.3 -0.12 0.0607 0.2491 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I01 compound treatment 1980.0 1380.0 3.82 680.0 280.0 0.57 3.1049 0.8045 3105917 CBDivE_001441 Nc1c2CCCc2nc3CCCc31.OC(=O)c1cncc(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I02 compound treatment 1500.0 896.0 2.48 200.0 -200.0 -0.41 1.4658 0.582 1913303 CBDivE_001442 C/C(=N\NC(=O)COc1ccc2ccccc2c1)/c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I03 compound treatment 1300.0 696.0 1.93 460.0 59.7 0.12 1.4513 0.7505 3003681 CBDivE_001443 Nc1c2CCCc2nc3CCCCc13.OC(=O)c1cncc(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I04 compound treatment 720.0 116.0 0.32 500.0 99.7 0.2 0.3717 0.9765 1913304 CBDivE_001444 Cc1ccc(/C=C\2/SC(=N)NC2=O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I05 compound treatment 1400.0 796.0 2.21 960.0 560.0 1.15 2.3741 0.9538 3105920 CBDivE_001445 Nc1c2CCCc2nc3ccccc13.OC(=O)c1cncc(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I06 compound treatment 1300.0 696.0 1.93 120.0 -280.0 -0.58 0.9572 0.4753 1913305 CBDivE_001446 OCC(=O)N/N=C/c1ccc(Br)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I07 compound treatment 1940.0 1340.0 3.71 560.0 160.0 0.33 2.8521 0.7667 3105921 CBDivE_001447 Nc1c2CCCCc2nc3ccccc13.OC(=O)c1cncc(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I08 compound treatment 1620.0 1020.0 2.82 380.0 -20.3 -0.04 1.9628 0.6966 1913306 CBDivE_001448 CN(C)c1ccc(/C=N/NC(=O)CO)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I09 compound treatment 1440.0 836.0 2.32 500.0 99.7 0.2 1.7841 0.7666 3105922 CBDivE_001449 Nc1c2CCCCCc2nc3ccccc13.OC(=O)c1cncc(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I10 compound treatment 760.0 156.0 0.43 640.0 240.0 0.49 0.6536 0.9978 1913307 CBDivE_001450 OCC(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I11 compound treatment 700.0 95.6 0.27 440.0 39.7 0.08 0.2453 0.8837 3105944 CBDivE_001451 CCc1nc2ccccc2c(N)c1C.OC(=O)c1cncc(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I12 compound treatment 640.0 35.6 0.1 320.0 -80.3 -0.17 -0.0468 -0.2434 1913308 CBDivE_001452 Brc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I13 compound treatment 740.0 136.0 0.38 840.0 440.0 0.9 0.905 0.9246 3105945 CBDivE_001453 CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.Nc1c2CCCc2nc3CCCc31 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I14 compound treatment 760.0 156.0 0.43 400.0 -0.313 0.0 0.3048 0.7061 1913309 CBDivE_001454 Oc1c(Br)cc(Br)cc1/C=N/NC(=O)CNC(=O)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I15 compound treatment 540.0 -64.4 -0.18 320.0 -80.3 -0.17 -0.243 -0.9992 3105946 CBDivE_001455 CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.Nc1c2CCCc2nc3CCCCc13 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I16 compound treatment 720.0 116.0 0.32 480.0 79.7 0.16 0.3426 0.9513 1913310 CBDivE_001456 Fc1ccccc1/C=N/NC(=O)CNC(=O)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I17 compound treatment 860.0 256.0 0.71 380.0 -20.3 -0.04 0.4719 0.6643 3105947 CBDivE_001457 Nc1c2CCCc2nc3CCCc31.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I18 compound treatment 640.0 35.6 0.1 480.0 79.7 0.16 0.1857 0.9708 1913311 CBDivE_001458 CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I19 compound treatment 780.0 176.0 0.49 440.0 39.7 0.08 0.4022 0.8142 3105948 CBDivE_001459 Nc1c2CCCc2nc3CCCCc13.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I20 compound treatment 980.0 376.0 1.04 1740.0 1340.0 2.75 2.6837 0.9116 1913312 CBDivE_001460 OCC(=O)N/N=C/c1ccc(O)cc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I21 mock treatment 640.0 35.6 0.1 340.0 -60.3 -0.12 -0.0178 -0.112 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I22 mock treatment 660.0 55.6 0.15 560.0 160.0 0.33 0.3412 0.9408 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I23 mock treatment 780.0 176.0 0.49 540.0 140.0 0.29 0.5475 0.9682 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 I24 mock treatment 660.0 55.6 0.15 460.0 59.7 0.12 0.1959 0.9935 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J01 compound treatment 1600.0 996.0 2.76 560.0 160.0 0.33 2.1851 0.7856 1913313 CBDivE_001461 Cc1ccc(OC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J02 compound treatment 1340.0 736.0 2.04 780.0 380.0 0.78 1.9948 0.913 1594222 CBDivE_001462 CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)N(C)CC1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J03 compound treatment 1400.0 796.0 2.21 340.0 -60.3 -0.12 1.4731 0.6663 1489837 CBDivE_001463 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Oc2ccc(C=O)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J04 compound treatment 1020.0 416.0 1.15 640.0 240.0 0.49 1.1636 0.9281 1464973 CBDivE_001464 OC(=O)c1cc(c2ccccc2)c(cn1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J05 compound treatment 1000.0 396.0 1.1 460.0 59.7 0.12 0.8628 0.7813 1008886 CBDivE_001465 CC(C)(C)c1ccc(OC(=O)c2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J06 compound treatment 1700.0 1100.0 3.04 800.0 400.0 0.82 2.7301 0.8671 1267778 CBDivE_001466 COc1ccc(SCCc2ccncc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J07 compound treatment 2360.0 1760.0 4.87 580.0 180.0 0.37 3.7051 0.7585 1872865 CBDivE_001467 [O-][N+](=O)c1cccc(c1)C(=O)Oc2ccc(cc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J08 compound treatment 1600.0 996.0 2.76 840.0 440.0 0.9 2.592 0.8919 1913314 CBDivE_001468 Fc1ccc(SCCc2ccncc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J09 compound treatment 1080.0 476.0 1.32 660.0 260.0 0.53 1.3104 0.9207 1913315 CBDivE_001469 O=Cc1ccc(OC(=O)c2ccco2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J10 compound treatment 820.0 216.0 0.6 960.0 560.0 1.15 1.2363 0.9536 1777569 CBDivE_001470 [O-][N+](=O)c1ccc(SCCc2ccccn2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J11 compound treatment 800.0 196.0 0.54 460.0 59.7 0.12 0.4705 0.8456 1913316 CBDivE_001471 CC(C)(C)c1ccc(OC(=O)c2ccco2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J12 compound treatment 580.0 -24.4 -0.07 900.0 500.0 1.03 0.6783 0.6591 1301683 CBDivE_001472 Cc1ccc(CCSc2ccc(F)cc2)cn1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J13 compound treatment 680.0 75.6 0.21 460.0 59.7 0.12 0.2351 0.9673 1315243 CBDivE_001473 O=C(Oc1ccc(cc1)C2CCCCC2)c3ccco3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J14 compound treatment 820.0 216.0 0.6 520.0 120.0 0.25 0.5969 0.9229 1913317 CBDivE_001474 OCCOc1ccc(cc1OCCO)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J15 compound treatment 660.0 55.6 0.15 520.0 120.0 0.25 0.283 0.9748 1054931 CBDivE_001475 O=C(Oc1ccc(cc1)c2ccccc2)c3ccco3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J16 compound treatment 580.0 -24.4 -0.07 680.0 280.0 0.57 0.3586 0.6196 1913318 CBDivE_001476 O=C1N(CCNCCN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J17 compound treatment 400.0 -204.0 -0.57 480.0 79.7 0.16 -0.2851 -0.4831 1120472 CBDivE_001477 Cc1ccccc1OCC(=O)Oc2ccc3ccccc3c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J18 compound treatment 660.0 55.6 0.15 660.0 260.0 0.53 0.4865 0.8757 1913319 CBDivE_001478 NCCOc1ccccc1OCCN 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J19 compound treatment 680.0 75.6 0.21 420.0 19.7 0.04 0.177 0.8282 1913320 CBDivE_001479 O=C(Oc1ccccc1)/C=C/c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J20 compound treatment 960.0 356.0 0.99 1020.0 620.0 1.27 1.5982 0.992 1913321 CBDivE_001480 C1CCN=C(NC1)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J21 mock treatment 720.0 116.0 0.32 660.0 260.0 0.53 0.6042 0.9703 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J22 mock treatment 820.0 216.0 0.6 680.0 280.0 0.57 0.8294 0.9998 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J23 mock treatment 1080.0 476.0 1.32 660.0 260.0 0.53 1.3104 0.9207 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 J24 mock treatment 480.0 -124.0 -0.35 340.0 -60.3 -0.12 -0.3316 -0.9045 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K01 compound treatment 1940.0 1340.0 3.71 440.0 39.7 0.08 2.6777 0.7225 3105949 CBDivE_001481 CCc1nc2ccccc2c(N)c1C.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K02 compound treatment 1280.0 676.0 1.87 580.0 180.0 0.37 1.5865 0.8305 1913322 CBDivE_001482 OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K03 compound treatment 800.0 196.0 0.54 640.0 240.0 0.49 0.7321 0.9988 3105950 CBDivE_001483 CCCc1nc2ccccc2c(N)c1CC.OC(=O)c1cc(=O)[nH]c(=O)[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K04 compound treatment 1020.0 416.0 1.15 560.0 160.0 0.33 1.0474 0.8737 1913323 CBDivE_001484 C(=N/c1ccc2nc(oc2c1)c3ccccc3)\c4c5ccccc5cc6ccccc46 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K05 compound treatment 1140.0 536.0 1.49 500.0 99.7 0.2 1.1956 0.7971 3105951 CBDivE_001485 Nc1c2CCCc2nc3CCCc31.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K06 compound treatment 2180.0 1580.0 4.37 320.0 -80.3 -0.17 2.9741 0.6799 1913324 CBDivE_001486 O/N=C(\Nc1ccccc1)/C(=N/O)/Nc2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K07 compound treatment 1600.0 996.0 2.76 580.0 180.0 0.37 2.2142 0.7946 3105952 CBDivE_001487 Nc1c2CCCc2nc3CCCCc13.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K08 compound treatment 1100.0 496.0 1.37 240.0 -160.0 -0.33 0.7393 0.5229 1913325 CBDivE_001488 COc1cccc(/C=N/c2ccc(cc2)N3CCOCC3)c1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K09 compound treatment 1220.0 616.0 1.71 580.0 180.0 0.37 1.4688 0.8406 3105953 CBDivE_001489 Nc1c2CCCc2nc3ccccc13.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K10 compound treatment 1020.0 416.0 1.15 660.0 260.0 0.53 1.1927 0.9387 1913326 CBDivE_001490 COc1ccc(NCN2C(=O)/C(=C\c3ccc(cc3)[N+](=O)[O-])/SC2=S)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K11 compound treatment 720.0 116.0 0.32 480.0 79.7 0.16 0.3426 0.9513 3105954 CBDivE_001491 CCc1nc2ccccc2c(N)c1C.OC(=O)c1cc(ccc1Cl)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K12 compound treatment 500.0 -104.0 -0.29 220.0 -180.0 -0.37 -0.4668 -0.9926 1913327 CBDivE_001492 FC(F)(F)C(=O)Nc1nnc([nH]1)c2nnc(NC(=O)C(F)(F)F)[nH]2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K13 compound treatment 460.0 -144.0 -0.4 240.0 -160.0 -0.33 -0.5162 -0.9953 1913328 CBDivE_001493 [O-][N+](=O)c1ccc(/C=C/C(=O)NCCc2ccccn2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K14 compound treatment 440.0 -164.0 -0.46 320.0 -80.3 -0.17 -0.4392 -0.9056 1913329 CBDivE_001494 COc1cccc(/C=N/c2ccc3nc(oc3c2)c4ccc(Br)cc4)c1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K15 compound treatment 860.0 256.0 0.71 220.0 -180.0 -0.37 0.2394 0.2992 1913330 CBDivE_001495 OS(=O)(=O)CCCN1/C(=C\C=N\c2ccccc2)/Sc3ccccc13 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K16 compound treatment 960.0 356.0 0.99 320.0 -80.3 -0.17 0.5809 0.5807 1913331 CBDivE_001496 Oc1ccc(/C=N/c2ccc3nc(oc3c2)c4cccc(I)c4)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K17 compound treatment 640.0 35.6 0.1 200.0 -200.0 -0.41 -0.2212 -0.5225 1913332 CBDivE_001497 OS(=O)(=O)CCCN/1CCS\C1=C\C=N\c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K18 compound treatment 960.0 356.0 0.99 320.0 -80.3 -0.17 0.5809 0.5807 1913333 CBDivE_001498 Oc1ccc(/C=N/c2ccc3nc(oc3c2)c4cccc(I)c4)c(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K19 compound treatment 440.0 -164.0 -0.46 320.0 -80.3 -0.17 -0.4392 -0.9056 3105959 CBDivE_001499 CCN1/C(=C\C=N\c2ccccc2)/SC(=C1c3ccccc3)c4ccccc4.Cc1ccc(cc1)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K20 compound treatment 460.0 -144.0 -0.4 260.0 -140.0 -0.29 -0.4871 -0.987 1913335 CBDivE_001500 COc1cccc(/C=N/c2ccc(NC(=O)C)cc2)c1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K21 mock treatment 900.0 296.0 0.82 420.0 19.7 0.04 0.6085 0.7411 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K22 mock treatment 820.0 216.0 0.6 240.0 -160.0 -0.33 0.19 0.2782 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K23 mock treatment 680.0 75.6 0.21 320.0 -80.3 -0.17 0.0316 0.1185 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 K24 mock treatment 760.0 156.0 0.43 480.0 79.7 0.16 0.4211 0.9119 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L01 compound treatment 960.0 356.0 0.99 420.0 19.7 0.04 0.7262 0.7355 1913336 CBDivE_001501 CC(C)(C)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L02 compound treatment 960.0 356.0 0.99 420.0 19.7 0.04 0.7262 0.7355 1913337 CBDivE_001502 Cc1ccc(cc1)S(=O)(=O)N2CCOCCOCCN(CCOCCOCC2)S(=O)(=O)c3ccc(C)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L03 compound treatment 1080.0 476.0 1.32 560.0 160.0 0.33 1.1651 0.8569 1913338 CBDivE_001503 O=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L04 compound treatment 880.0 276.0 0.76 360.0 -40.3 -0.08 0.4821 0.6268 1913339 CBDivE_001504 C(N1CCOCCOCCN(Cc2ccccc2)CCOCCOCC1)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L05 compound treatment 1280.0 676.0 1.87 320.0 -80.3 -0.17 1.2086 0.6424 1913340 CBDivE_001505 [O-][N+](=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L06 compound treatment 1600.0 996.0 2.76 320.0 -80.3 -0.17 1.8364 0.6637 1913341 CBDivE_001506 Nc1ccc(OCCO)c(OCCO)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L07 compound treatment 1220.0 616.0 1.71 660.0 260.0 0.53 1.585 0.8858 1913342 CBDivE_001507 COc1ccccc1OC(=O)/C=C/c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L08 compound treatment 960.0 356.0 0.99 240.0 -160.0 -0.33 0.4646 0.4467 1913343 CBDivE_001508 O=C(OCc1ccccc1)N2CCOCCOCCN(CCOCCOCC2)C(=O)OCc3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L09 compound treatment 960.0 356.0 0.99 680.0 280.0 0.57 1.1041 0.9669 1913344 CBDivE_001509 Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L10 compound treatment 860.0 256.0 0.71 640.0 240.0 0.49 0.8498 0.9841 1913345 CBDivE_001510 CC(C)(C)OC(=O)N1CCOCCOCCNCCOCCOCC1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L11 compound treatment 580.0 -24.4 -0.07 400.0 -0.313 0.0 -0.0483 -0.7138 1913346 CBDivE_001511 OC(=O)CSc1ccc(Cl)c(Cl)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L12 compound treatment 400.0 -204.0 -0.57 140.0 -260.0 -0.53 -0.7792 -0.9996 1913347 CBDivE_001512 OCCOc1ccc(Br)cc1OCCO 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L13 compound treatment 420.0 -184.0 -0.51 820.0 420.0 0.86 0.2482 0.2475 1913348 CBDivE_001513 [N-]=[N+]=NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N=[N+]=[N-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L14 compound treatment 760.0 156.0 0.43 500.0 99.7 0.2 0.4501 0.942 1090851 CBDivE_001514 C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L15 compound treatment 720.0 116.0 0.32 240.0 -160.0 -0.33 -0.0062 -0.0134 1913349 CBDivE_001515 [N-]=[N+]=Nc1ccc(Sc2ccc(Oc3ccc(Sc4ccc(N=[N+]=[N-])cc4)cc3)cc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L16 compound treatment 680.0 75.6 0.21 320.0 -80.3 -0.17 0.0316 0.1185 3105995 CBDivE_001516 Nc1ccc(cc1)C(=O)O.C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L17 compound treatment 720.0 116.0 0.32 460.0 59.7 0.12 0.3136 0.913 1913350 CBDivE_001517 [O-][N+](=O)c1ccc(cc1)c2nnc(o2)c3ccc(cc3)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L18 compound treatment 1120.0 516.0 1.43 500.0 99.7 0.2 1.1563 0.8002 3105996 CBDivE_001518 Nc1ccccc1[N+](=O)[O-].C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L19 compound treatment 640.0 35.6 0.1 320.0 -80.3 -0.17 -0.0468 -0.2434 1913351 CBDivE_001519 [N-]=[N+]=Nc1ccc(cc1)S(=O)(=O)c2cccc(N=[N+]=[N-])c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L20 compound treatment 840.0 236.0 0.65 320.0 -80.3 -0.17 0.3455 0.5125 3105997 CBDivE_001520 Nc1ccc(cc1)[N+](=O)[O-].C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L21 mock treatment 960.0 356.0 0.99 680.0 280.0 0.57 1.1041 0.9669 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L22 mock treatment 1040.0 436.0 1.21 460.0 59.7 0.12 0.9413 0.7749 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L23 mock treatment 500.0 -104.0 -0.29 960.0 560.0 1.15 0.6086 0.5131 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 L24 mock treatment 680.0 75.6 0.21 160.0 -240.0 -0.49 -0.2009 -0.3744 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M01 compound treatment 1380.0 776.0 2.15 400.0 -0.313 0.0 1.5211 0.7069 1913352 CBDivE_001521 C(=N/c1ccc2ncccc2c1)\c3c[nH]c4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M02 compound treatment 960.0 356.0 0.99 320.0 -80.3 -0.17 0.5809 0.5807 1913353 CBDivE_001522 CC(=O)Nc1ccc(/N=C/c2cccc(c2)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M03 compound treatment 760.0 156.0 0.43 320.0 -80.3 -0.17 0.1886 0.408 1913354 CBDivE_001523 NC(=N)N/N=C/c1c[nH]c2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M04 compound treatment 680.0 75.6 0.21 480.0 79.7 0.16 0.2642 0.9925 1913355 CBDivE_001524 Cc1nc(O)c(C(c2cc(ccc2O)[N+](=O)[O-])c3c(O)nc(C)nc3O)c(O)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M05 compound treatment 1040.0 436.0 1.21 380.0 -20.3 -0.04 0.825 0.6823 1913356 CBDivE_001525 CC1=NN(C(=O)C1N=Nc2ccc(C)cc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M06 compound treatment 1480.0 876.0 2.43 200.0 -200.0 -0.41 1.4266 0.579 1913357 CBDivE_001526 Clc1cccc(c1)N(Cc2ccc(Cl)cc2Cl)C(=O)c3ccc(Br)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M07 compound treatment 1140.0 536.0 1.49 220.0 -180.0 -0.37 0.7887 0.515 1913358 CBDivE_001527 CC1=NN(C(=O)C1N=Nc2ccc(O)cc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M08 compound treatment 860.0 256.0 0.71 380.0 -20.3 -0.04 0.4719 0.6643 1913359 CBDivE_001528 [O-][N+](=O)c1ccc-2c(Cc3cc(ccc32)C4CC4)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M09 compound treatment 740.0 136.0 0.38 240.0 -160.0 -0.33 0.0331 0.0661 1913360 CBDivE_001529 COc1cccc(N=NC2C(=NN(C2=O)c3ccccc3)C)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M10 compound treatment 580.0 -24.4 -0.07 220.0 -180.0 -0.37 -0.3098 -0.8226 1005158 CBDivE_001530 O=C(Nc1ccccc1)c2ccncc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M11 compound treatment 480.0 -124.0 -0.35 420.0 19.7 0.04 -0.2154 -0.6199 1043944 CBDivE_001531 OCCN(CCO)CCc1c[nH]c2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M12 compound treatment 640.0 35.6 0.1 220.0 -180.0 -0.37 -0.1921 -0.501 1774507 CBDivE_001532 OC(=O)c1cc(ccc1C(=O)Nc2cccc(c2)[N+](=O)[O-])[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M13 compound treatment 520.0 -84.4 -0.23 320.0 -80.3 -0.17 -0.2822 -0.9854 1913361 CBDivE_001533 COc1ccc(CCNCC(=O)c2c[nH]c3ccccc23)cc1OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M14 compound treatment 660.0 55.6 0.15 500.0 99.7 0.2 0.254 0.9902 1774502 CBDivE_001534 Cc1ccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M15 compound treatment 700.0 95.6 0.27 320.0 -80.3 -0.17 0.0709 0.2268 1913362 CBDivE_001535 O=C(CSCC(=O)c1c[nH]c2ccccc12)c3c[nH]c4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M16 compound treatment 160.0 -444.0 -1.23 340.0 -60.3 -0.12 -0.9594 -0.7743 1913363 CBDivE_001536 Cc1cccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M17 compound treatment 520.0 -84.4 -0.23 380.0 -20.3 -0.04 -0.195 -0.8203 1913364 CBDivE_001537 Cc1[nH]c2ccccc2c1C(=O)C3NCCS3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M18 compound treatment 640.0 35.6 0.1 640.0 240.0 0.49 0.4182 0.8324 1913365 CBDivE_001538 OC(=O)c1cc(ccc1C(=O)Nc2ccc(O)cc2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M19 compound treatment 580.0 -24.4 -0.07 480.0 79.7 0.16 0.068 0.3837 1913366 CBDivE_001539 Cc1[nH]c2ccccc2c1C(=O)CN3CCSC3C(=O)c4c(C)[nH]c5ccccc45 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M20 compound treatment 800.0 196.0 0.54 400.0 -0.313 0.0 0.3833 0.7063 1774506 CBDivE_001540 OC(=O)c1cccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M21 mock treatment 640.0 35.6 0.1 220.0 -180.0 -0.37 -0.1921 -0.501 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M22 mock treatment 760.0 156.0 0.43 320.0 -80.3 -0.17 0.1886 0.408 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M23 mock treatment 580.0 -24.4 -0.07 400.0 -0.313 0.0 -0.0483 -0.7138 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 M24 mock treatment 520.0 -84.4 -0.23 420.0 19.7 0.04 -0.1369 -0.5763 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N01 compound treatment 1200.0 596.0 1.65 260.0 -140.0 -0.29 0.9645 0.575 1913367 CBDivE_001541 FC(F)(F)COc1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N02 compound treatment 740.0 136.0 0.38 320.0 -80.3 -0.17 0.1493 0.3635 3003909 CBDivE_001542 Cc1ccc(cc1)S(=O)(=O)N.C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N03 compound treatment 1140.0 536.0 1.49 480.0 79.7 0.16 1.1665 0.7803 1913368 CBDivE_001543 [N-]=[N+]=Nc1ccc(Oc2ccc(cc2)C(=O)c3ccc(Oc4ccc(N=[N+]=[N-])cc4)cc3)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N04 compound treatment 1080.0 476.0 1.32 520.0 120.0 0.25 1.1069 0.8247 1913369 CBDivE_001544 O=C(CCN1C(=O)c2ccccc2C1=O)N3CCOCCOCCOCCOCCOCC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N05 compound treatment 1760.0 1160.0 3.21 340.0 -60.3 -0.12 2.1793 0.6793 1443022 CBDivE_001545 CC(C)(c1ccc(OC(=O)c2ccccc2)cc1)c3ccc(OC(=O)c4ccccc4)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N06 compound treatment 1700.0 1100.0 3.04 420.0 19.7 0.04 2.1778 0.7165 1913370 CBDivE_001546 O=C(CCN1C(=O)c2ccccc2C1=O)N3CCOCCOCCN(CCOCCOCC3)C(=O)CCN4C(=O)c5ccccc5C4=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N07 compound treatment 1320.0 716.0 1.99 400.0 -0.313 0.0 1.4034 0.7069 1913371 CBDivE_001547 CC(C)(c1ccc(OC(=O)c2cccc(c2)[N+](=O)[O-])cc1)c3ccc(OC(=O)c4cccc(c4)[N+](=O)[O-])cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N08 compound treatment 700.0 95.6 0.27 340.0 -60.3 -0.12 0.0999 0.3413 1401777 CBDivE_001548 C1COCCNCCOCCOCCOCCN1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N09 compound treatment 560.0 -44.4 -0.12 340.0 -60.3 -0.12 -0.1747 -1.0 1575164 CBDivE_001549 O=C(Sc1ccc(Oc2ccc(SC(=O)c3ccco3)cc2)cc1)c4ccco4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N10 compound treatment 680.0 75.6 0.21 360.0 -40.3 -0.08 0.0898 0.398 1913372 CBDivE_001550 NC(=O)CN1CCOCCOCCN(CC(=O)N)CCOCCOCC1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N11 compound treatment 700.0 95.6 0.27 320.0 -80.3 -0.17 0.0709 0.2268 1913373 CBDivE_001551 O=C(Sc1ccc(Sc2ccc(SC(=O)c3ccccc3)cc2)cc1)c4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N12 compound treatment 480.0 -124.0 -0.35 460.0 59.7 0.12 -0.1572 -0.4294 1913374 CBDivE_001552 O=C(CN1CCOCCOCCN(CC(=O)Nc2ccccc2)CCOCCOCC1)Nc3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N13 compound treatment 380.0 -224.0 -0.62 260.0 -140.0 -0.29 -0.6441 -0.9388 1913375 CBDivE_001553 O=C(Sc1ccc(Sc2ccc(SC(=O)c3ccco3)cc2)cc1)c4ccco4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N14 compound treatment 420.0 -184.0 -0.51 320.0 -80.3 -0.17 -0.4784 -0.8901 1913376 CBDivE_001554 Cc1ccc(cc1)S(=O)(=O)N2CCOCCOCCOCCN(CCOCC2)S(=O)(=O)c3ccc(C)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N15 compound treatment 480.0 -124.0 -0.35 560.0 160.0 0.33 -0.0119 -0.025 1059944 CBDivE_001555 Oc1ccc(cc1)C(=O)C(=O)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N16 compound treatment 680.0 75.6 0.21 680.0 280.0 0.57 0.5548 0.9067 1913377 CBDivE_001556 CC(C)(C)C1(C)O[C@H]([C@@H](O1)C(=O)N)C(=O)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N17 compound treatment 660.0 55.6 0.15 320.0 -80.3 -0.17 -0.0076 -0.0336 1913378 CBDivE_001557 Cc1ccc(cc1)C(=O)NNC(=O)c2ccc(N)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N18 compound treatment 680.0 75.6 0.21 360.0 -40.3 -0.08 0.0898 0.398 1913379 CBDivE_001558 CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N19 compound treatment 700.0 95.6 0.27 340.0 -60.3 -0.12 0.0999 0.3413 1913380 CBDivE_001559 [O-][N+](=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N20 compound treatment 1120.0 516.0 1.43 660.0 260.0 0.53 1.3889 0.9097 1913381 CBDivE_001560 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2OC(C)(C)O[C@H]2COS(=O)(=O)c3ccc(C)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N21 mock treatment 980.0 376.0 1.04 560.0 160.0 0.33 0.9689 0.8869 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N22 mock treatment 960.0 356.0 0.99 320.0 -80.3 -0.17 0.5809 0.5807 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N23 mock treatment 460.0 -144.0 -0.4 480.0 79.7 0.16 -0.1674 -0.3869 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 N24 mock treatment 520.0 -84.4 -0.23 320.0 -80.3 -0.17 -0.2822 -0.9854 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O01 compound treatment 1480.0 876.0 2.43 420.0 19.7 0.04 1.7463 0.7188 1913382 CBDivE_001561 CC(O)(C#CCO)c1ccc2ccccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O02 compound treatment 960.0 356.0 0.99 480.0 79.7 0.16 0.8134 0.8134 1774503 CBDivE_001562 OC(=O)c1ccc(NC(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O03 compound treatment 1020.0 416.0 1.15 400.0 -0.313 0.0 0.8149 0.7067 1583639 CBDivE_001563 CC(C)(O)C#CC(C)(O)c1ccc2ccccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O04 compound treatment 480.0 -124.0 -0.35 420.0 19.7 0.04 -0.2154 -0.6199 1136727 CBDivE_001564 CC1(C2C(C3c4ccccc41)C(=O)N(C2=O)c5ccc(Cl)cc5)c6ccccc36 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O05 compound treatment 1680.0 1080.0 2.98 580.0 180.0 0.37 2.3711 0.7886 1913383 CBDivE_001565 CC(O)(C#CC(C)(O)c1ccc2ccccc2c1)c3ccc4ccccc4c3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O06 compound treatment 2380.0 1780.0 4.93 640.0 240.0 0.49 3.8315 0.774 1913384 CBDivE_001566 OC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O07 compound treatment 1300.0 696.0 1.93 440.0 39.7 0.08 1.4223 0.7363 1913385 CBDivE_001567 O=C1N(CC2CO2)C(=O)c3cccc4cccc1c34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O08 compound treatment 740.0 136.0 0.38 480.0 79.7 0.16 0.3819 0.9306 1913386 CBDivE_001568 COc1ccc(/C=C/C2=NN(C(C2)c3ccc(OC)cc3)c4ccccc4)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O09 compound treatment 840.0 236.0 0.65 340.0 -60.3 -0.12 0.3746 0.563 1913387 CBDivE_001569 [O-][N+](=O)c1ccc2c(NC(=O)C2(Cl)Cl)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O10 compound treatment 640.0 35.6 0.1 200.0 -200.0 -0.41 -0.2212 -0.5225 1774513 CBDivE_001570 OC(=O)c1cccc(c1)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O11 compound treatment 540.0 -64.4 -0.18 740.0 340.0 0.7 0.3674 0.5098 1913388 CBDivE_001571 [O-][N+](=O)c1ccc(C#Cc2ccc3cc4ccccc4cc3c2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O12 compound treatment 340.0 -264.0 -0.73 640.0 240.0 0.49 -0.1703 -0.1928 1913389 CBDivE_001572 O=C1CS/C(=N\c2ccccc2)/N1c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O13 compound treatment 760.0 156.0 0.43 860.0 460.0 0.94 0.9733 0.937 1913390 CBDivE_001573 NCCSc1c2ccccc2c(SCCN)c3ccccc13 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O14 compound treatment 260.0 -344.0 -0.96 480.0 79.7 0.16 -0.5597 -0.5775 1913391 CBDivE_001574 CC(=O)Nc1ccc(cc1)N2C(=O)c3ccc(N)cc3C2=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O15 compound treatment 560.0 -44.4 -0.12 320.0 -80.3 -0.17 -0.2038 -0.9896 1913392 CBDivE_001575 Clc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O16 compound treatment 440.0 -164.0 -0.46 220.0 -180.0 -0.37 -0.5845 -0.9947 1648014 CBDivE_001576 S=c1n(CN2CCCCC2)c3ccccc3n1CN4CCCCC4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O17 compound treatment 480.0 -124.0 -0.35 320.0 -80.3 -0.17 -0.3607 -0.943 1913393 CBDivE_001577 ClC(Cl)(Cl)C(NC(=O)c1ccco1)NC(=S)Nc2ccc(Br)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O18 compound treatment 780.0 176.0 0.49 720.0 320.0 0.66 0.8091 0.9892 1913394 CBDivE_001578 Clc1ccc(cc1Cl)N2N=C(CC2c3ccc(Br)cc3)/C=C/c4ccc(Br)cc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O19 compound treatment 560.0 -44.4 -0.12 500.0 99.7 0.2 0.0578 0.2419 1529101 CBDivE_001579 Clc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O20 compound treatment 540.0 -64.4 -0.18 640.0 240.0 0.49 0.222 0.4238 1774923 CBDivE_001580 OC(=O)c1ccc(cc1C(=O)O)C(=O)c2cccc(c2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O21 mock treatment 660.0 55.6 0.15 520.0 120.0 0.25 0.283 0.9748 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O22 mock treatment 640.0 35.6 0.1 400.0 -0.313 0.0 0.0694 0.7025 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O23 mock treatment 640.0 35.6 0.1 640.0 240.0 0.49 0.4182 0.8324 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 O24 mock treatment 640.0 35.6 0.1 520.0 120.0 0.25 0.2438 0.9198 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P01 compound treatment 880.0 276.0 0.76 440.0 39.7 0.08 0.5984 0.7781 1913395 CBDivE_001581 O=C(Nc1ccc2ccccc2c1)/C=C/c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P02 compound treatment 860.0 256.0 0.71 580.0 180.0 0.37 0.7626 0.9538 1913396 CBDivE_001582 NC(=N)Nc1nc2ccccc2c(=O)[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P03 compound treatment 740.0 136.0 0.38 440.0 39.7 0.08 0.3237 0.8409 1913397 CBDivE_001583 [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(c3)[N+](=O)[O-])c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P04 compound treatment 960.0 356.0 0.99 240.0 -160.0 -0.33 0.4646 0.4467 1913398 CBDivE_001584 Ic1ccc2nc[nH]c(=O)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P05 compound treatment 1840.0 1240.0 3.43 200.0 -200.0 -0.41 2.1328 0.6177 1913399 CBDivE_001585 O=C(Oc1ccc(cc1)C2(c3ccccc3-c4ccccc42)c5ccc(OC(=O)c6ccccc6)cc5)c7ccccc7 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P06 compound treatment 1500.0 896.0 2.48 580.0 180.0 0.37 2.018 0.8034 1913400 CBDivE_001586 Cc1nc2ccc(I)cc2c(=O)[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P07 compound treatment 1160.0 556.0 1.54 320.0 -80.3 -0.17 0.9732 0.6278 1913401 CBDivE_001587 O=C(Oc1ccc(cc1)C2(OC(=O)c3ccccc32)c4ccc(OC(=O)c5ccccc5)cc4)c6ccccc6 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P08 compound treatment 780.0 176.0 0.49 480.0 79.7 0.16 0.4603 0.8956 1913402 CBDivE_001588 Oc1ccc(/C=N/Nc2nnn[nH]2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P09 compound treatment 740.0 136.0 0.38 160.0 -240.0 -0.49 -0.0832 -0.134 1913403 CBDivE_001589 CN(C)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P10 compound treatment 520.0 -84.4 -0.23 320.0 -80.3 -0.17 -0.2822 -0.9854 1913404 CBDivE_001590 Nc1nnnn1/N=C/c2ccc(O)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P11 compound treatment 500.0 -104.0 -0.29 460.0 59.7 0.12 -0.118 -0.3753 1913405 CBDivE_001591 [O-][N+](=O)c1cc(ccc1Cl)c2nc3ccccc3nc2c4ccc(Cl)c(c4)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P12 compound treatment 440.0 -164.0 -0.46 360.0 -40.3 -0.08 -0.381 -0.8221 1913406 CBDivE_001592 Oc1ccc(/C=N/Nc2nnn[nH]2)c(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P13 compound treatment 540.0 -64.4 -0.18 320.0 -80.3 -0.17 -0.243 -0.9992 1009056 CBDivE_001593 c1ccc2nc3c4ccccc4c5ccccc5c3nc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P14 compound treatment 560.0 -44.4 -0.12 240.0 -160.0 -0.33 -0.32 -0.9099 1913407 CBDivE_001594 Fc1ccccc1/C=N/Nc2nnn[nH]2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P15 compound treatment 560.0 -44.4 -0.12 560.0 160.0 0.33 0.145 0.4137 1913408 CBDivE_001595 CC/1CCCC\C1=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P16 compound treatment 340.0 -264.0 -0.73 180.0 -220.0 -0.45 -0.8388 -0.9731 1913409 CBDivE_001596 Nc1nnnn1/N=C/c2ccc(O)cc2O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P17 compound treatment 320.0 -284.0 -0.79 480.0 79.7 0.16 -0.442 -0.5486 1315790 CBDivE_001597 Cc1ccc(cc1)C(=O)Nc2cccc(O)c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P18 compound treatment 760.0 156.0 0.43 360.0 -40.3 -0.08 0.2467 0.5612 1913410 CBDivE_001598 Oc1ccc(/C=N/Nc2nnn[nH]2)cc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P19 compound treatment 760.0 156.0 0.43 580.0 180.0 0.37 0.5664 0.997 1867038 CBDivE_001599 Oc1ccc(NC(=O)c2cccc(c2)[N+](=O)[O-])cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P20 compound treatment 840.0 236.0 0.65 420.0 19.7 0.04 0.4908 0.7494 1913411 CBDivE_001600 Nc1nnnn1/N=C/c2ccc(O)c(O)c2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P21 mock treatment 720.0 116.0 0.32 480.0 79.7 0.16 0.3426 0.9513 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P22 mock treatment 540.0 -64.4 -0.18 580.0 180.0 0.37 0.1348 0.3287 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P23 mock treatment 680.0 75.6 0.21 360.0 -40.3 -0.08 0.0898 0.398 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1258 P24 mock treatment 800.0 196.0 0.54 540.0 140.0 0.29 0.5867 0.9557 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A01 mock treatment 460.0 47.7 0.13 320.0 -279.0 -0.57 -0.3114 -0.5296 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A02 mock treatment 540.0 128.0 0.35 240.0 -359.0 -0.74 -0.2707 -0.3309 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A03 compound treatment 460.0 47.7 0.13 500.0 -98.7 -0.2 -0.0498 -0.2055 1011216 NCIStruc1_000001 NC(=S)SCCC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A04 compound treatment 320.0 -92.3 -0.26 480.0 -119.0 -0.24 -0.3535 -0.9997 2513 NCIStruc1_000002 OC(=O)CNCP(=O)(O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A05 compound treatment 160.0 -252.0 -0.7 380.0 -219.0 -0.45 -0.8127 -0.9771 1003335 NCIStruc1_000003 OC(=O)CC(CC(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A06 compound treatment 320.0 -92.3 -0.26 400.0 -199.0 -0.41 -0.4697 -0.9747 2078125 NCIStruc1_000004 OC(=O)CSCCc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A07 compound treatment 360.0 -52.3 -0.14 400.0 -199.0 -0.41 -0.3913 -0.9029 1013356 NCIStruc1_000005 NCC(=O)Nc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A08 compound treatment 220.0 -192.0 -0.53 420.0 -179.0 -0.37 -0.6368 -0.9834 2121606 NCIStruc1_000006 OC(=O)/C=C/C(=O)Nc1ccccn1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A09 compound treatment 380.0 -32.3 -0.09 360.0 -239.0 -0.49 -0.4102 -0.8225 2121607 NCIStruc1_000007 C[C@@H](N)[C@@H](C)Cc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A10 compound treatment 440.0 27.7 0.08 320.0 -279.0 -0.57 -0.3506 -0.6066 1060346 NCIStruc1_000008 C(N1CCOCC1)c2ncc[nH]2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A11 compound treatment 320.0 -92.3 -0.26 420.0 -179.0 -0.37 -0.4407 -0.9844 1023644 NCIStruc1_000009 Oc1cc(CF)nc(S)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A12 compound treatment 320.0 -92.3 -0.26 120.0 -479.0 -0.98 -0.8766 -0.8624 2121608 NCIStruc1_000010 C/C(=N\CC(=O)O)/c1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A13 compound treatment 880.0 468.0 1.3 360.0 -239.0 -0.49 0.5707 0.4114 2121609 NCIStruc1_000011 Cc1c[n+](=O)c2ccccc2[n+]1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A14 compound treatment 320.0 -92.3 -0.26 220.0 -379.0 -0.78 -0.7313 -0.8926 2121610 NCIStruc1_000012 N[C@@H](CC(=O)N)C(=O)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A15 compound treatment 320.0 -92.3 -0.26 340.0 -259.0 -0.53 -0.5569 -0.9438 2121611 NCIStruc1_000013 N[C@]1(CCC[C@@H]1C(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A16 compound treatment 160.0 -252.0 -0.7 260.0 -339.0 -0.7 -0.9871 -1.0 2121612 NCIStruc1_000014 C[C@@](N)(/C=C/c1ccccc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A17 compound treatment 400.0 -12.3 -0.03 540.0 -58.7 -0.12 -0.1094 -0.8724 1039200 NCIStruc1_000015 CN(C)Cc1c[nH]c2ncnc(O)c12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A18 compound treatment 260.0 -152.0 -0.42 500.0 -98.7 -0.2 -0.4421 -0.9435 1098994 NCIStruc1_000016 OC(=O)Cn1ccnc1[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A19 compound treatment 100.0 -312.0 -0.87 440.0 -159.0 -0.33 -0.8432 -0.9109 1043570 NCIStruc1_000017 Nc1cccc2nsnc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A20 compound treatment 120.0 -292.0 -0.81 560.0 -38.7 -0.08 -0.6296 -0.7728 2121613 NCIStruc1_000018 C[C@@H](NC(=O)C1(N)CCCC1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A21 compound treatment 380.0 -32.3 -0.09 400.0 -199.0 -0.41 -0.352 -0.8421 1026338 NCIStruc1_000019 Nc1nc(Cl)cc(NCCO)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A22 compound treatment 320.0 -92.3 -0.26 460.0 -139.0 -0.29 -0.3826 -0.9986 2121614 NCIStruc1_000020 C[C@H](OP(=O)(O)O)[C@H](N)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A23 mock treatment 320.0 -92.3 -0.26 260.0 -339.0 -0.7 -0.6732 -0.9077 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 A24 mock treatment 180.0 -232.0 -0.64 160.0 -439.0 -0.9 -1.0931 -0.9864 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B01 mock treatment 340.0 -72.3 -0.2 380.0 -219.0 -0.45 -0.4596 -0.9338 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B02 mock treatment 320.0 -92.3 -0.26 340.0 -259.0 -0.53 -0.5569 -0.9438 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B03 compound treatment 380.0 -32.3 -0.09 340.0 -259.0 -0.53 -0.4392 -0.8147 2121615 NCIStruc1_000021 CSCC[C@@H](N)P(=O)(C)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B04 compound treatment 220.0 -192.0 -0.53 700.0 101.0 0.21 -0.2299 -0.4016 2121616 NCIStruc1_000022 C[N+](C)(C)[C@H](Cc1c[nH]c(=S)[nH]1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B05 compound treatment 160.0 -252.0 -0.7 640.0 41.3 0.08 -0.4348 -0.6168 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B06 compound treatment 580.0 168.0 0.47 640.0 41.3 0.08 0.3891 0.8225 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B07 compound treatment 320.0 -92.3 -0.26 680.0 81.3 0.17 -0.0628 -0.2056 2121619 NCIStruc1_000025 COc1ccc(CC[N@+]2(C)COc3cc4oc(=O)cc(C)c4cc3C2)cc1OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B08 compound treatment 400.0 -12.3 -0.03 500.0 -98.7 -0.2 -0.1675 -0.8143 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B09 compound treatment 380.0 -32.3 -0.09 380.0 -219.0 -0.45 -0.3811 -0.8316 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B10 compound treatment 420.0 7.74 0.02 480.0 -119.0 -0.24 -0.1573 -0.6424 3066021 NCIStruc1_000028 N[Cu]N.SC#N.c1ccc2ncccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B11 compound treatment 440.0 27.7 0.08 500.0 -98.7 -0.2 -0.089 -0.4103 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B12 compound treatment 320.0 -92.3 -0.26 360.0 -239.0 -0.49 -0.5279 -0.954 2121624 NCIStruc1_000030 C[C@H]1c2c3C(=O)c4cccc(OP(=O)(O)OCc5ccccc5)c4C(=O)c3cn2Cc6ccccc16 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B13 compound treatment 340.0 -72.3 -0.2 420.0 -179.0 -0.37 -0.4014 -0.9594 2080299 NCIStruc1_000031 COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(O)c(CN5CCN(C)CC5)c4)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B14 compound treatment 160.0 -252.0 -0.7 580.0 -18.7 -0.04 -0.522 -0.7448 1004016 NCIStruc1_000032 OC(=O)CCCc1ccc2ccccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B15 compound treatment 340.0 -72.3 -0.2 480.0 -119.0 -0.24 -0.3143 -0.9952 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B16 compound treatment 260.0 -152.0 -0.42 580.0 -18.7 -0.04 -0.3259 -0.7683 1004721 NCIStruc1_000034 OC(=O)CSc1ccccc1C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B17 compound treatment 340.0 -72.3 -0.2 320.0 -279.0 -0.57 -0.5468 -0.901 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B18 compound treatment 180.0 -232.0 -0.64 420.0 -179.0 -0.37 -0.7153 -0.9645 1009297 NCIStruc1_000036 Cc1cc(Cc2cc(C)c(N)cc2N)c(N)cc1N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B19 compound treatment 240.0 -172.0 -0.48 400.0 -199.0 -0.41 -0.6267 -0.9969 2121627 NCIStruc1_000037 FC(F)(F)c1cc(NC(=S)N2[C@@H](c3cccn3-c4ccccc24)c5cccnc5)cc(c1)C(F)(F)F 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B20 compound treatment 340.0 -72.3 -0.2 400.0 -199.0 -0.41 -0.4305 -0.9463 2121628 NCIStruc1_000038 C[C@H](CN(C)C)C(C#N)(c1ccccc1)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B21 compound treatment 780.0 368.0 1.02 220.0 -379.0 -0.78 0.171 0.1333 2080281 NCIStruc1_000039 Nc1ccc(c2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)cc2)c(c1)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B22 compound treatment 260.0 -152.0 -0.42 420.0 -179.0 -0.37 -0.5584 -0.9976 2080191 NCIStruc1_000040 CCCCN(c1ccccc1)c2ncnc3n(C)ncc23 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B23 mock treatment 260.0 -152.0 -0.42 180.0 -419.0 -0.86 -0.9072 -0.9463 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 B24 mock treatment 340.0 -72.3 -0.2 320.0 -279.0 -0.57 -0.5468 -0.901 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C01 mock treatment 460.0 47.7 0.13 460.0 -139.0 -0.29 -0.1079 -0.3433 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C02 mock treatment 400.0 -12.3 -0.03 360.0 -239.0 -0.49 -0.3709 -0.7543 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C03 compound treatment 500.0 87.7 0.24 380.0 -219.0 -0.45 -0.1457 -0.2851 847 NCIStruc1_000041 CC(=CCC/C(=C/CO)/C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C04 compound treatment 180.0 -232.0 -0.64 240.0 -359.0 -0.74 -0.9769 -0.9977 1033069 NCIStruc1_000042 OC(=O)CNCCc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C05 compound treatment 380.0 -32.3 -0.09 260.0 -339.0 -0.7 -0.5555 -0.7915 1011235 NCIStruc1_000043 NNC(=O)CCSc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C06 compound treatment 460.0 47.7 0.13 640.0 41.3 0.08 0.1537 0.9769 2121629 NCIStruc1_000044 NCCC[C@@H](N)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C07 compound treatment 320.0 -92.3 -0.26 320.0 -279.0 -0.57 -0.586 -0.9341 1013703 NCIStruc1_000045 OC(=O)CNc1ccc(cc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C08 compound treatment 100.0 -312.0 -0.87 1080.0 481.0 0.99 0.0869 0.0661 1050041 NCIStruc1_000046 OC(=O)Cc1c[nH]c2ccc(F)cc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C09 compound treatment 320.0 -92.3 -0.26 440.0 -159.0 -0.33 -0.4116 -0.9928 1027509 NCIStruc1_000047 CCOC(=O)CCCN 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C10 compound treatment 320.0 -92.3 -0.26 440.0 -159.0 -0.33 -0.4116 -0.9928 2080232 NCIStruc1_000048 COc1ccc2c(C)cc(C)nc2n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C11 compound treatment 180.0 -232.0 -0.64 580.0 -18.7 -0.04 -0.4828 -0.748 1025087 NCIStruc1_000049 OC(=O)CCc1nc2ccccc2[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C12 compound treatment 200.0 -212.0 -0.59 900.0 301.0 0.62 0.0215 0.0251 1062533 NCIStruc1_000050 NCCSCCC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C13 compound treatment 240.0 -172.0 -0.48 640.0 41.3 0.08 -0.2779 -0.5726 1032156 NCIStruc1_000051 OC(=O)CSC1=NCCN1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C14 compound treatment 320.0 -92.3 -0.26 400.0 -199.0 -0.41 -0.4697 -0.9747 2080645 NCIStruc1_000052 NCCSCCc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C15 compound treatment 360.0 -52.3 -0.14 560.0 -38.7 -0.08 -0.1588 -0.9601 1035121 NCIStruc1_000053 Oc1c[n+](CC[n+]2cc(O)on2)no1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C16 compound treatment 220.0 -192.0 -0.53 360.0 -239.0 -0.49 -0.724 -0.9991 2121630 NCIStruc1_000054 NCC[C@@H](N)CSP(=O)(O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C17 compound treatment 380.0 -32.3 -0.09 380.0 -219.0 -0.45 -0.3811 -0.8316 2121631 NCIStruc1_000055 OC(=O)C/C(=C/c1ccco1)/C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C18 compound treatment 220.0 -192.0 -0.53 320.0 -279.0 -0.57 -0.7822 -0.9994 1092153 NCIStruc1_000056 Cc1ncc([N+](=O)[O-])n1CCN=[N+]=[N-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C19 compound treatment 320.0 -92.3 -0.26 380.0 -219.0 -0.45 -0.4988 -0.9644 1000287 NCIStruc1_000057 OC(=O)CC(O)(CC(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C20 compound treatment 80.0 -332.0 -0.92 320.0 -279.0 -0.57 -1.0568 -0.9738 2121632 NCIStruc1_000058 NNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C21 compound treatment 260.0 -152.0 -0.42 400.0 -199.0 -0.41 -0.5874 -0.9999 1047542 NCIStruc1_000059 C1CN2CCCN1C2c3ccncc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C22 compound treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 2121633 NCIStruc1_000060 C[C@@H](C[C@H](N)C(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C23 mock treatment 640.0 228.0 0.63 340.0 -259.0 -0.53 0.0708 0.0857 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 C24 mock treatment 200.0 -212.0 -0.59 740.0 141.0 0.29 -0.2111 -0.3215 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D01 mock treatment 120.0 -292.0 -0.81 980.0 381.0 0.78 -0.0192 -0.017 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D02 mock treatment 360.0 -52.3 -0.14 760.0 161.0 0.33 0.1319 0.3645 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D03 compound treatment 400.0 -12.3 -0.03 760.0 161.0 0.33 0.2103 0.6313 2121634 NCIStruc1_000061 N[C@H](CC(=O)N)C(=O)OCC#C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D04 compound treatment 780.0 368.0 1.02 320.0 -279.0 -0.57 0.3164 0.2704 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D05 compound treatment 980.0 568.0 1.58 560.0 -38.7 -0.08 1.0575 0.6705 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D06 compound treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D07 compound treatment 360.0 -52.3 -0.14 640.0 41.3 0.08 -0.0425 -0.2531 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D08 compound treatment 180.0 -232.0 -0.64 500.0 -98.7 -0.2 -0.5991 -0.8868 2121639 NCIStruc1_000066 OC(=O)C1=C/C(=C(/c2ccccc2)\c3cc(C(=O)O)c(O)c4ccccc34)/c5ccccc5C1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D09 compound treatment 180.0 -232.0 -0.64 520.0 -78.7 -0.16 -0.57 -0.858 2121640 NCIStruc1_000067 COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1O)c32)cc67)ccc5O)cc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D10 compound treatment 320.0 -92.3 -0.26 480.0 -119.0 -0.24 -0.3535 -0.9997 1002843 NCIStruc1_000068 OS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D11 compound treatment 320.0 -92.3 -0.26 760.0 161.0 0.33 0.0534 0.1275 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D12 compound treatment 200.0 -212.0 -0.59 480.0 -119.0 -0.24 -0.5889 -0.9239 2121639 NCIStruc1_000070 OC(=O)C1=C/C(=C(/c2ccccc2)\c3cc(C(=O)O)c(O)c4ccccc34)/c5ccccc5C1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D13 compound treatment 220.0 -192.0 -0.53 840.0 241.0 0.5 -0.0265 -0.0364 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D14 compound treatment 140.0 -272.0 -0.76 420.0 -179.0 -0.37 -0.7938 -0.9451 2121642 NCIStruc1_000072 CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)CSC#N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D15 compound treatment 320.0 -92.3 -0.26 260.0 -339.0 -0.7 -0.6732 -0.9077 3065523 NCIStruc1_000073 CCCc1ccncc1.NC(N)(N)[NH2+][O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D16 compound treatment 140.0 -272.0 -0.76 380.0 -219.0 -0.45 -0.8519 -0.9693 1007972 NCIStruc1_000074 OC(=O)CC1(CC(=O)O)Nc2ccccc2SC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D17 compound treatment 180.0 -232.0 -0.64 360.0 -239.0 -0.49 -0.8025 -0.9909 2121644 NCIStruc1_000075 O=C1[C@@H]2[C@@H]([C@H]3c4ccccc4[C@@H]2c5cccc[n+]35)C(=O)N1c6ccc(OCc7ccccc7)cc6 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D18 compound treatment 260.0 -152.0 -0.42 380.0 -219.0 -0.45 -0.6165 -0.9995 2121645 NCIStruc1_000076 CC1(C)[C@@H]2CC[C@@]1(CC(=O)O)[C@@H](Cl)C2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D19 compound treatment 340.0 -72.3 -0.2 320.0 -279.0 -0.57 -0.5468 -0.901 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D20 compound treatment 260.0 -152.0 -0.42 320.0 -279.0 -0.57 -0.7037 -0.9888 2121647 NCIStruc1_000078 OC(=O)C/C(=C/c1ccccc1)/C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D21 compound treatment 140.0 -272.0 -0.76 480.0 -119.0 -0.24 -0.7066 -0.8902 2121648 NCIStruc1_000079 CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5ccccc45)C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D22 compound treatment 260.0 -152.0 -0.42 340.0 -259.0 -0.53 -0.6746 -0.9935 2121649 NCIStruc1_000080 C[C@@H](O)COc1ccc(cc1N)[As](=O)(O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D23 mock treatment 320.0 -92.3 -0.26 660.0 61.3 0.13 -0.0919 -0.3222 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 D24 mock treatment 240.0 -172.0 -0.48 200.0 -399.0 -0.82 -0.9173 -0.967 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E01 mock treatment 380.0 -32.3 -0.09 1020.0 421.0 0.87 0.5489 0.6307 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E02 mock treatment 360.0 -52.3 -0.14 480.0 -119.0 -0.24 -0.275 -0.9691 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E03 compound treatment 260.0 -152.0 -0.42 820.0 221.0 0.45 0.0229 0.0369 2121650 NCIStruc1_000081 CC[C@@H](CS(=O)(=O)O)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E04 compound treatment 260.0 -152.0 -0.42 640.0 41.3 0.08 -0.2387 -0.554 1032711 NCIStruc1_000082 Nc1cc(nc(O)n1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E05 compound treatment 640.0 228.0 0.63 820.0 221.0 0.45 0.7683 0.987 1011397 NCIStruc1_000083 OCCNc1ncnc2[nH]cnc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E06 compound treatment 220.0 -192.0 -0.53 1280.0 681.0 1.4 0.6129 0.4091 2239 NCIStruc1_000084 OC(=O)CP(=O)(O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E07 compound treatment 420.0 7.74 0.02 1080.0 481.0 0.99 0.7146 0.7223 2121651 NCIStruc1_000085 NC(=O)N[C@H](CC(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E08 compound treatment 320.0 -92.3 -0.26 740.0 141.0 0.29 0.0243 0.0629 1055568 NCIStruc1_000086 CCN=C=NCCCN(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E09 compound treatment 720.0 308.0 0.85 540.0 -58.7 -0.12 0.5184 0.6012 2081408 NCIStruc1_000087 OCCCNc1ncnc2[nH]ncc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E10 compound treatment 580.0 168.0 0.47 640.0 41.3 0.08 0.3891 0.8225 1061773 NCIStruc1_000088 OC(=O)CC(CC(=O)O)n1cccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E11 compound treatment 260.0 -152.0 -0.42 660.0 61.3 0.13 -0.2096 -0.4755 1025082 NCIStruc1_000089 Cc1ccc(cc1)[n+]2cc(O)on2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E12 compound treatment 340.0 -72.3 -0.2 720.0 121.0 0.25 0.0345 0.1079 1021975 NCIStruc1_000090 NNc1nncn1N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E13 compound treatment 260.0 -152.0 -0.42 640.0 41.3 0.08 -0.2387 -0.554 1029007 NCIStruc1_000091 C(Cc1ccccn1)N2CCOCC2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E14 compound treatment 240.0 -172.0 -0.48 480.0 -119.0 -0.24 -0.5104 -0.9513 1081577 NCIStruc1_000092 CCNC(=N)CSS(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E15 compound treatment 200.0 -212.0 -0.59 480.0 -119.0 -0.24 -0.5889 -0.9239 2121652 NCIStruc1_000093 CCOC(=O)C(C)(C)[C@H](O)C(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E16 compound treatment 320.0 -92.3 -0.26 440.0 -159.0 -0.33 -0.4116 -0.9928 2121653 NCIStruc1_000094 OC(=O)[C@H](CC=C)c1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E17 compound treatment 220.0 -192.0 -0.53 440.0 -159.0 -0.33 -0.6078 -0.9722 1040190 NCIStruc1_000095 OCCCNCc1ccncc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E18 compound treatment 120.0 -292.0 -0.81 860.0 261.0 0.54 -0.1936 -0.1991 2121654 NCIStruc1_000096 CC(=O)/C=N/CC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E19 compound treatment 320.0 -92.3 -0.26 540.0 -58.7 -0.12 -0.2663 -0.9411 1040509 NCIStruc1_000097 C(Cc1ccccn1)c2cccnc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E20 compound treatment 320.0 -92.3 -0.26 820.0 221.0 0.45 0.1406 0.2694 1002076 NCIStruc1_000098 CCN(CC(=O)O)CC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E21 compound treatment 240.0 -172.0 -0.48 320.0 -279.0 -0.57 -0.7429 -0.9959 1048725 NCIStruc1_000099 CCOC(=S)SCC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E22 compound treatment 140.0 -272.0 -0.76 540.0 -58.7 -0.12 -0.6194 -0.8098 2121655 NCIStruc1_000100 CCSCC[C@H](N)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E23 mock treatment 320.0 -92.3 -0.26 440.0 -159.0 -0.33 -0.4116 -0.9928 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 E24 mock treatment 660.0 248.0 0.69 640.0 41.3 0.08 0.546 0.7884 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F01 mock treatment 580.0 168.0 0.47 660.0 61.3 0.13 0.4181 0.8673 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F02 mock treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F03 compound treatment 400.0 -12.3 -0.03 1000.0 401.0 0.82 0.5591 0.6774 1536337 NCIStruc1_000101 Brc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(Br)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F04 compound treatment 320.0 -92.3 -0.26 880.0 281.0 0.58 0.2278 0.3603 1012223 NCIStruc1_000102 OCCNS(=O)(=O)c1ccc([As]=O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F05 compound treatment 100.0 -312.0 -0.87 1160.0 561.0 1.15 0.2031 0.1408 2117396 NCIStruc1_000103 COc1cc(ccc1O)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)c3ccc(O)c(OC)c3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F06 compound treatment 320.0 -92.3 -0.26 1100.0 501.0 1.03 0.5475 0.5158 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-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F07 compound treatment 200.0 -212.0 -0.59 1120.0 521.0 1.07 0.3412 0.2791 2121657 NCIStruc1_000105 OC1C[C@@H]2CC[C@H](C1)N2CCCN3c4ccccc4Sc5ccc(Cl)cc35 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F08 compound treatment 220.0 -192.0 -0.53 520.0 -78.7 -0.16 -0.4915 -0.8819 2122547 NCIStruc1_000106 CN1[C@H](C/C(=N/O)/C[C@H]1c2ccccc2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F09 compound treatment 200.0 -212.0 -0.59 740.0 141.0 0.29 -0.2111 -0.3215 2121658 NCIStruc1_000107 C[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F10 compound treatment 200.0 -212.0 -0.59 960.0 361.0 0.74 0.1087 0.1147 1002764 NCIStruc1_000108 NNC(=O)CCc1ccc2ccc3ccccc3c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F11 compound treatment 320.0 -92.3 -0.26 720.0 121.0 0.25 -0.0047 -0.0132 2121659 NCIStruc1_000109 O[C@@H]([C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@@H](O)c3ncc[nH]3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F12 compound treatment 80.0 -332.0 -0.92 640.0 41.3 0.08 -0.5918 -0.6393 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F13 compound treatment 320.0 -92.3 -0.26 460.0 -139.0 -0.29 -0.3826 -0.9986 2121660 NCIStruc1_000111 CCC1=C(C[C@H]2NCCc3ccccc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F14 compound treatment 200.0 -212.0 -0.59 1280.0 681.0 1.4 0.5737 0.3777 1004522 NCIStruc1_000112 COc1cc(NC(=N)NC(=N)N)c2ncccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F15 compound treatment 320.0 -92.3 -0.26 580.0 -18.7 -0.04 -0.2082 -0.8043 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F16 compound treatment 400.0 -12.3 -0.03 460.0 -139.0 -0.29 -0.2256 -0.7859 2121662 NCIStruc1_000114 CC[C@@H]1[C@H](Cc2cncn2C)COC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F17 compound treatment 380.0 -32.3 -0.09 540.0 -58.7 -0.12 -0.1486 -0.9892 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F18 compound treatment 360.0 -52.3 -0.14 520.0 -78.7 -0.16 -0.2169 -0.9985 2121664 NCIStruc1_000116 CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)/C=C/c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F19 compound treatment 160.0 -252.0 -0.7 640.0 41.3 0.08 -0.4348 -0.6168 2121665 NCIStruc1_000117 OC[C@H]1O[C@@H]([C@@H](O)[C@@H]1O)n2cnc3c(=S)[nH]c(=N)[nH]c23 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F20 compound treatment 260.0 -152.0 -0.42 740.0 141.0 0.29 -0.0934 -0.1821 1007045 NCIStruc1_000118 C(c1ccccc1)[N+]2(CN3CN4CN(C3)C2)C4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F21 compound treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 2080649 NCIStruc1_000119 CC(C)(C)c1cc(C#N)cc(Br)c1OP(=O)(Oc2c(Br)cc(C#N)cc2C(C)(C)C)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F22 compound treatment 320.0 -92.3 -0.26 580.0 -18.7 -0.04 -0.2082 -0.8043 2121666 NCIStruc1_000120 Nc1nc(O)nc2n(cnc12)[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F23 mock treatment 320.0 -92.3 -0.26 240.0 -359.0 -0.74 -0.7023 -0.8999 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 F24 mock treatment 120.0 -292.0 -0.81 380.0 -219.0 -0.45 -0.8911 -0.9613 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G01 mock treatment 400.0 -12.3 -0.03 440.0 -159.0 -0.33 -0.2547 -0.7766 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G02 mock treatment 420.0 7.74 0.02 340.0 -259.0 -0.53 -0.3608 -0.678 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G03 compound treatment 640.0 228.0 0.63 1180.0 581.0 1.19 1.2915 0.9557 2121667 NCIStruc1_000121 OC(=O)C/C(=C/C(=O)O)/C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G04 compound treatment 160.0 -252.0 -0.7 580.0 -18.7 -0.04 -0.522 -0.7448 2121668 NCIStruc1_000122 N[C@@H](Cc1cccnn1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G05 compound treatment 200.0 -212.0 -0.59 640.0 41.3 0.08 -0.3564 -0.599 1002456 NCIStruc1_000123 Cn1ncc2c(Cl)ncnc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G06 compound treatment 60.0 -352.0 -0.98 1200.0 601.0 1.24 0.1828 0.116 1028296 NCIStruc1_000124 NCc1ccc(cc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G07 compound treatment 220.0 -192.0 -0.53 1160.0 561.0 1.15 0.4385 0.3451 1015542 NCIStruc1_000125 CSc1nnnc2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G08 compound treatment 160.0 -252.0 -0.7 680.0 81.3 0.17 -0.3767 -0.5236 1050981 NCIStruc1_000126 OC(=O)CC1(CCCCC1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G09 compound treatment 320.0 -92.3 -0.26 580.0 -18.7 -0.04 -0.2082 -0.8043 1027857 NCIStruc1_000127 OP(=O)(O)CCP(=O)(O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G10 compound treatment 180.0 -232.0 -0.64 540.0 -58.7 -0.12 -0.5409 -0.8252 1060056 NCIStruc1_000128 OC(=O)CCCSc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G11 compound treatment 100.0 -312.0 -0.87 400.0 -199.0 -0.41 -0.9013 -0.9411 1027015 NCIStruc1_000129 OC(=O)C(Cc1cccs1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G12 compound treatment 240.0 -172.0 -0.48 640.0 41.3 0.08 -0.2779 -0.5726 2121669 NCIStruc1_000130 NCC(=O)N[C@H](CO)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G13 compound treatment 320.0 -92.3 -0.26 700.0 101.0 0.21 -0.0338 -0.1024 1029013 NCIStruc1_000131 CC(C)CNCCc1ccccn1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G14 compound treatment 200.0 -212.0 -0.59 580.0 -18.7 -0.04 -0.4436 -0.7517 2121670 NCIStruc1_000132 [O-][N+](=O)/C=C/c1cc2ccccc2[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G15 compound treatment 320.0 -92.3 -0.26 520.0 -78.7 -0.16 -0.2954 -0.9755 1035216 NCIStruc1_000133 OC(=O)Cc1cc(Cl)ccc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G16 compound treatment 320.0 -92.3 -0.26 400.0 -199.0 -0.41 -0.4697 -0.9747 1112056 NCIStruc1_000134 OCCSCc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G17 compound treatment 320.0 -92.3 -0.26 420.0 -179.0 -0.37 -0.4407 -0.9844 1040188 NCIStruc1_000135 OCCCNCc1ccccn1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G18 compound treatment 180.0 -232.0 -0.64 540.0 -58.7 -0.12 -0.5409 -0.8252 2121671 NCIStruc1_000136 C[C@H](CC(=O)O)C(C(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G19 compound treatment 40.0 -372.0 -1.03 540.0 -58.7 -0.12 -0.8156 -0.7844 2117341 NCIStruc1_000137 CN(CCO)Cc1ncccc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G20 compound treatment 360.0 -52.3 -0.14 640.0 41.3 0.08 -0.0425 -0.2531 2121672 NCIStruc1_000138 N[C@H](Cc1ccccc1)c2nnn[nH]2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G21 compound treatment 140.0 -272.0 -0.76 480.0 -119.0 -0.24 -0.7066 -0.8902 1048863 NCIStruc1_000139 C(NCc1cccnc1)c2cccnc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G22 compound treatment 140.0 -272.0 -0.76 460.0 -139.0 -0.29 -0.7357 -0.9112 1060197 NCIStruc1_000140 N[C-]1N=C(N)C(=C(N)[N+]1=O)NCO 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G23 mock treatment 160.0 -252.0 -0.7 180.0 -419.0 -0.86 -1.1033 -0.9947 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 G24 mock treatment 140.0 -272.0 -0.76 580.0 -18.7 -0.04 -0.5613 -0.7421 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H01 mock treatment 500.0 87.7 0.24 980.0 381.0 0.78 0.7262 0.885 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H02 mock treatment 560.0 148.0 0.41 640.0 41.3 0.08 0.3498 0.8358 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H03 compound treatment 720.0 308.0 0.85 860.0 261.0 0.54 0.9834 0.975 2121673 NCIStruc1_000141 ClP12(=[S+]c3nc[nH]c4nc[n+]1c34)(Cl)[S+]=C5N=CNc6[nH]c[n+]2c56 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H04 compound treatment 520.0 108.0 0.3 640.0 41.3 0.08 0.2714 0.8733 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H05 compound treatment 220.0 -192.0 -0.53 1520.0 921.0 1.89 0.9617 0.4889 2121675 NCIStruc1_000143 C1CC[N+]2(CC1)Cc3c([OH+][CuH-3]42[ClH][CuH-3]5([OH+]c6ccc7ccccc7c6C[N+]85CCCCC8)[ClH]4)ccc9ccccc39 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H06 compound treatment 160.0 -252.0 -0.7 760.0 161.0 0.33 -0.2605 -0.3364 2081404 NCIStruc1_000144 Ic1ccc2Nc3ccc(Nc4ccc5nc6ccc(I)cc6[n+](c7ccccc7)c5c4)cc3N(c8ccccc8)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H07 compound treatment 180.0 -232.0 -0.64 260.0 -339.0 -0.7 -0.9478 -0.9993 1039603 NCIStruc1_000145 C(CP(c1ccccc1)(c2ccccc2)c3ccccc3)P(c4ccccc4)(c5ccccc5)c6ccccc6 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H08 compound treatment 540.0 128.0 0.35 540.0 -58.7 -0.12 0.1653 0.4415 1101946 NCIStruc1_000146 CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H09 compound treatment 480.0 67.7 0.19 660.0 61.3 0.13 0.222 0.9811 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H10 compound treatment 60.0 -352.0 -0.98 460.0 -139.0 -0.29 -0.8926 -0.8768 2121677 NCIStruc1_000148 OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H11 compound treatment 320.0 -92.3 -0.26 400.0 -199.0 -0.41 -0.4697 -0.9747 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H12 compound treatment 360.0 -52.3 -0.14 260.0 -339.0 -0.7 -0.5947 -0.8364 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H13 compound treatment 320.0 -92.3 -0.26 480.0 -119.0 -0.24 -0.3535 -0.9997 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H14 compound treatment 420.0 7.74 0.02 860.0 261.0 0.54 0.3949 0.7348 1356 NCIStruc1_000152 Oc1cccc2cccnc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H15 compound treatment 160.0 -252.0 -0.7 500.0 -98.7 -0.2 -0.6383 -0.876 2121680 NCIStruc1_000153 CC1=[N+]([O-])C2(Cl)([N+](=C1C)[O-])([N+](=C(C)C(=[N+]2[O-])C)[O-])P(c3ccccc3)(c4ccccc4)c5ccccc5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H16 compound treatment 320.0 -92.3 -0.26 560.0 -38.7 -0.08 -0.2372 -0.8851 1008260 NCIStruc1_000154 Oc1ccc2ccccc2c1Cc3c(O)ccc4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H17 compound treatment 320.0 -92.3 -0.26 580.0 -18.7 -0.04 -0.2082 -0.8043 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H18 compound treatment 240.0 -172.0 -0.48 700.0 101.0 0.21 -0.1907 -0.3659 1009856 NCIStruc1_000156 CCC(C)(C)c1ccc(Oc2cccc(c2)C(=O)O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H19 compound treatment 320.0 -92.3 -0.26 660.0 61.3 0.13 -0.0919 -0.3222 2121682 NCIStruc1_000157 OC(=O)/C=C/C(=O)Nc1ncn[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H20 compound treatment 1300.0 888.0 2.46 560.0 -38.7 -0.08 1.6852 0.6839 1007183 NCIStruc1_000158 CC(C)(C)CC(C)(C)c1ccc(O)c(C[N+](C)(C)[O-])c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H21 compound treatment 260.0 -152.0 -0.42 460.0 -139.0 -0.29 -0.5003 -0.9817 2117832 NCIStruc1_000159 COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6NCCc7cc8Oc1c(Oc8cc67)c32)ccc5OC)cc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H22 compound treatment 320.0 -92.3 -0.26 580.0 -18.7 -0.04 -0.2082 -0.8043 2121683 NCIStruc1_000160 OCCCC(=O)Nc1ccc2ccccc2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H23 mock treatment 140.0 -272.0 -0.76 500.0 -98.7 -0.2 -0.6775 -0.8663 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 H24 mock treatment 160.0 -252.0 -0.7 220.0 -379.0 -0.78 -1.0452 -0.9986 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I01 mock treatment 420.0 7.74 0.02 1460.0 861.0 1.77 1.2668 0.7156 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I02 mock treatment 400.0 -12.3 -0.03 720.0 121.0 0.25 0.1522 0.605 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I03 compound treatment 440.0 27.7 0.08 860.0 261.0 0.54 0.4341 0.8003 1008686 NCIStruc1_000161 OC(=O)c1cncc(c1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I04 compound treatment 560.0 148.0 0.41 960.0 361.0 0.74 0.8149 0.9608 1001884 NCIStruc1_000162 N[C@@H](CCP(=O)(O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I05 compound treatment 380.0 -32.3 -0.09 680.0 81.3 0.17 0.0549 0.2894 1021609 NCIStruc1_000163 Cc1ccc(CCCC(=O)O)cc1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I06 compound treatment 320.0 -92.3 -0.26 480.0 -119.0 -0.24 -0.3535 -0.9997 2121684 NCIStruc1_000164 N[C@H](CO)C(=O)NCC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I07 compound treatment 180.0 -232.0 -0.64 560.0 -38.7 -0.08 -0.5119 -0.7884 2121685 NCIStruc1_000165 C/C(=N\NC(=S)N)/c1ccc[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I08 compound treatment 320.0 -92.3 -0.26 720.0 121.0 0.25 -0.0047 -0.0132 2117431 NCIStruc1_000166 CC(=O)CSCc1ccccn1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I09 compound treatment 200.0 -212.0 -0.59 740.0 141.0 0.29 -0.2111 -0.3215 2121686 NCIStruc1_000167 NCC[C@H](N)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I10 compound treatment 160.0 -252.0 -0.7 840.0 241.0 0.5 -0.1442 -0.1681 1068926 NCIStruc1_000168 CC(C)CNC(=N)NC(=N)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I11 compound treatment 200.0 -212.0 -0.59 860.0 261.0 0.54 -0.0367 -0.046 1025727 NCIStruc1_000169 Oc1ncc(C(=O)CN=[N+]=[N-])c(O)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I12 compound treatment 140.0 -272.0 -0.76 520.0 -78.7 -0.16 -0.6485 -0.8395 2121687 NCIStruc1_000170 NC(=O)NOC[C@@H]1NC(=O)NC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I13 compound treatment 160.0 -252.0 -0.7 880.0 281.0 0.58 -0.0861 -0.0948 1029017 NCIStruc1_000171 C(Cc1ccccn1)Nc2ccccn2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I14 compound treatment 180.0 -232.0 -0.64 640.0 41.3 0.08 -0.3956 -0.6087 2996 NCIStruc1_000172 O[C@@H]([C@H](O)C(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I15 compound treatment 120.0 -292.0 -0.81 540.0 -58.7 -0.12 -0.6586 -0.8035 2121688 NCIStruc1_000173 NNC(=O)[C@@H](O)[C@H](O)C(=O)NN 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I16 compound treatment 220.0 -192.0 -0.53 800.0 201.0 0.41 -0.0846 -0.1254 2121689 NCIStruc1_000174 CS[C@@H](CC(=O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I17 compound treatment 120.0 -292.0 -0.81 980.0 381.0 0.78 -0.0192 -0.017 1034971 NCIStruc1_000175 N=c1[nH]c(cs1)c2cccs2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I18 compound treatment 240.0 -172.0 -0.48 520.0 -78.7 -0.16 -0.4523 -0.8965 2121690 NCIStruc1_000176 N[C@H](CC(=O)N)c1nnn[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I19 compound treatment 100.0 -312.0 -0.87 740.0 141.0 0.29 -0.4072 -0.4457 1049347 NCIStruc1_000177 OC(=O)CCC(=O)c1ccc[nH]1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I20 compound treatment 180.0 -232.0 -0.64 680.0 81.3 0.17 -0.3375 -0.507 2121691 NCIStruc1_000178 COc1ccc(/C=N/NC(=O)O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I21 compound treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 1048557 NCIStruc1_000179 Cc1nnc2ccccc2c1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I22 compound treatment 180.0 -232.0 -0.64 780.0 181.0 0.37 -0.1922 -0.2582 2121692 NCIStruc1_000180 C[C@@H](CSC(=N)N)C(=O)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I23 mock treatment 320.0 -92.3 -0.26 800.0 201.0 0.41 0.1115 0.2293 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 I24 mock treatment 240.0 -172.0 -0.48 500.0 -98.7 -0.2 -0.4814 -0.9272 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J01 mock treatment 360.0 -52.3 -0.14 1700.0 1100.0 2.26 1.4979 0.6605 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J02 mock treatment 460.0 47.7 0.13 1040.0 441.0 0.91 0.7349 0.8019 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J03 compound treatment 580.0 168.0 0.47 740.0 141.0 0.29 0.5344 0.9742 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J04 compound treatment 340.0 -72.3 -0.2 1060.0 461.0 0.95 0.5286 0.5455 1104613 NCIStruc1_000182 Clc1ccc2c(ncnc2c1)N3CCC(CCC4CCN(CC4)c5ncnc6cc(Cl)ccc56)CC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J05 compound treatment 760.0 348.0 0.96 880.0 281.0 0.58 1.0909 0.97 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J06 compound treatment 220.0 -192.0 -0.53 740.0 141.0 0.29 -0.1718 -0.2829 NCIStruc1_000184 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J07 compound treatment 520.0 108.0 0.3 560.0 -38.7 -0.08 0.1551 0.5014 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J08 compound treatment 240.0 -172.0 -0.48 820.0 221.0 0.45 -0.0163 -0.0248 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J09 compound treatment 140.0 -272.0 -0.76 520.0 -78.7 -0.16 -0.6485 -0.8395 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J10 compound treatment 740.0 328.0 0.91 640.0 41.3 0.08 0.7029 0.7698 2121699 NCIStruc1_000188 CC(C)(CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J11 compound treatment 180.0 -232.0 -0.64 480.0 -119.0 -0.24 -0.6281 -0.9117 3065564 NCIStruc1_000189 CC(=C)C(=C)Br.CC1=C(Br)C(=O)C(=C(Br)C1=O)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J12 compound treatment 320.0 -92.3 -0.26 660.0 61.3 0.13 -0.0919 -0.3222 2121701 NCIStruc1_000190 O[C@H]1CO[C@H](OCc2ccccc2)[C@@H](O)[C@@H]1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J13 compound treatment 220.0 -192.0 -0.53 640.0 41.3 0.08 -0.3171 -0.5872 2121702 NCIStruc1_000191 OCc1cc[n+](cc1)[Pt](Cl)(Cl)(Cl)(Cl)[n+]2ccc(CO)cc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J14 compound treatment 360.0 -52.3 -0.14 400.0 -199.0 -0.41 -0.3913 -0.9029 1869 NCIStruc1_000192 c1cnc2c(c1)ccc3cccnc32 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J15 compound treatment 320.0 -92.3 -0.26 680.0 81.3 0.17 -0.0628 -0.2056 2121703 NCIStruc1_000193 OC(=O)c1cc[n+](cc1)[Pt](Cl)(Cl)(Cl)(Cl)[n+]2ccc(cc2)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J16 compound treatment 320.0 -92.3 -0.26 660.0 61.3 0.13 -0.0919 -0.3222 2121704 NCIStruc1_000194 O[C@@H]([C@H]1C[C@@H]2CCN1C[C@H]2C=C)c3ccnc4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J17 compound treatment 180.0 -232.0 -0.64 900.0 301.0 0.62 -0.0178 -0.0199 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J18 compound treatment 160.0 -252.0 -0.7 660.0 61.3 0.13 -0.4058 -0.5707 1009943 NCIStruc1_000196 O=C(Nc1cccc2ccccc12)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J19 compound treatment 380.0 -32.3 -0.09 380.0 -219.0 -0.45 -0.3811 -0.8316 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J20 compound treatment 360.0 -52.3 -0.14 560.0 -38.7 -0.08 -0.1588 -0.9601 1007334 NCIStruc1_000198 CC(C)c1cc(CN2CCCCC2)c(C)cc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J21 compound treatment 160.0 -252.0 -0.7 580.0 -18.7 -0.04 -0.522 -0.7448 2121707 NCIStruc1_000199 OS(=O)(=O)c1ccc2O[Zn-2]3(Oc4ccc(c5ccc[n+]3c45)S(=O)(=O)O)[n+]6cccc1c26 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J22 compound treatment 380.0 -32.3 -0.09 640.0 41.3 0.08 -0.0033 -0.0266 2121708 NCIStruc1_000200 OC(=O)C[C@H](Sc1ccccc1)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J23 mock treatment 400.0 -12.3 -0.03 680.0 81.3 0.17 0.0941 0.5519 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 J24 mock treatment 320.0 -92.3 -0.26 500.0 -98.7 -0.2 -0.3244 -0.9934 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K01 mock treatment 560.0 148.0 0.41 360.0 -239.0 -0.49 -0.0571 -0.0893 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K02 mock treatment 340.0 -72.3 -0.2 900.0 301.0 0.62 0.2961 0.4549 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K03 compound treatment 480.0 67.7 0.19 540.0 -58.7 -0.12 0.0476 0.213 1008264 NCIStruc1_000201 OC(=O)CCSCc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K04 compound treatment 220.0 -192.0 -0.53 760.0 161.0 0.33 -0.1428 -0.2273 1021089 NCIStruc1_000202 OC(=O)CNC(=N)Cc1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K05 compound treatment 80.0 -332.0 -0.92 680.0 81.3 0.17 -0.5336 -0.5697 1021761 NCIStruc1_000203 Sc1nc(S)c2[nH]c(=O)[nH]c2n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K06 compound treatment 340.0 -72.3 -0.2 580.0 -18.7 -0.04 -0.1689 -0.8277 2121709 NCIStruc1_000204 N[C@@H](Cc1ccccc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K07 compound treatment 160.0 -252.0 -0.7 380.0 -219.0 -0.45 -0.8127 -0.9771 1919498 NCIStruc1_000205 N(/N=C/c1cccnc1)c2ccccn2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K08 compound treatment 160.0 -252.0 -0.7 480.0 -119.0 -0.24 -0.6674 -0.9005 2121710 NCIStruc1_000206 Oc1nnc(S)c(O)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K09 compound treatment 260.0 -152.0 -0.42 760.0 161.0 0.33 -0.0643 -0.1197 1028516 NCIStruc1_000207 COC(=O)c1cc(O)nc(O)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K10 compound treatment 160.0 -252.0 -0.7 440.0 -159.0 -0.33 -0.7255 -0.9396 1067644 NCIStruc1_000208 OCCOc1cccc(c1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K11 compound treatment 100.0 -312.0 -0.87 400.0 -199.0 -0.41 -0.9013 -0.9411 1027374 NCIStruc1_000209 OC(=O)c1cc(O)nc(S)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K12 compound treatment 140.0 -272.0 -0.76 520.0 -78.7 -0.16 -0.6485 -0.8395 2080648 NCIStruc1_000210 CC1=C(/C=C/C(=O)O)C(C)(C)CCC1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K13 compound treatment 220.0 -192.0 -0.53 460.0 -139.0 -0.29 -0.5787 -0.9569 2121711 NCIStruc1_000211 CSCC[C@H](N(C)C)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K14 compound treatment 320.0 -92.3 -0.26 560.0 -38.7 -0.08 -0.2372 -0.8851 1075487 NCIStruc1_000212 C(Cc1ccncc1)N2CCCCC2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K15 compound treatment 140.0 -272.0 -0.76 660.0 61.3 0.13 -0.445 -0.5812 3186841 NCIStruc1_000213 CCCN.OC(=O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K16 compound treatment 320.0 -92.3 -0.26 520.0 -78.7 -0.16 -0.2954 -0.9755 1094883 NCIStruc1_000214 C(Cc1nnn[nH]1)c2nnn[nH]2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K17 compound treatment 160.0 -252.0 -0.7 640.0 41.3 0.08 -0.4348 -0.6168 1034844 NCIStruc1_000215 OC(=O)CSSCC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K18 compound treatment 160.0 -252.0 -0.7 680.0 81.3 0.17 -0.3767 -0.5236 1027586 NCIStruc1_000216 OC(=O)Cc1nc[nH]c1C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K19 compound treatment 160.0 -252.0 -0.7 320.0 -279.0 -0.57 -0.8999 -0.9951 1049517 NCIStruc1_000217 OC(=O)CNC(=O)c1ccccc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K20 compound treatment 260.0 -152.0 -0.42 820.0 221.0 0.45 0.0229 0.0369 1002038 NCIStruc1_000218 CC(C)N(CC(=O)O)CC(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K21 compound treatment 340.0 -72.3 -0.2 780.0 181.0 0.37 0.1217 0.2877 1058252 NCIStruc1_000219 Cc1nc(N)nc2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K22 compound treatment 400.0 -12.3 -0.03 480.0 -119.0 -0.24 -0.1966 -0.798 2117592 NCIStruc1_000220 N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K23 mock treatment 340.0 -72.3 -0.2 780.0 181.0 0.37 0.1217 0.2877 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 K24 mock treatment 340.0 -72.3 -0.2 340.0 -259.0 -0.53 -0.5177 -0.9111 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L01 mock treatment 680.0 268.0 0.74 820.0 221.0 0.45 0.8468 0.9723 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L02 mock treatment 640.0 228.0 0.63 840.0 241.0 0.5 0.7974 0.9928 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L03 compound treatment 900.0 488.0 1.35 700.0 101.0 0.21 1.104 0.8064 1044422 NCIStruc1_000221 O=C(Nc1ccc(Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)c5C(=O)c6ccccc6C(=O)c15)c7ccccc7 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L04 compound treatment 400.0 -12.3 -0.03 1060.0 461.0 0.95 0.6463 0.6813 2121712 NCIStruc1_000222 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L05 compound treatment 720.0 308.0 0.85 460.0 -139.0 -0.29 0.4021 0.4468 2121713 NCIStruc1_000223 Nc1[n+](cnc2[nH]cnc12)[Pt](Cl)(Cl)(Cl)(Cl)[n+]3cnc4[nH]cnc4c3N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L06 compound treatment 400.0 -12.3 -0.03 1120.0 521.0 1.07 0.7335 0.6843 2121714 NCIStruc1_000224 OC(=O)c1ccc2C(=O)O[Pt-2]3(N[C@@H]4CCCC[C@H]4N3)OC(=O)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L07 compound treatment 220.0 -192.0 -0.53 820.0 221.0 0.45 -0.0556 -0.0793 3186842 NCIStruc1_000225 CC(C)c1ccc(O)c(=O)cc1.CC(C)c1ccc(O)c(=O)c(O)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L08 compound treatment 420.0 7.74 0.02 640.0 41.3 0.08 0.0752 0.859 2121715 NCIStruc1_000226 OC1=C2Nc3ccc(cc3N=C2O[C@@H]1c4ccc(cc4)[C@@H]5OC6=Nc7cc(ccc7NC6=C5O)[N+](=O)[O-])[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L09 compound treatment 200.0 -212.0 -0.59 680.0 81.3 0.17 -0.2982 -0.4873 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L10 compound treatment 640.0 228.0 0.63 500.0 -98.7 -0.2 0.3033 0.4571 2121717 NCIStruc1_000228 N[C@@H](Cc1n[nH]c2ccccc12)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L11 compound treatment 320.0 -92.3 -0.26 800.0 201.0 0.41 0.1115 0.2293 2121718 NCIStruc1_000229 Oc1ccc2c(Oc3cc(O)ccc3C42OC(=O)c5c4c(c6ccccc6)c(c7ccccc7)c(c8ccccc8)c5c9ccccc9)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L12 compound treatment 260.0 -152.0 -0.42 580.0 -18.7 -0.04 -0.3259 -0.7683 1003732 NCIStruc1_000230 OS(=O)(=O)CCCc1cccc2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L13 compound treatment 160.0 -252.0 -0.7 380.0 -219.0 -0.45 -0.8127 -0.9771 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L14 compound treatment 460.0 47.7 0.13 640.0 41.3 0.08 0.1537 0.9769 2121720 NCIStruc1_000232 CC(C)(C)CO[S+]([O-])OCC(C)(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L15 compound treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 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-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L16 compound treatment 260.0 -152.0 -0.42 380.0 -219.0 -0.45 -0.6165 -0.9995 1008456 NCIStruc1_000234 OC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L17 compound treatment 700.0 288.0 0.8 560.0 -38.7 -0.08 0.5082 0.6335 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L18 compound treatment 420.0 7.74 0.02 640.0 41.3 0.08 0.0752 0.859 1010014 NCIStruc1_000236 NC(=O)Nc1nc(n[nH]1)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L19 compound treatment 320.0 -92.3 -0.26 380.0 -219.0 -0.45 -0.4988 -0.9644 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L20 compound treatment 340.0 -72.3 -0.2 800.0 201.0 0.41 0.1508 0.328 2121724 NCIStruc1_000238 NC(=N)[C@H](N=Nc1ccccc1)C(=O)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L21 compound treatment 400.0 -12.3 -0.03 640.0 41.3 0.08 0.036 0.3933 2080672 NCIStruc1_000239 OC(=O)c1cc(nc2ccc(Cl)cc12)c3ccc(cc3)c4ccc(cc4)c5cc(C(=O)O)c6cc(Cl)ccc6n5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L22 compound treatment 340.0 -72.3 -0.2 780.0 181.0 0.37 0.1217 0.2877 1007339 NCIStruc1_000240 O=C(NNS(=O)(=O)c1ccccc1)c2cccnc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L23 mock treatment 460.0 47.7 0.13 840.0 241.0 0.5 0.4443 0.8656 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 L24 mock treatment 480.0 67.7 0.19 320.0 -279.0 -0.57 -0.2721 -0.4514 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M01 mock treatment 680.0 268.0 0.74 780.0 181.0 0.37 0.7887 0.9491 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M02 mock treatment 800.0 388.0 1.08 1300.0 701.0 1.44 1.7797 0.9896 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M03 compound treatment 220.0 -192.0 -0.53 520.0 -78.7 -0.16 -0.4915 -0.8819 1005790 NCIStruc1_000241 CC(C)(C)c1cc(O)ccc1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M04 compound treatment 560.0 148.0 0.41 360.0 -239.0 -0.49 -0.0571 -0.0893 1033050 NCIStruc1_000242 Cc1cc2c(O)nc(N)nc2nc1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M05 compound treatment 480.0 67.7 0.19 460.0 -139.0 -0.29 -0.0687 -0.2012 2121725 NCIStruc1_000243 C[C@@H](CNC(=O)N)NC(=O)N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M06 compound treatment 540.0 128.0 0.35 460.0 -139.0 -0.29 0.049 0.1078 2121726 NCIStruc1_000244 N[C@@H](Cc1nnn[nH]1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M07 compound treatment 260.0 -152.0 -0.42 680.0 81.3 0.17 -0.1805 -0.3975 1016486 NCIStruc1_000245 CCC(=O)OCN1C(=O)C=CC1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M08 compound treatment 560.0 148.0 0.41 380.0 -219.0 -0.45 -0.028 -0.0461 1056220 NCIStruc1_000246 CC(C)C(O)(C(C)C)C(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M09 compound treatment 480.0 67.7 0.19 580.0 -18.7 -0.04 0.1057 0.551 1022163 NCIStruc1_000247 CN(C)CCNc1ccccn1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M10 compound treatment 440.0 27.7 0.08 480.0 -119.0 -0.24 -0.1181 -0.4616 2126 NCIStruc1_000248 N[C@@H](CP(=O)(O)O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M11 compound treatment 680.0 268.0 0.74 760.0 161.0 0.33 0.7596 0.9339 1028569 NCIStruc1_000249 Cc1ncn(c1C)c2ccccc2O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M12 compound treatment 100.0 -312.0 -0.87 540.0 -58.7 -0.12 -0.6979 -0.7979 2121727 NCIStruc1_000250 C(Nc1ncn[nH]1)c2cccnc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M13 compound treatment 180.0 -232.0 -0.64 640.0 41.3 0.08 -0.3956 -0.6087 2121728 NCIStruc1_000251 CC(=NNc1ncnc2[nH]cnc12)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M14 compound treatment 240.0 -172.0 -0.48 400.0 -199.0 -0.41 -0.6267 -0.9969 2081011 NCIStruc1_000252 CN(C)Cc1nsc(n1)N(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M15 compound treatment 460.0 47.7 0.13 380.0 -219.0 -0.45 -0.2242 -0.4784 1038019 NCIStruc1_000253 CN1CCN(CCCN)CC1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M16 compound treatment 320.0 -92.3 -0.26 460.0 -139.0 -0.29 -0.3826 -0.9986 2080829 NCIStruc1_000254 OCC1(CO)N2CCC(CC2)C1=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M17 compound treatment 340.0 -72.3 -0.2 720.0 121.0 0.25 0.0345 0.1079 1044282 NCIStruc1_000255 Clc1ccc(NC(=N)NC#N)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M18 compound treatment 260.0 -152.0 -0.42 520.0 -78.7 -0.16 -0.4131 -0.9132 1101608 NCIStruc1_000256 NC1(CCCCC1)P(=O)(O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M19 compound treatment 340.0 -72.3 -0.2 720.0 121.0 0.25 0.0345 0.1079 1044969 NCIStruc1_000257 Oc1cccnc1CN2CCCCC2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M20 compound treatment 640.0 228.0 0.63 380.0 -219.0 -0.45 0.1289 0.1663 2080294 NCIStruc1_000258 OCCCN=C1CCCCC1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M21 compound treatment 640.0 228.0 0.63 440.0 -159.0 -0.33 0.2161 0.3039 1057474 NCIStruc1_000259 CN(C)CCSS(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M22 compound treatment 820.0 408.0 1.13 1180.0 581.0 1.19 1.6446 0.9996 1070281 NCIStruc1_000260 Nc1nc(O)c2[nH]cnc2[n+]1[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M23 mock treatment 380.0 -32.3 -0.09 540.0 -58.7 -0.12 -0.1486 -0.9892 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 M24 mock treatment 480.0 67.7 0.19 880.0 281.0 0.58 0.5417 0.8911 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N01 mock treatment 500.0 87.7 0.24 1020.0 421.0 0.87 0.7843 0.8721 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N02 mock treatment 240.0 -172.0 -0.48 780.0 181.0 0.37 -0.0745 -0.1229 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N03 compound treatment 640.0 228.0 0.63 640.0 41.3 0.08 0.5068 0.7949 2117289 NCIStruc1_000261 Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c4cc5ccccc5c6ccccc46)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N04 compound treatment 960.0 548.0 1.52 500.0 -98.7 -0.2 0.931 0.6073 1012687 NCIStruc1_000262 Cc1cc(O)nc(NC(=N)Nc2ccc(Cl)cc2)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N05 compound treatment 800.0 388.0 1.08 840.0 241.0 0.5 1.1113 0.9382 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-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N06 compound treatment 540.0 128.0 0.35 640.0 41.3 0.08 0.3106 0.8523 2121730 NCIStruc1_000264 C[C@@H](O)[C@H](O)C(=O)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N07 compound treatment 780.0 368.0 1.02 720.0 121.0 0.25 0.8976 0.8547 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N08 compound treatment 740.0 328.0 0.91 460.0 -139.0 -0.29 0.4413 0.4632 2081323 NCIStruc1_000266 CC(C)(C)c1ccc(cc1)c2nnc(SCc3ccc(Cl)cc3)n2c4cccc(c4)C(F)(F)F 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N09 compound treatment 440.0 27.7 0.08 740.0 141.0 0.29 0.2597 0.8647 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N10 compound treatment 420.0 7.74 0.02 480.0 -119.0 -0.24 -0.1573 -0.6424 2121732 NCIStruc1_000268 CC(C)(N)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N11 compound treatment 540.0 128.0 0.35 760.0 161.0 0.33 0.485 0.9994 2080226 NCIStruc1_000269 OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C2c3ccc(O)cc3Oc4cc(O)ccc24 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N12 compound treatment 320.0 -92.3 -0.26 540.0 -58.7 -0.12 -0.2663 -0.9411 1003801 NCIStruc1_000270 Cc1cc(O)c(cc1O)c2cc(O)c(C)cc2O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N13 compound treatment 400.0 -12.3 -0.03 480.0 -119.0 -0.24 -0.1966 -0.798 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N14 compound treatment 360.0 -52.3 -0.14 480.0 -119.0 -0.24 -0.275 -0.9691 2121734 NCIStruc1_000272 OC(=O)c1nc([nH]c1C=O)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N15 compound treatment 320.0 -92.3 -0.26 420.0 -179.0 -0.37 -0.4407 -0.9844 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N16 compound treatment 260.0 -152.0 -0.42 820.0 221.0 0.45 0.0229 0.0369 1008467 NCIStruc1_000274 OC(=O)C(Cc1ccccc1)Cc2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N17 compound treatment 420.0 7.74 0.02 380.0 -219.0 -0.45 -0.3026 -0.6726 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N18 compound treatment 320.0 -92.3 -0.26 640.0 41.3 0.08 -0.121 -0.4486 1010676 NCIStruc1_000276 O[As](=O)(O)Cc1ccc(cc1)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N19 compound treatment 460.0 47.7 0.13 680.0 81.3 0.17 0.2118 0.9934 1058828 NCIStruc1_000277 Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc32)c4cc(C)c(O)c(c4)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N20 compound treatment 560.0 148.0 0.41 500.0 -98.7 -0.2 0.1464 0.3201 2121737 NCIStruc1_000278 CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N21 compound treatment 640.0 228.0 0.63 420.0 -179.0 -0.37 0.187 0.256 1036434 NCIStruc1_000279 ClCC[N+]1(CC[N+]2(CCCl)CC1)C2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N22 compound treatment 560.0 148.0 0.41 560.0 -38.7 -0.08 0.2336 0.5594 2121738 NCIStruc1_000280 OC[C@@H](O)CNc1ncnc2ccccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N23 mock treatment 740.0 328.0 0.91 700.0 101.0 0.21 0.7901 0.8471 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 N24 mock treatment 1000.0 588.0 1.63 1040.0 441.0 0.91 1.7942 0.9617 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O01 mock treatment 660.0 248.0 0.69 1100.0 501.0 1.03 1.2145 0.9806 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O02 mock treatment 700.0 288.0 0.8 1060.0 461.0 0.95 1.2348 0.9963 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O03 compound treatment 640.0 228.0 0.63 680.0 81.3 0.17 0.5649 0.8644 2081471 NCIStruc1_000281 CCCNc1ncnc2[nH]ncc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O04 compound treatment 580.0 168.0 0.47 960.0 361.0 0.74 0.8541 0.9747 2121739 NCIStruc1_000282 N[C@@H](Cc1ccnnc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O05 compound treatment 460.0 47.7 0.13 1120.0 521.0 1.07 0.8512 0.7885 1012715 NCIStruc1_000283 Oc1ccc(nn1)c2ccccc2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O06 compound treatment 520.0 108.0 0.3 580.0 -18.7 -0.04 0.1842 0.6111 2121740 NCIStruc1_000284 N[C@@H](CNC(=N)N)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O07 compound treatment 520.0 108.0 0.3 680.0 81.3 0.17 0.3295 0.9622 1020603 NCIStruc1_000285 CC(C)CN(CC#N)CC(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O08 compound treatment 460.0 47.7 0.13 1100.0 501.0 1.03 0.8221 0.7915 2121741 NCIStruc1_000286 O/N=C(/Cc1c[nH]nn1)\C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O09 compound treatment 220.0 -192.0 -0.53 380.0 -219.0 -0.45 -0.695 -0.9964 1023693 NCIStruc1_000287 OCCNC(=O)c1ccc(Cl)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O10 compound treatment 320.0 -92.3 -0.26 800.0 201.0 0.41 0.1115 0.2293 2121742 NCIStruc1_000288 C/C(=N\O)/[C@@H]1C[C@H](CC(=O)O)C1(C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O11 compound treatment 240.0 -172.0 -0.48 580.0 -18.7 -0.04 -0.3651 -0.7615 1028999 NCIStruc1_000289 CN(C)CCCc1cccnc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O12 compound treatment 420.0 7.74 0.02 680.0 81.3 0.17 0.1333 0.7915 2121743 NCIStruc1_000290 C(CN1CCCCC1)[C@@H]2CCCCN2 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O13 compound treatment 500.0 87.7 0.24 700.0 101.0 0.21 0.3193 0.997 1031733 NCIStruc1_000291 OC(=O)C1CC2(C1)CC(C2)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O14 compound treatment 320.0 -92.3 -0.26 500.0 -98.7 -0.2 -0.3244 -0.9934 2121744 NCIStruc1_000292 OC(=O)[C@H](Cc1c[nH]cn1)NC=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O15 compound treatment 440.0 27.7 0.08 1000.0 401.0 0.82 0.6376 0.7697 2081525 NCIStruc1_000293 CC(=C)CN(CC#N)CC(=C)C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O16 compound treatment 580.0 168.0 0.47 520.0 -78.7 -0.16 0.2147 0.4357 2121745 NCIStruc1_000294 C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O17 compound treatment 180.0 -232.0 -0.64 700.0 101.0 0.21 -0.3084 -0.4555 2121746 NCIStruc1_000295 O[C@H](C(=O)O)c1ccc(F)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O18 compound treatment 400.0 -12.3 -0.03 580.0 -18.7 -0.04 -0.0512 -0.9981 2121747 NCIStruc1_000296 CC(C)[C@](N)(C(=O)O)c1ccccc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O19 compound treatment 680.0 268.0 0.74 1000.0 401.0 0.82 1.1084 0.9986 1044291 NCIStruc1_000297 NCCNCC1CCNCC1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O20 compound treatment 560.0 148.0 0.41 640.0 41.3 0.08 0.3498 0.8358 1052973 NCIStruc1_000298 Nc1nc(N)nc(CC(=O)O)n1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O21 compound treatment 580.0 168.0 0.47 640.0 41.3 0.08 0.3891 0.8225 2121748 NCIStruc1_000299 C[C@@H](SCc1ccccc1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O22 compound treatment 640.0 228.0 0.63 960.0 361.0 0.74 0.9718 0.9968 2121749 NCIStruc1_000300 N[C@@H](CS(=O)CC(=O)N)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O23 mock treatment 580.0 168.0 0.47 660.0 61.3 0.13 0.4181 0.8673 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 O24 mock treatment 540.0 128.0 0.35 360.0 -239.0 -0.49 -0.0963 -0.1591 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P01 mock treatment 540.0 128.0 0.35 960.0 361.0 0.74 0.7756 0.9427 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P02 mock treatment 380.0 -32.3 -0.09 580.0 -18.7 -0.04 -0.0905 -0.9288 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P03 compound treatment 760.0 348.0 0.96 1020.0 421.0 0.87 1.2944 0.9985 2121750 NCIStruc1_000301 Brc1ccc2[C@@H]([C@@H]3c4ccccc4C(=O)c5cc(Br)ccc35)c6ccccc6C(=O)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P04 compound treatment 560.0 148.0 0.41 640.0 41.3 0.08 0.3498 0.8358 2121751 NCIStruc1_000302 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P05 compound treatment 480.0 67.7 0.19 1000.0 401.0 0.82 0.716 0.8465 2121752 NCIStruc1_000303 OC[C@H]1O[C@H]([C@H]2O[Sn](O[C@@H]12)(c3ccccc3)c4ccccc4)n5ccc(=N)[nH]c5=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P06 compound treatment 780.0 368.0 1.02 640.0 41.3 0.08 0.7814 0.7633 2121753 NCIStruc1_000304 ONC(=O)[C@H](Cc1c[nH]c2ccccc12)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P07 compound treatment 480.0 67.7 0.19 660.0 61.3 0.13 0.222 0.9811 2117348 NCIStruc1_000305 Nc1ccccc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P08 compound treatment 680.0 268.0 0.74 500.0 -98.7 -0.2 0.3818 0.4958 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P09 compound treatment 500.0 87.7 0.24 840.0 241.0 0.5 0.5228 0.9463 3186939 NCIStruc1_000307 CCCS.Cc1ccc(cc1)S(=O)(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P10 compound treatment 260.0 -152.0 -0.42 660.0 61.3 0.13 -0.2096 -0.4755 2121755 NCIStruc1_000308 O=C1NC(=O)[C@](Cc2ccccc2)(N1)c3cccnc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P11 compound treatment 400.0 -12.3 -0.03 540.0 -58.7 -0.12 -0.1094 -0.8724 2080269 NCIStruc1_000309 Oc1ccc(cc1c2ccccc2)C3(OC(=O)c4c3c(Cl)c(Cl)c(Cl)c4Cl)c5ccc(O)c(c5)c6ccccc6 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P12 compound treatment 460.0 47.7 0.13 360.0 -239.0 -0.49 -0.2532 -0.4984 2121756 NCIStruc1_000310 C[C@@H]1CCCC(CC(=O)O)(CC(=O)O)C1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P13 compound treatment 320.0 -92.3 -0.26 800.0 201.0 0.41 0.1115 0.2293 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P14 compound treatment 500.0 87.7 0.24 380.0 -219.0 -0.45 -0.1457 -0.2851 1005947 NCIStruc1_000312 OC(=O)CCC(=O)c1ccc(Cl)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P15 compound treatment 260.0 -152.0 -0.42 460.0 -139.0 -0.29 -0.5003 -0.9817 2121758 NCIStruc1_000313 Nc1ncnc2nc([nH]c12)c3ccc(CP(c4ccccc4)(c5ccccc5)c6ccccc6)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P16 compound treatment 180.0 -232.0 -0.64 460.0 -139.0 -0.29 -0.6572 -0.9327 1008473 NCIStruc1_000314 Cc1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P17 compound treatment 440.0 27.7 0.08 700.0 101.0 0.21 0.2016 0.9084 3186943 NCIStruc1_000315 CC[C@@H](O)N1CCN(CC1)[C@H](O)CC.Cl[Pt](Cl)(Cl)(Cl)(Cl)Cl 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P18 compound treatment 220.0 -192.0 -0.53 320.0 -279.0 -0.57 -0.7822 -0.9994 2121760 NCIStruc1_000316 C[C@@](N)(Cc1c[nH]c2ccccc12)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P19 compound treatment 540.0 128.0 0.35 380.0 -219.0 -0.45 -0.0672 -0.1175 1059904 NCIStruc1_000317 O=C1N(C(=O)c2ccccc12)c3ccc4C(=O)c5ccccc5C(=O)c4c3c6c(ccc7C(=O)c8ccccc8C(=O)c67)N9C(=O)c%10ccccc%10C9=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P20 compound treatment 460.0 47.7 0.13 660.0 61.3 0.13 0.1827 0.9997 2080187 NCIStruc1_000318 CC(C)CCNc1ncnc2[nH]ncc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P21 compound treatment 760.0 348.0 0.96 640.0 41.3 0.08 0.7422 0.7663 2121761 NCIStruc1_000319 Cc1ccc(NC2=[O+][Ni-2]3(Oc4cc5ccccc5cc24)Oc6cc7ccccc7cc6C(=[O+]3)Nc8ccc(C)cc8C)c(C)c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P22 compound treatment 720.0 308.0 0.85 700.0 101.0 0.21 0.7509 0.8545 1012581 NCIStruc1_000320 CCCCNc1c(CN)cnc2cc(Cl)ccc12 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P23 mock treatment 540.0 128.0 0.35 420.0 -179.0 -0.37 -0.0091 -0.0179 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1259 P24 mock treatment 1320.0 908.0 2.52 420.0 -179.0 -0.37 1.521 0.5977 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A01 compound treatment 340.0 -255.0 -0.71 500.0 2.11 0.0 -0.4966 -0.7028 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A02 compound treatment 200.0 -395.0 -1.1 680.0 182.0 0.37 -0.5097 -0.4404 2021064 DHPC1.1_006506 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3ccccc3)c4coc5ccccc5c4=O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A03 compound treatment 200.0 -395.0 -1.1 660.0 162.0 0.33 -0.5388 -0.4707 DHPC1.1_006507 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A04 compound treatment 460.0 -135.0 -0.37 580.0 82.1 0.17 -0.145 -0.3535 DHPC1.1_006508 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A05 compound treatment 720.0 125.0 0.35 960.0 462.0 0.95 0.9173 0.907 DHPC1.1_006509 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A06 compound treatment 180.0 -415.0 -1.15 860.0 362.0 0.74 -0.2874 -0.2097 2022522 DHPC1.1_006510 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCc5ccccc5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A07 compound treatment 400.0 -195.0 -0.54 720.0 222.0 0.46 -0.0592 -0.0838 DHPC1.1_006511 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A08 compound treatment 160.0 -435.0 -1.21 1140.0 642.0 1.32 0.0803 0.0449 2022577 DHPC1.1_006512 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccc3OCOc3c2)C(=O)N4CCOCC4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A09 compound treatment 380.0 -215.0 -0.6 740.0 242.0 0.5 -0.0694 -0.0894 2019660 DHPC1.1_006513 OCCOCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2)c3coc4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A10 compound treatment 260.0 -335.0 -0.93 1180.0 682.0 1.4 0.3346 0.199 DHPC1.1_006514 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A11 compound treatment 260.0 -335.0 -0.93 960.0 462.0 0.95 0.0149 0.0112 DHPC1.1_006515 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A12 compound treatment 220.0 -375.0 -1.04 660.0 162.0 0.33 -0.4995 -0.4576 2022604 DHPC1.1_006516 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccsc2)C(=O)N3CCOCC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A13 compound treatment 220.0 -375.0 -1.04 960.0 462.0 0.95 -0.0636 -0.0451 DHPC1.1_006517 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A14 compound treatment 200.0 -395.0 -1.1 480.0 -17.9 -0.04 -0.8003 -0.7304 2021604 DHPC1.1_006518 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)NCc4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A15 compound treatment 120.0 -475.0 -1.32 380.0 -118.0 -0.24 -1.1026 -0.8234 DHPC1.1_006519 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A16 compound treatment 320.0 -275.0 -0.76 200.0 -298.0 -0.61 -0.9718 -0.9941 DHPC1.1_006520 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A17 compound treatment 320.0 -275.0 -0.76 340.0 -158.0 -0.32 -0.7684 -0.9276 2020011 DHPC1.1_006521 Cc1c([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCc4ccccc4)c(=O)n(c5ccccc5)n1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A18 compound treatment 140.0 -455.0 -1.26 220.0 -278.0 -0.57 -1.2959 -0.9358 2020821 DHPC1.1_006522 Cc1c([C@H]2C[C@@H](OCCOCCO)OC(=C2)C(=O)NCc3ccccc3)c(=O)n(c4ccccc4)n1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A19 compound treatment 200.0 -395.0 -1.1 260.0 -238.0 -0.49 -1.12 -0.9339 2019580 DHPC1.1_006523 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)N3CCOCC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A20 compound treatment 160.0 -435.0 -1.21 320.0 -178.0 -0.37 -1.1113 -0.8818 DHPC1.1_006524 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A21 compound treatment 260.0 -335.0 -0.93 220.0 -278.0 -0.57 -1.0605 -0.9727 2022414 DHPC1.1_006525 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCOCCOCCO)c2coc3ccccc3c2=O)C(=O)NCc4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A22 compound treatment 140.0 -455.0 -1.26 220.0 -278.0 -0.57 -1.2959 -0.9358 DHPC1.1_006526 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A23 compound treatment 200.0 -395.0 -1.1 160.0 -338.0 -0.69 -1.2654 -0.9758 DHPC1.1_006527 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 A24 compound treatment 320.0 -275.0 -0.76 180.0 -318.0 -0.65 -1.0009 -0.9971 DHPC1.1_006528 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B01 compound treatment 260.0 -335.0 -0.93 480.0 -17.9 -0.04 -0.6826 -0.7345 DHPC1.1_006529 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B02 compound treatment 200.0 -395.0 -1.1 880.0 382.0 0.79 -0.2191 -0.1626 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B03 compound treatment 220.0 -375.0 -1.04 960.0 462.0 0.95 -0.0636 -0.0451 DHPC1.1_006531 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B04 compound treatment 320.0 -275.0 -0.76 720.0 222.0 0.46 -0.2162 -0.2433 2020797 DHPC1.1_006532 CN(C1CCCCC1)C(=O)C2=C[C@H](C[C@@H](OCCOCCO)O2)c3coc4ccccc4c3=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B05 compound treatment 380.0 -215.0 -0.6 820.0 322.0 0.66 0.0468 0.0526 2022038 DHPC1.1_006533 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccc3OCOc3c2)C(=O)N(C)CC(OC)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B06 compound treatment 320.0 -275.0 -0.76 1080.0 582.0 1.2 0.307 0.2164 2020796 DHPC1.1_006534 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCCOCCO)O1)c2coc3ccccc3c2=O)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B07 compound treatment 340.0 -255.0 -0.71 840.0 342.0 0.7 -0.0026 -0.0026 2023416 DHPC1.1_006535 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2ccsc2)C(=O)N(C)C3CCCCC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B08 compound treatment 160.0 -435.0 -1.21 880.0 382.0 0.79 -0.2975 -0.2067 2022903 DHPC1.1_006536 CCO[C@H]1OC(=C[C@H]([C@@H]1CCOCCOCCO)c2coc3ccccc23)C(=O)N(C)C4CCCCC4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B09 compound treatment 380.0 -215.0 -0.6 720.0 222.0 0.46 -0.0985 -0.1312 2019446 DHPC1.1_006537 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B10 compound treatment 220.0 -375.0 -1.04 800.0 302.0 0.62 -0.2961 -0.2445 2020796 DHPC1.1_006538 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCCOCCO)O1)c2coc3ccccc3c2=O)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B11 compound treatment 380.0 -215.0 -0.6 820.0 322.0 0.66 0.0468 0.0526 DHPC1.1_006539 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B12 compound treatment 320.0 -275.0 -0.76 1000.0 502.0 1.03 0.1907 0.1487 2020851 DHPC1.1_006540 CC(C)[C@H]1C[C@@H](OCc2ccc(CO)cc2)OC(=C1)C(=O)N(C)C3CCCCC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B13 compound treatment 220.0 -375.0 -1.04 660.0 162.0 0.33 -0.4995 -0.4576 2019446 DHPC1.1_006541 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B14 compound treatment 260.0 -335.0 -0.93 140.0 -358.0 -0.74 -1.1767 -0.9933 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B15 compound treatment 640.0 45.3 0.13 320.0 -178.0 -0.37 -0.1697 -0.4391 DHPC1.1_006543 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B16 compound treatment 160.0 -435.0 -1.21 320.0 -178.0 -0.37 -1.1113 -0.8818 DHPC1.1_006544 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B17 compound treatment 120.0 -475.0 -1.32 420.0 -77.9 -0.16 -1.0445 -0.7873 DHPC1.1_006545 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B18 compound treatment 220.0 -375.0 -1.04 320.0 -178.0 -0.37 -0.9936 -0.9016 DHPC1.1_006546 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B19 compound treatment 340.0 -255.0 -0.71 160.0 -338.0 -0.69 -0.9907 -1.0 DHPC1.1_006547 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B20 compound treatment 320.0 -275.0 -0.76 400.0 -97.9 -0.2 -0.6812 -0.8642 2022687 DHPC1.1_006548 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2coc3ccccc3c2=O)C(=O)N(C)C4CCCCC4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B21 compound treatment 440.0 -155.0 -0.43 140.0 -358.0 -0.74 -0.8236 -0.9671 2019635 DHPC1.1_006549 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCOCCO)O1)c2ccsc2)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B22 compound treatment 120.0 -475.0 -1.32 120.0 -378.0 -0.78 -1.4804 -0.9683 2020850 DHPC1.1_006550 COC(CN(C)C(=O)C1=C[C@H](C[C@@H](OCc2ccc(CO)cc2)O1)C(C)C)OC 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B23 compound treatment 320.0 -275.0 -0.76 120.0 -378.0 -0.78 -1.0881 -1.0 DHPC1.1_006551 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 B24 compound treatment 240.0 -355.0 -0.98 180.0 -318.0 -0.65 -1.1578 -0.9802 DHPC1.1_006552 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C01 compound treatment 400.0 -195.0 -0.54 400.0 -97.9 -0.2 -0.5243 -0.9094 2019853 DHPC1.1_006553 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCC(CC4)N5CCCCC5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C02 compound treatment 200.0 -395.0 -1.1 900.0 402.0 0.83 -0.19 -0.1385 2021068 DHPC1.1_006554 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N3CCC(CC3)N4CCCCC4)c5coc6ccccc6c5=O)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C03 compound treatment 140.0 -455.0 -1.26 900.0 402.0 0.83 -0.3077 -0.204 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C04 compound treatment 320.0 -275.0 -0.76 800.0 302.0 0.62 -0.0999 -0.1016 2021555 DHPC1.1_006556 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc23)C(=O)NC4CC5CCC4C5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C05 compound treatment 400.0 -195.0 -0.54 720.0 222.0 0.46 -0.0592 -0.0838 2019934 DHPC1.1_006557 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCC(CC3)N4CCCCC4)c5coc6ccccc56)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C06 compound treatment 260.0 -335.0 -0.93 780.0 282.0 0.58 -0.2467 -0.2253 DHPC1.1_006558 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C07 compound treatment 260.0 -335.0 -0.93 680.0 182.0 0.37 -0.392 -0.3915 2020070 DHPC1.1_006559 COc1ccc(cc1)S(=O)(=O)N(CCO)CCO[C@H]2C[C@H](C=C(O2)C(=O)NC3CC4CCC3C4)c5ccccc5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C08 compound treatment 500.0 -94.7 -0.26 960.0 462.0 0.95 0.4857 0.4929 2020502 DHPC1.1_006560 CC(=O)n1cc([C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NC3CC4CCC3C4)c5ccccc15 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C09 compound treatment 260.0 -335.0 -0.93 880.0 382.0 0.79 -0.1014 -0.0833 2019556 DHPC1.1_006561 OCCOCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)c4cccc-5c4Cc6ccccc65 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C10 compound treatment 320.0 -275.0 -0.76 860.0 362.0 0.74 -0.0127 -0.0119 2021851 DHPC1.1_006562 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)N4CCC(CC4)N5CCCCC5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C11 compound treatment 340.0 -255.0 -0.71 1480.0 982.0 2.02 0.9275 0.4337 2023472 DHPC1.1_006563 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)NC4CC5CCC4C5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C12 compound treatment 320.0 -275.0 -0.76 980.0 482.0 0.99 0.1617 0.1293 2021447 DHPC1.1_006564 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NC5CC6CCC5C6 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C13 compound treatment 500.0 -94.7 -0.26 640.0 142.0 0.29 0.0207 0.0526 DHPC1.1_006565 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C14 compound treatment 320.0 -275.0 -0.76 380.0 -118.0 -0.24 -0.7103 -0.8881 DHPC1.1_006566 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C15 compound treatment 140.0 -455.0 -1.26 320.0 -178.0 -0.37 -1.1506 -0.876 DHPC1.1_006567 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C16 compound treatment 120.0 -475.0 -1.32 220.0 -278.0 -0.57 -1.3351 -0.9301 2021609 DHPC1.1_006568 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)NC4CC5CCC4C5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C17 compound treatment 180.0 -415.0 -1.15 180.0 -318.0 -0.65 -1.2755 -0.964 2023201 DHPC1.1_006569 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2cn(C(=O)C)c3ccccc23)C(=O)N4CCC(CC4)N5CCCCC5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C18 compound treatment 360.0 -235.0 -0.65 140.0 -358.0 -0.74 -0.9806 -0.9982 DHPC1.1_006570 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C19 compound treatment 340.0 -255.0 -0.71 480.0 -17.9 -0.04 -0.5257 -0.7429 2023472 DHPC1.1_006571 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cn(C(=O)C)c3ccccc23)C(=O)NC4CC5CCC4C5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C20 compound treatment 120.0 -475.0 -1.32 340.0 -158.0 -0.32 -1.1607 -0.8557 2020556 DHPC1.1_006572 Cc1c([C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NC3CC4CCC3C4)c(=O)n(c5ccccc5)n1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C21 compound treatment 160.0 -435.0 -1.21 180.0 -318.0 -0.65 -1.3148 -0.9585 DHPC1.1_006573 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C22 compound treatment 240.0 -355.0 -0.98 100.0 -398.0 -0.82 -1.2741 -0.9958 2020690 DHPC1.1_006574 OCCOCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)c4ccc5OCOc5c4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C23 compound treatment 160.0 -435.0 -1.21 100.0 -398.0 -0.82 -1.431 -0.9821 DHPC1.1_006575 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 C24 compound treatment 180.0 -415.0 -1.15 240.0 -258.0 -0.53 -1.1883 -0.9381 DHPC1.1_006576 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D01 compound treatment 440.0 -155.0 -0.43 840.0 342.0 0.7 0.1936 0.235 2019612 DHPC1.1_006577 COc1ccc2[nH]cc(CCNC(=O)C3=C[C@@H](C[C@H](OCCOCCO)O3)c4ccc5OCOc5c4)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D02 compound treatment 320.0 -275.0 -0.76 680.0 182.0 0.37 -0.2743 -0.323 2020638 DHPC1.1_006578 COc1ccc2[nH]cc(CCNC(=O)C3=C[C@H](C[C@@H](OCCOCCO)O3)c4cccc-5c4Cc6ccccc65)c2c1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D03 compound treatment 220.0 -375.0 -1.04 760.0 262.0 0.54 -0.3542 -0.3025 DHPC1.1_006579 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D04 compound treatment 400.0 -195.0 -0.54 860.0 362.0 0.74 0.1442 0.1568 2020585 DHPC1.1_006580 CC(C)[C@H]1C[C@@H](OCCOCCO)OC(=C1)C(=O)NCCCN2CCCC2=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D05 compound treatment 240.0 -355.0 -0.98 1060.0 562.0 1.16 0.121 0.0797 DHPC1.1_006581 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D06 compound treatment 240.0 -355.0 -0.98 960.0 462.0 0.95 -0.0243 -0.0178 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D07 compound treatment 380.0 -215.0 -0.6 660.0 162.0 0.33 -0.1857 -0.272 DHPC1.1_006583 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D08 compound treatment 320.0 -275.0 -0.76 1340.0 842.0 1.73 0.6848 0.3621 DHPC1.1_006584 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D09 compound treatment 320.0 -275.0 -0.76 700.0 202.0 0.42 -0.2452 -0.2825 DHPC1.1_006585 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D10 compound treatment 380.0 -215.0 -0.6 1040.0 542.0 1.11 0.3666 0.2901 DHPC1.1_006586 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D11 compound treatment 220.0 -375.0 -1.04 1100.0 602.0 1.24 0.1399 0.0866 2021935 DHPC1.1_006587 CCO[C@@H]1OC(=C[C@H](C(C)C)[C@H]1CCCO)C(=O)NCCCN2CCCC2=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D12 compound treatment 180.0 -415.0 -1.15 700.0 202.0 0.42 -0.5199 -0.425 DHPC1.1_006588 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D13 compound treatment 220.0 -375.0 -1.04 1140.0 642.0 1.32 0.198 0.1179 DHPC1.1_006589 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D14 compound treatment 220.0 -375.0 -1.04 180.0 -318.0 -0.65 -1.1971 -0.9749 DHPC1.1_006590 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D15 compound treatment 160.0 -435.0 -1.21 140.0 -358.0 -0.74 -1.3729 -0.9719 DHPC1.1_006591 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D16 compound treatment 220.0 -375.0 -1.04 220.0 -278.0 -0.57 -1.1389 -0.9602 DHPC1.1_006592 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D17 compound treatment 240.0 -355.0 -0.98 440.0 -57.9 -0.12 -0.78 -0.7869 DHPC1.1_006593 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D18 compound treatment 200.0 -395.0 -1.1 320.0 -178.0 -0.37 -1.0329 -0.8946 DHPC1.1_006594 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D19 compound treatment 120.0 -475.0 -1.32 120.0 -378.0 -0.78 -1.4804 -0.9683 2019424 DHPC1.1_006595 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCCCN3CCCC3=O)c4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D20 compound treatment 200.0 -395.0 -1.1 320.0 -178.0 -0.37 -1.0329 -0.8946 DHPC1.1_006596 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D21 compound treatment 320.0 -275.0 -0.76 160.0 -338.0 -0.69 -1.03 -0.9989 DHPC1.1_006597 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D22 compound treatment 80.0 -515.0 -1.43 220.0 -278.0 -0.57 -1.4136 -0.9191 2021448 DHPC1.1_006598 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCCc5c[nH]c6ccc(OC)cc56 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D23 compound treatment 200.0 -395.0 -1.1 200.0 -298.0 -0.61 -1.2072 -0.9623 DHPC1.1_006599 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 D24 compound treatment 120.0 -475.0 -1.32 220.0 -278.0 -0.57 -1.3351 -0.9301 DHPC1.1_006600 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E01 compound treatment 260.0 -335.0 -0.93 560.0 62.1 0.13 -0.5664 -0.6042 DHPC1.1_006601 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E02 compound treatment 180.0 -415.0 -1.15 640.0 142.0 0.29 -0.6071 -0.5114 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E03 compound treatment 520.0 -74.7 -0.21 480.0 -17.9 -0.04 -0.1726 -0.8197 DHPC1.1_006603 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E04 compound treatment 180.0 -415.0 -1.15 320.0 -178.0 -0.37 -1.0721 -0.888 DHPC1.1_006604 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E05 compound treatment 160.0 -435.0 -1.21 440.0 -57.9 -0.12 -0.9369 -0.7731 2019398 DHPC1.1_006605 Cc1cc(NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3coc4ccccc34)ccc1N5C(=O)c6ccc(Cl)cc6C5=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E06 compound treatment 340.0 -255.0 -0.71 400.0 -97.9 -0.2 -0.642 -0.8737 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E07 compound treatment 320.0 -275.0 -0.76 720.0 222.0 0.46 -0.2162 -0.2433 DHPC1.1_006607 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E08 compound treatment 180.0 -415.0 -1.15 380.0 -118.0 -0.24 -0.9849 -0.8376 DHPC1.1_006608 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E09 compound treatment 180.0 -415.0 -1.15 900.0 402.0 0.83 -0.2292 -0.1618 DHPC1.1_006609 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E10 compound treatment 260.0 -335.0 -0.93 640.0 142.0 0.29 -0.4501 -0.4624 DHPC1.1_006610 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E11 compound treatment 140.0 -455.0 -1.26 560.0 62.1 0.13 -0.8018 -0.6323 DHPC1.1_006611 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E12 compound treatment 160.0 -435.0 -1.21 640.0 142.0 0.29 -0.6463 -0.5208 DHPC1.1_006612 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E13 compound treatment 100.0 -495.0 -1.37 720.0 222.0 0.46 -0.6477 -0.4478 DHPC1.1_006613 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E14 compound treatment 220.0 -375.0 -1.04 180.0 -318.0 -0.65 -1.1971 -0.9749 DHPC1.1_006614 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E15 compound treatment 160.0 -435.0 -1.21 140.0 -358.0 -0.74 -1.3729 -0.9719 DHPC1.1_006615 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E16 compound treatment 220.0 -375.0 -1.04 220.0 -278.0 -0.57 -1.1389 -0.9602 2021613 DHPC1.1_006616 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccc(cc4)c5nc6ccc(C)cc6s5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E17 compound treatment 140.0 -455.0 -1.26 160.0 -338.0 -0.69 -1.3831 -0.9604 2019722 DHPC1.1_006617 Cc1cc(NC(=O)C2=C[C@@H](C[C@H](OCCOCCO)O2)c3coc4ccccc4c3=O)ccc1N5C(=O)c6ccc(Cl)cc6C5=O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E18 compound treatment 180.0 -415.0 -1.15 240.0 -258.0 -0.53 -1.1883 -0.9381 DHPC1.1_006618 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E19 compound treatment 160.0 -435.0 -1.21 220.0 -278.0 -0.57 -1.2566 -0.9417 DHPC1.1_006619 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E20 compound treatment 200.0 -395.0 -1.1 160.0 -338.0 -0.69 -1.2654 -0.9758 DHPC1.1_006620 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E21 compound treatment 180.0 -415.0 -1.15 360.0 -138.0 -0.28 -1.014 -0.8557 DHPC1.1_006621 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E22 compound treatment 240.0 -355.0 -0.98 260.0 -238.0 -0.49 -1.0416 -0.9479 DHPC1.1_006622 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E23 compound treatment 160.0 -435.0 -1.21 120.0 -378.0 -0.78 -1.402 -0.9773 DHPC1.1_006623 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 E24 compound treatment 140.0 -455.0 -1.26 120.0 -378.0 -0.78 -1.4412 -0.9728 DHPC1.1_006624 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F01 compound treatment 160.0 -435.0 -1.21 640.0 142.0 0.29 -0.6463 -0.5208 DHPC1.1_006625 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F02 compound treatment 440.0 -155.0 -0.43 440.0 -57.9 -0.12 -0.3877 -0.8703 DHPC1.1_006626 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F03 compound treatment 200.0 -395.0 -1.1 480.0 -17.9 -0.04 -0.8003 -0.7304 DHPC1.1_006627 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F04 compound treatment 320.0 -275.0 -0.76 520.0 22.1 0.05 -0.5068 -0.6638 DHPC1.1_006628 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F05 compound treatment 260.0 -335.0 -0.93 780.0 282.0 0.58 -0.2467 -0.2253 DHPC1.1_006629 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F06 compound treatment 340.0 -255.0 -0.71 680.0 182.0 0.37 -0.2351 -0.294 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F07 compound treatment 320.0 -275.0 -0.76 340.0 -158.0 -0.32 -0.7684 -0.9276 DHPC1.1_006631 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F08 compound treatment 260.0 -335.0 -0.93 420.0 -77.9 -0.16 -0.7698 -0.817 DHPC1.1_006632 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F09 compound treatment 140.0 -455.0 -1.26 460.0 -37.9 -0.08 -0.9471 -0.7493 DHPC1.1_006633 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F10 compound treatment 320.0 -275.0 -0.76 460.0 -37.9 -0.08 -0.594 -0.7753 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F11 compound treatment 120.0 -475.0 -1.32 400.0 -97.9 -0.2 -1.0735 -0.8058 DHPC1.1_006635 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F12 compound treatment 160.0 -435.0 -1.21 640.0 142.0 0.29 -0.6463 -0.5208 DHPC1.1_006636 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F13 compound treatment 860.0 265.0 0.74 680.0 182.0 0.37 0.785 0.9508 DHPC1.1_006637 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F14 compound treatment 320.0 -275.0 -0.76 180.0 -318.0 -0.65 -1.0009 -0.9971 DHPC1.1_006638 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F15 compound treatment 240.0 -355.0 -0.98 460.0 -37.9 -0.08 -0.7509 -0.7607 DHPC1.1_006639 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F16 compound treatment 120.0 -475.0 -1.32 240.0 -258.0 -0.53 -1.306 -0.92 DHPC1.1_006640 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F17 compound treatment 320.0 -275.0 -0.76 420.0 -77.9 -0.16 -0.6521 -0.8374 DHPC1.1_006641 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F18 compound treatment 220.0 -375.0 -1.04 160.0 -338.0 -0.69 -1.2261 -0.9808 DHPC1.1_006642 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F19 compound treatment 180.0 -415.0 -1.15 200.0 -298.0 -0.61 -1.2465 -0.9564 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F20 compound treatment 200.0 -395.0 -1.1 180.0 -318.0 -0.65 -1.2363 -0.9695 DHPC1.1_006644 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F21 compound treatment 160.0 -435.0 -1.21 440.0 -57.9 -0.12 -0.9369 -0.7731 DHPC1.1_006645 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F22 compound treatment 340.0 -255.0 -0.71 200.0 -298.0 -0.61 -0.9326 -0.9974 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F23 compound treatment 220.0 -375.0 -1.04 140.0 -358.0 -0.74 -1.2552 -0.9856 DHPC1.1_006647 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 F24 compound treatment 320.0 -275.0 -0.76 320.0 -178.0 -0.37 -0.7975 -0.9434 DHPC1.1_006648 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G01 compound treatment 200.0 -395.0 -1.1 1020.0 522.0 1.07 -0.0156 -0.0102 2023398 DHPC1.1_006649 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2ccc3OCOc3c2)C(=O)NCc4nc5ccccc5[nH]4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G02 compound treatment 440.0 -155.0 -0.43 640.0 142.0 0.29 -0.097 -0.1869 2020887 DHPC1.1_006650 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc3nc4ccccc4[nH]3)c5ccccc5)cc1 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G03 compound treatment 400.0 -195.0 -0.54 840.0 342.0 0.7 0.1151 0.1299 2019808 DHPC1.1_006651 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCc3ccc(CO)cc3)O2)c4ccccc4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G04 compound treatment 360.0 -235.0 -0.65 760.0 262.0 0.54 -0.0796 -0.0942 2021779 DHPC1.1_006652 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccc3OCOc3c2)C(=O)Nc4ccccc4N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G05 compound treatment 200.0 -395.0 -1.1 660.0 162.0 0.33 -0.5388 -0.4707 2022345 DHPC1.1_006653 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCOCCOCCO)c2ccsc2)C(=O)NCc3nc4ccccc4[nH]3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G06 compound treatment 320.0 -275.0 -0.76 780.0 282.0 0.58 -0.129 -0.1347 2020509 DHPC1.1_006654 CC(=O)n1cc([C@H]2C[C@@H](OCCCCO)OC(=C2)C(=O)NCc3nc4ccccc4[nH]3)c5ccccc15 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G07 compound treatment 460.0 -135.0 -0.37 520.0 22.1 0.05 -0.2322 -0.6166 2019538 DHPC1.1_006655 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCOCCO)O2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G08 compound treatment 200.0 -395.0 -1.1 660.0 162.0 0.33 -0.5388 -0.4707 2020969 DHPC1.1_006656 Nc1ccccc1NC(=O)C2=C[C@H](C[C@@H](OCc3ccc(CO)cc3)O2)c4ccc5OCOc5c4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G09 compound treatment 140.0 -455.0 -1.26 640.0 142.0 0.29 -0.6855 -0.5294 2023101 DHPC1.1_006657 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)NCc3nc4ccccc4[nH]3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G10 compound treatment 340.0 -255.0 -0.71 860.0 362.0 0.74 0.0265 0.0258 DHPC1.1_006658 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G11 compound treatment 320.0 -275.0 -0.76 860.0 362.0 0.74 -0.0127 -0.0119 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G12 compound treatment 220.0 -375.0 -1.04 880.0 382.0 0.79 -0.1798 -0.138 DHPC1.1_006660 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G13 compound treatment 420.0 -175.0 -0.48 740.0 242.0 0.5 0.0091 0.013 2023344 DHPC1.1_006661 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCc5nc6ccccc6[nH]5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G14 compound treatment 240.0 -355.0 -0.98 640.0 142.0 0.29 -0.4894 -0.4767 DHPC1.1_006662 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G15 compound treatment 140.0 -455.0 -1.26 260.0 -238.0 -0.49 -1.2377 -0.9148 2019592 DHPC1.1_006663 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)Nc3ccccc3N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G16 compound treatment 340.0 -255.0 -0.71 380.0 -118.0 -0.24 -0.671 -0.8982 2021698 DHPC1.1_006664 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccccc2)C(=O)Nc3ccccc3N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G17 compound treatment 180.0 -415.0 -1.15 240.0 -258.0 -0.53 -1.1883 -0.9381 2023344 DHPC1.1_006665 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCc5nc6ccccc6[nH]5 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G18 compound treatment 460.0 -135.0 -0.37 460.0 -37.9 -0.08 -0.3194 -0.8365 DHPC1.1_006666 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G19 compound treatment 140.0 -455.0 -1.26 160.0 -338.0 -0.69 -1.3831 -0.9604 DHPC1.1_006667 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G20 compound treatment 320.0 -275.0 -0.76 220.0 -278.0 -0.57 -0.9428 -0.9899 2020618 DHPC1.1_006668 Nc1ccccc1NC(=O)C2=C[C@H](C[C@@H](OCCOCCO)O2)c3ccccc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G21 compound treatment 380.0 -215.0 -0.6 160.0 -338.0 -0.69 -0.9123 -0.9971 DHPC1.1_006669 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G22 compound treatment 160.0 -435.0 -1.21 100.0 -398.0 -0.82 -1.431 -0.9821 2022507 DHPC1.1_006670 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccccc2)C(=O)NCc3nc4ccccc4[nH]3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G23 compound treatment 340.0 -255.0 -0.71 180.0 -318.0 -0.65 -0.9617 -0.9992 DHPC1.1_006671 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 G24 compound treatment 320.0 -275.0 -0.76 160.0 -338.0 -0.69 -1.03 -0.9989 DHPC1.1_006672 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H01 compound treatment 460.0 -135.0 -0.37 880.0 382.0 0.79 0.291 0.3346 2023292 DHPC1.1_006673 CCO[C@@H]1OC(=C[C@H](C(C)C)[C@@H]1CCOCCOCCO)C(=O)Nc2ccccc2O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H02 compound treatment 520.0 -74.7 -0.21 540.0 42.1 0.09 -0.0854 -0.3802 2020754 DHPC1.1_006674 OCCOCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2O)c3coc4ccccc34 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H03 compound treatment 320.0 -275.0 -0.76 760.0 262.0 0.54 -0.158 -0.1693 DHPC1.1_006675 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H04 compound treatment 360.0 -235.0 -0.65 740.0 242.0 0.5 -0.1086 -0.1326 DHPC1.1_006676 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H05 compound treatment 560.0 -34.7 -0.1 960.0 462.0 0.95 0.6034 0.6321 2023508 DHPC1.1_006677 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccccc4O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H06 compound treatment 180.0 -415.0 -1.15 1040.0 542.0 1.11 -0.0258 -0.0161 2020700 DHPC1.1_006678 OCCOCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc2ccccc2O)c3ccc4OCOc4c3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H07 compound treatment 500.0 -94.7 -0.26 660.0 162.0 0.33 0.0497 0.1172 2021970 DHPC1.1_006679 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccccc2)C(=O)NCCCCC(=O)Nc3ccccc3N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H08 compound treatment 260.0 -335.0 -0.93 580.0 82.1 0.17 -0.5373 -0.5693 2021484 DHPC1.1_006680 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)NCCCCC(=O)Nc3ccccc3N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H09 compound treatment 400.0 -195.0 -0.54 840.0 342.0 0.7 0.1151 0.1299 2023130 DHPC1.1_006681 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccc3OCOc3c2)C(=O)Nc4ccccc4O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H10 compound treatment 200.0 -395.0 -1.1 720.0 222.0 0.46 -0.4516 -0.3806 2021618 DHPC1.1_006682 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)Nc4ccccc4O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H11 compound treatment 260.0 -335.0 -0.93 440.0 -57.9 -0.12 -0.7408 -0.7912 2019756 DHPC1.1_006683 Cc1c([C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)NCCCCC(=O)Nc3ccccc3N)c(=O)n(c4ccccc4)n1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H12 compound treatment 320.0 -275.0 -0.76 540.0 42.1 0.09 -0.4778 -0.6228 DHPC1.1_006684 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H13 compound treatment 240.0 -355.0 -0.98 640.0 142.0 0.29 -0.4894 -0.4767 2022077 DHPC1.1_006685 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccsc2)C(=O)Nc3ccccc3O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H14 compound treatment 400.0 -195.0 -0.54 200.0 -298.0 -0.61 -0.8149 -0.9981 DHPC1.1_006686 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H15 compound treatment 240.0 -355.0 -0.98 240.0 -258.0 -0.53 -1.0706 -0.9579 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H16 compound treatment 160.0 -435.0 -1.21 400.0 -97.9 -0.2 -0.9951 -0.8138 2022564 DHPC1.1_006688 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2ccc(cc2)C(=O)OC)C(=O)NCCCCC(=O)Nc3ccccc3N 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H17 compound treatment 260.0 -335.0 -0.93 140.0 -358.0 -0.74 -1.1767 -0.9933 DHPC1.1_006689 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H18 compound treatment 160.0 -435.0 -1.21 140.0 -358.0 -0.74 -1.3729 -0.9719 DHPC1.1_006690 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H19 compound treatment 380.0 -215.0 -0.6 240.0 -258.0 -0.53 -0.796 -0.9983 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H20 compound treatment 260.0 -335.0 -0.93 240.0 -258.0 -0.53 -1.0314 -0.9646 DHPC1.1_006692 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H21 compound treatment 320.0 -275.0 -0.76 1120.0 622.0 1.28 0.3651 0.2453 DHPC1.1_006693 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H22 compound treatment 320.0 -275.0 -0.76 120.0 -378.0 -0.78 -1.0881 -1.0 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H23 compound treatment 160.0 -435.0 -1.21 180.0 -318.0 -0.65 -1.3148 -0.9585 DHPC1.1_006695 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 H24 compound treatment 240.0 -355.0 -0.98 140.0 -358.0 -0.74 -1.216 -0.9897 DHPC1.1_006696 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I01 compound treatment 160.0 -435.0 -1.21 720.0 222.0 0.46 -0.53 -0.411 2019433 DHPC1.1_006697 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(cc3)C(=O)Nc4ccccc4N)c5ccccc15 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I02 compound treatment 500.0 -94.7 -0.26 800.0 302.0 0.62 0.2532 0.3755 DHPC1.1_006698 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I03 compound treatment 160.0 -435.0 -1.21 420.0 -77.9 -0.16 -0.966 -0.794 DHPC1.1_006699 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I04 compound treatment 520.0 -74.7 -0.21 660.0 162.0 0.33 0.089 0.2267 DHPC1.1_006700 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I05 compound treatment 500.0 -94.7 -0.26 760.0 262.0 0.54 0.1951 0.3254 DHPC1.1_006701 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I06 compound treatment 260.0 -335.0 -0.93 640.0 142.0 0.29 -0.4501 -0.4624 DHPC1.1_006702 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I07 compound treatment 380.0 -215.0 -0.6 760.0 262.0 0.54 -0.0403 -0.0502 2023160 DHPC1.1_006703 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCCO)c2ccsc2)C(=O)NCc3ccc(F)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I08 compound treatment 380.0 -215.0 -0.6 560.0 62.1 0.13 -0.331 -0.5433 DHPC1.1_006704 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I09 compound treatment 400.0 -195.0 -0.54 660.0 162.0 0.33 -0.1464 -0.2307 DHPC1.1_006705 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I10 compound treatment 200.0 -395.0 -1.1 640.0 142.0 0.29 -0.5678 -0.501 DHPC1.1_006706 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I11 compound treatment 320.0 -275.0 -0.76 640.0 142.0 0.29 -0.3324 -0.4073 2019434 DHPC1.1_006707 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(F)cc3)c4ccccc14 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I12 compound treatment 180.0 -415.0 -1.15 580.0 82.1 0.17 -0.6943 -0.597 2021702 DHPC1.1_006708 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccccc2)C(=O)NCc3ccc(F)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I13 compound treatment 180.0 -415.0 -1.15 700.0 202.0 0.42 -0.5199 -0.425 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I14 compound treatment 400.0 -195.0 -0.54 580.0 82.1 0.17 -0.2627 -0.4641 DHPC1.1_006710 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I15 compound treatment 340.0 -255.0 -0.71 140.0 -358.0 -0.74 -1.0198 -0.9998 DHPC1.1_006711 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I16 compound treatment 260.0 -335.0 -0.93 240.0 -258.0 -0.53 -1.0314 -0.9646 2021810 DHPC1.1_006712 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2ccsc2)C(=O)NCc3ccc(F)cc3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I17 compound treatment 260.0 -335.0 -0.93 320.0 -178.0 -0.37 -0.9152 -0.917 DHPC1.1_006713 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I18 compound treatment 320.0 -275.0 -0.76 180.0 -318.0 -0.65 -1.0009 -0.9971 DHPC1.1_006714 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I19 compound treatment 320.0 -275.0 -0.76 180.0 -318.0 -0.65 -1.0009 -0.9971 DHPC1.1_006715 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I20 compound treatment 320.0 -275.0 -0.76 160.0 -338.0 -0.69 -1.03 -0.9989 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I21 compound treatment 340.0 -255.0 -0.71 160.0 -338.0 -0.69 -0.9907 -1.0 DHPC1.1_006717 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I22 compound treatment 220.0 -375.0 -1.04 180.0 -318.0 -0.65 -1.1971 -0.9749 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I23 compound treatment 240.0 -355.0 -0.98 220.0 -278.0 -0.57 -1.0997 -0.9665 DHPC1.1_006719 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 I24 compound treatment 320.0 -275.0 -0.76 220.0 -278.0 -0.57 -0.9428 -0.9899 DHPC1.1_006720 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J01 compound treatment 640.0 45.3 0.13 640.0 142.0 0.29 0.2953 0.9289 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J02 compound treatment 520.0 -74.7 -0.21 500.0 2.11 0.0 -0.1435 -0.6922 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J03 compound treatment 640.0 45.3 0.13 560.0 62.1 0.13 0.179 1.0 DHPC1.1_006723 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J04 compound treatment 400.0 -195.0 -0.54 660.0 162.0 0.33 -0.1464 -0.2307 DHPC1.1_006724 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J05 compound treatment 320.0 -275.0 -0.76 640.0 142.0 0.29 -0.3324 -0.4073 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J06 compound treatment 420.0 -175.0 -0.48 480.0 -17.9 -0.04 -0.3688 -0.7586 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J07 compound treatment 360.0 -235.0 -0.65 560.0 62.1 0.13 -0.3702 -0.5579 DHPC1.1_006727 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J08 compound treatment 380.0 -215.0 -0.6 480.0 -17.9 -0.04 -0.4472 -0.7493 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J09 compound treatment 320.0 -275.0 -0.76 740.0 242.0 0.5 -0.1871 -0.2056 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J10 compound treatment 360.0 -235.0 -0.65 680.0 182.0 0.37 -0.1958 -0.2607 DHPC1.1_006730 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J11 compound treatment 380.0 -215.0 -0.6 660.0 162.0 0.33 -0.1857 -0.272 2020030 DHPC1.1_006731 Cc1c([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)N4CCOCCOCCOCCOCC4)c(=O)n(c5ccccc5)n1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J12 compound treatment 440.0 -155.0 -0.43 700.0 202.0 0.42 -0.0098 -0.0165 DHPC1.1_006732 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J13 compound treatment 440.0 -155.0 -0.43 460.0 -37.9 -0.08 -0.3586 -0.822 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 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J14 compound treatment 360.0 -235.0 -0.65 180.0 -318.0 -0.65 -0.9224 -1.0 DHPC1.1_006734 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J15 compound treatment 140.0 -455.0 -1.26 320.0 -178.0 -0.37 -1.1506 -0.876 DHPC1.1_006735 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J16 compound treatment 160.0 -435.0 -1.21 200.0 -298.0 -0.61 -1.2857 -0.9506 DHPC1.1_006736 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J17 compound treatment 180.0 -415.0 -1.15 320.0 -178.0 -0.37 -1.0721 -0.888 DHPC1.1_006737 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J18 compound treatment 320.0 -275.0 -0.76 340.0 -158.0 -0.32 -0.7684 -0.9276 DHPC1.1_006738 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J19 compound treatment 220.0 -375.0 -1.04 120.0 -378.0 -0.78 -1.2843 -0.9897 DHPC1.1_006739 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J20 compound treatment 180.0 -415.0 -1.15 480.0 -17.9 -0.04 -0.8396 -0.7293 DHPC1.1_006740 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J21 compound treatment 220.0 -375.0 -1.04 220.0 -278.0 -0.57 -1.1389 -0.9602 DHPC1.1_006741 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J22 compound treatment 180.0 -415.0 -1.15 160.0 -338.0 -0.69 -1.3046 -0.9708 DHPC1.1_006742 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J23 compound treatment 320.0 -275.0 -0.76 260.0 -238.0 -0.49 -0.8847 -0.977 DHPC1.1_006743 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 J24 compound treatment 340.0 -255.0 -0.71 120.0 -378.0 -0.78 -1.0489 -0.9989 DHPC1.1_006744 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K01 compound treatment 260.0 -335.0 -0.93 700.0 202.0 0.42 -0.3629 -0.3568 DHPC1.1_006745 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K02 compound treatment 760.0 165.0 0.46 680.0 182.0 0.37 0.5888 0.9949 DHPC1.1_006746 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K03 compound treatment 660.0 65.3 0.18 780.0 282.0 0.58 0.538 0.8857 DHPC1.1_006747 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K04 compound treatment 540.0 -54.7 -0.15 640.0 142.0 0.29 0.0991 0.3012 DHPC1.1_006748 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K05 compound treatment 320.0 -275.0 -0.76 1140.0 642.0 1.32 0.3942 0.2587 2022056 DHPC1.1_006749 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c2ccc3OCOc3c2)C(=O)N4CCCCCCC4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K06 compound treatment 320.0 -275.0 -0.76 580.0 82.1 0.17 -0.4196 -0.5375 DHPC1.1_006750 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K07 compound treatment 360.0 -235.0 -0.65 1140.0 642.0 1.32 0.4726 0.3212 2019249 DHPC1.1_006751 CC(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)NCCNc2ccc(cn2)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K08 compound treatment 420.0 -175.0 -0.48 1040.0 542.0 1.11 0.445 0.3663 2021895 DHPC1.1_006752 CCO[C@H]1OC(=C[C@H]([C@H]1CCOCCOCCO)c2coc3ccccc3c2=O)C(=O)NCCNc4ccc(cn4)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K09 compound treatment 140.0 -455.0 -1.26 720.0 222.0 0.46 -0.5693 -0.4243 DHPC1.1_006753 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K10 compound treatment 340.0 -255.0 -0.71 960.0 462.0 0.95 0.1718 0.1452 DHPC1.1_006754 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K11 compound treatment 460.0 -135.0 -0.37 720.0 222.0 0.46 0.0585 0.0991 DHPC1.1_006755 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K12 compound treatment 420.0 -175.0 -0.48 800.0 302.0 0.62 0.0963 0.1222 DHPC1.1_006756 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K13 compound treatment 500.0 -94.7 -0.26 640.0 142.0 0.29 0.0207 0.0526 DHPC1.1_006757 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K14 compound treatment 400.0 -195.0 -0.54 640.0 142.0 0.29 -0.1755 -0.2858 2021624 DHPC1.1_006758 CCO[C@H]1OC(=C[C@H]([C@H]1CCCO)c2coc3ccccc3c2=O)C(=O)N4CCCCCCC4 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K15 compound treatment 360.0 -235.0 -0.65 420.0 -77.9 -0.16 -0.5737 -0.8555 DHPC1.1_006759 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K16 compound treatment 360.0 -235.0 -0.65 640.0 142.0 0.29 -0.254 -0.3558 2022543 DHPC1.1_006760 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2cccc-3c2Cc4ccccc43)C(=O)NCCNc5ccc(cn5)[N+](=O)[O-] 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K17 compound treatment 520.0 -74.7 -0.21 220.0 -278.0 -0.57 -0.5504 -0.906 DHPC1.1_006761 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K18 compound treatment 240.0 -355.0 -0.98 320.0 -178.0 -0.37 -0.9544 -0.9091 DHPC1.1_006762 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K19 compound treatment 320.0 -275.0 -0.76 120.0 -378.0 -0.78 -1.0881 -1.0 DHPC1.1_006763 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K20 compound treatment 320.0 -275.0 -0.76 100.0 -398.0 -0.82 -1.1172 -0.9994 DHPC1.1_006764 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K21 compound treatment 560.0 -34.7 -0.1 100.0 -398.0 -0.82 -0.6464 -0.785 2019761 DHPC1.1_006765 Cc1c([C@@H]2C[C@H](OCCOCCO)OC(=C2)C(=O)N3CCCCCCC3)c(=O)n(c4ccccc4)n1C 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K22 compound treatment 540.0 -54.7 -0.15 200.0 -298.0 -0.61 -0.5403 -0.8565 DHPC1.1_006766 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K23 compound treatment 420.0 -175.0 -0.48 200.0 -298.0 -0.61 -0.7757 -0.9933 DHPC1.1_006767 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 K24 compound treatment 260.0 -335.0 -0.93 100.0 -398.0 -0.82 -1.2349 -0.998 DHPC1.1_006768 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L01 compound treatment 720.0 125.0 0.35 540.0 42.1 0.09 0.3069 0.857 DHPC1.1_006769 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L02 compound treatment 640.0 45.3 0.13 560.0 62.1 0.13 0.179 1.0 DHPC1.1_006770 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L03 compound treatment 540.0 -54.7 -0.15 700.0 202.0 0.42 0.1863 0.4213 DHPC1.1_006771 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L04 compound treatment 720.0 125.0 0.35 700.0 202.0 0.42 0.5394 0.9961 DHPC1.1_006772 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L05 compound treatment 580.0 -14.7 -0.04 1000.0 502.0 1.03 0.7008 0.6786 DHPC1.1_006773 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L06 compound treatment 580.0 -14.7 -0.04 720.0 222.0 0.46 0.2939 0.6412 DHPC1.1_006774 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L07 compound treatment 800.0 205.0 0.57 820.0 322.0 0.66 0.8707 0.9972 DHPC1.1_006775 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L08 compound treatment 460.0 -135.0 -0.37 820.0 322.0 0.66 0.2038 0.2681 2020790 DHPC1.1_006776 CC(=O)n1cc([C@H]2C[C@@H](OCCOCCO)OC(=C2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccccc16 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L09 compound treatment 360.0 -235.0 -0.65 780.0 282.0 0.58 -0.0505 -0.0579 DHPC1.1_006777 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L10 compound treatment 540.0 -54.7 -0.15 800.0 302.0 0.62 0.3316 0.5189 DHPC1.1_006778 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L11 compound treatment 220.0 -375.0 -1.04 960.0 462.0 0.95 -0.0636 -0.0451 DHPC1.1_006779 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L12 compound treatment 360.0 -235.0 -0.65 880.0 382.0 0.79 0.0948 0.0929 DHPC1.1_006780 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L13 compound treatment 360.0 -235.0 -0.65 480.0 -17.9 -0.04 -0.4865 -0.7459 DHPC1.1_006781 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L14 compound treatment 440.0 -155.0 -0.43 180.0 -318.0 -0.65 -0.7655 -0.9792 DHPC1.1_006782 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L15 compound treatment 440.0 -155.0 -0.43 180.0 -318.0 -0.65 -0.7655 -0.9792 DHPC1.1_006783 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L16 compound treatment 360.0 -235.0 -0.65 200.0 -298.0 -0.61 -0.8934 -0.9995 DHPC1.1_006784 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L17 compound treatment 400.0 -195.0 -0.54 320.0 -178.0 -0.37 -0.6405 -0.9819 DHPC1.1_006785 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L18 compound treatment 400.0 -195.0 -0.54 200.0 -298.0 -0.61 -0.8149 -0.9981 DHPC1.1_006786 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L19 compound treatment 660.0 65.3 0.18 160.0 -338.0 -0.69 -0.363 -0.5058 DHPC1.1_006787 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L20 compound treatment 520.0 -74.7 -0.21 660.0 162.0 0.33 0.089 0.2267 DHPC1.1_006788 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L21 compound treatment 320.0 -275.0 -0.76 160.0 -338.0 -0.69 -1.03 -0.9989 DHPC1.1_006789 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L22 compound treatment 520.0 -74.7 -0.21 160.0 -338.0 -0.69 -0.6376 -0.8798 DHPC1.1_006790 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L23 compound treatment 700.0 105.0 0.29 140.0 -358.0 -0.74 -0.3136 -0.3963 DHPC1.1_006791 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 L24 compound treatment 340.0 -255.0 -0.71 120.0 -378.0 -0.78 -1.0489 -0.9989 DHPC1.1_006792 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M01 compound treatment 340.0 -255.0 -0.71 640.0 142.0 0.29 -0.2932 -0.3834 DHPC1.1_006793 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M02 compound treatment 820.0 225.0 0.62 900.0 402.0 0.83 1.0262 0.9905 DHPC1.1_006794 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M03 compound treatment 500.0 -94.7 -0.26 580.0 82.1 0.17 -0.0665 -0.213 DHPC1.1_006795 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M04 compound treatment 420.0 -175.0 -0.48 960.0 462.0 0.95 0.3288 0.3083 DHPC1.1_006796 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M05 compound treatment 680.0 85.3 0.24 640.0 142.0 0.29 0.3738 0.9945 DHPC1.1_006797 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M06 compound treatment 360.0 -235.0 -0.65 820.0 322.0 0.66 0.0076 0.0082 DHPC1.1_006798 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M07 compound treatment 780.0 185.0 0.51 840.0 342.0 0.7 0.8606 0.9881 DHPC1.1_006799 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M08 compound treatment 400.0 -195.0 -0.54 500.0 2.11 0.0 -0.3789 -0.7014 DHPC1.1_006800 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M09 compound treatment 480.0 -115.0 -0.32 980.0 482.0 0.99 0.4755 0.4569 2023329 DHPC1.1_006801 CCO[C@@H]1OC(=C[C@@H]([C@@H]1CCOCCOCCO)c2ccccc2)C(=O)NCC3CC3 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M10 compound treatment 860.0 265.0 0.74 740.0 242.0 0.5 0.8722 0.9818 DHPC1.1_006802 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M11 compound treatment 640.0 45.3 0.13 640.0 142.0 0.29 0.2953 0.9289 DHPC1.1_006803 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M12 compound treatment 580.0 -14.7 -0.04 520.0 22.1 0.05 0.0032 0.0526 DHPC1.1_006804 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M13 compound treatment 580.0 -14.7 -0.04 500.0 2.11 0.0 -0.0258 -0.6288 DHPC1.1_006805 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M14 compound treatment 760.0 165.0 0.46 460.0 -37.9 -0.08 0.2691 0.5787 DHPC1.1_006806 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M15 compound treatment 560.0 -34.7 -0.1 420.0 -77.9 -0.16 -0.1813 -0.9705 DHPC1.1_006807 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M16 compound treatment 900.0 305.0 0.85 140.0 -358.0 -0.74 0.0787 0.0702 DHPC1.1_006808 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M17 compound treatment 640.0 45.3 0.13 260.0 -238.0 -0.49 -0.2569 -0.509 DHPC1.1_006809 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M18 compound treatment 660.0 65.3 0.18 500.0 2.11 0.0 0.1311 0.7238 DHPC1.1_006810 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M19 compound treatment 700.0 105.0 0.29 160.0 -338.0 -0.69 -0.2845 -0.3777 DHPC1.1_006811 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M20 compound treatment 1040.0 445.0 1.24 180.0 -318.0 -0.65 0.4115 0.2945 DHPC1.1_006812 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M21 compound treatment 960.0 365.0 1.01 80.0 -418.0 -0.86 0.1092 0.0822 DHPC1.1_006813 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M22 compound treatment 580.0 -14.7 -0.04 360.0 -138.0 -0.28 -0.2293 -0.8008 DHPC1.1_006814 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M23 compound treatment 780.0 185.0 0.51 100.0 -398.0 -0.82 -0.2148 -0.2224 DHPC1.1_006815 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 M24 compound treatment 520.0 -74.7 -0.21 140.0 -358.0 -0.74 -0.6667 -0.8724 DHPC1.1_006816 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N01 compound treatment 700.0 105.0 0.29 720.0 222.0 0.46 0.5293 0.9767 DHPC1.1_006817 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N02 compound treatment 1060.0 465.0 1.29 660.0 162.0 0.33 1.1483 0.8614 DHPC1.1_006818 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N03 compound treatment 580.0 -14.7 -0.04 980.0 482.0 0.99 0.6717 0.6774 DHPC1.1_006819 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N04 compound treatment 540.0 -54.7 -0.15 800.0 302.0 0.62 0.3316 0.5189 DHPC1.1_006820 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N05 compound treatment 1040.0 445.0 1.24 720.0 222.0 0.46 1.1962 0.9084 DHPC1.1_006821 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N06 compound treatment 1020.0 425.0 1.18 720.0 222.0 0.46 1.157 0.9146 DHPC1.1_006822 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N07 compound treatment 860.0 265.0 0.74 880.0 382.0 0.79 1.0756 0.9995 DHPC1.1_006823 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N08 compound treatment 520.0 -74.7 -0.21 780.0 282.0 0.58 0.2634 0.4277 DHPC1.1_006824 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N09 compound treatment 780.0 185.0 0.51 860.0 362.0 0.74 0.8896 0.9837 DHPC1.1_006825 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N10 compound treatment 820.0 225.0 0.62 780.0 282.0 0.58 0.8518 0.9993 2020604 DHPC1.1_006826 CC(C)[C@H]1C[C@@H](OCCOCCO)OC(=C1)C(=O)O 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N11 compound treatment 660.0 65.3 0.18 480.0 -17.9 -0.04 0.102 0.5522 DHPC1.1_006827 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N12 compound treatment 820.0 225.0 0.62 680.0 182.0 0.37 0.7065 0.9699 DHPC1.1_006828 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N13 compound treatment 1060.0 465.0 1.29 900.0 402.0 0.83 1.497 0.9768 DHPC1.1_006829 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N14 compound treatment 660.0 65.3 0.18 180.0 -318.0 -0.65 -0.3339 -0.4926 DHPC1.1_006830 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N15 compound treatment 800.0 205.0 0.57 120.0 -378.0 -0.78 -0.1465 -0.1521 DHPC1.1_006831 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N16 compound treatment 800.0 205.0 0.57 320.0 -178.0 -0.37 0.1441 0.213 DHPC1.1_006832 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N17 compound treatment 820.0 225.0 0.62 160.0 -338.0 -0.69 -0.0491 -0.0526 DHPC1.1_006833 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N18 compound treatment 1180.0 585.0 1.62 320.0 -178.0 -0.37 0.8896 0.5345 DHPC1.1_006834 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N19 compound treatment 680.0 85.3 0.24 140.0 -358.0 -0.74 -0.3528 -0.4567 DHPC1.1_006835 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N20 compound treatment 960.0 365.0 1.01 180.0 -318.0 -0.65 0.2546 0.2111 DHPC1.1_006836 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N21 compound treatment 1100.0 505.0 1.4 240.0 -258.0 -0.53 0.6164 0.4113 DHPC1.1_006837 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N22 compound treatment 640.0 45.3 0.13 160.0 -338.0 -0.69 -0.4022 -0.57 DHPC1.1_006838 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N23 compound treatment 880.0 285.0 0.79 160.0 -338.0 -0.69 0.0686 0.0651 DHPC1.1_006839 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 N24 compound treatment 1320.0 725.0 2.01 320.0 -178.0 -0.37 1.1642 0.5693 DHPC1.1_006840 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O01 compound treatment 840.0 245.0 0.68 640.0 142.0 0.29 0.6876 0.9287 DHPC1.1_006841 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O02 compound treatment 340.0 -255.0 -0.71 900.0 402.0 0.83 0.0846 0.0778 DHPC1.1_006842 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O03 compound treatment 540.0 -54.7 -0.15 1280.0 782.0 1.61 1.0292 0.6375 DHPC1.1_006843 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O04 compound treatment 520.0 -74.7 -0.21 900.0 402.0 0.83 0.4377 0.5138 DHPC1.1_006844 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O05 compound treatment 840.0 245.0 0.68 1220.0 722.0 1.48 1.5305 0.9375 DHPC1.1_006845 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O06 compound treatment 760.0 165.0 0.46 1280.0 782.0 1.61 1.4608 0.8739 DHPC1.1_006846 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O07 compound treatment 660.0 65.3 0.18 1400.0 902.0 1.85 1.439 0.7725 DHPC1.1_006847 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O08 compound treatment 540.0 -54.7 -0.15 1200.0 702.0 1.44 0.9129 0.6292 DHPC1.1_006848 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O09 compound treatment 460.0 -135.0 -0.37 760.0 262.0 0.54 0.1166 0.1778 DHPC1.1_006849 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O10 compound treatment 660.0 65.3 0.18 960.0 462.0 0.95 0.7996 0.827 DHPC1.1_006850 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O11 compound treatment 760.0 165.0 0.46 900.0 402.0 0.83 0.9085 0.9614 DHPC1.1_006851 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O12 compound treatment 380.0 -215.0 -0.6 740.0 242.0 0.5 -0.0694 -0.0894 DHPC1.1_006852 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O13 compound treatment 500.0 -94.7 -0.26 640.0 142.0 0.29 0.0207 0.0526 DHPC1.1_006853 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O14 compound treatment 480.0 -115.0 -0.32 560.0 62.1 0.13 -0.1348 -0.3931 DHPC1.1_006854 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O15 compound treatment 860.0 265.0 0.74 120.0 -378.0 -0.78 -0.0288 -0.0269 DHPC1.1_006855 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O16 compound treatment 640.0 45.3 0.13 240.0 -258.0 -0.53 -0.286 -0.525 DHPC1.1_006856 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O17 compound treatment 420.0 -175.0 -0.48 100.0 -398.0 -0.82 -0.921 -0.9688 DHPC1.1_006857 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O18 compound treatment 960.0 365.0 1.01 200.0 -298.0 -0.61 0.2836 0.2396 DHPC1.1_006858 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O19 compound treatment 960.0 365.0 1.01 240.0 -258.0 -0.53 0.3417 0.2988 DHPC1.1_006859 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O20 compound treatment 820.0 225.0 0.62 260.0 -238.0 -0.49 0.0962 0.1212 DHPC1.1_006860 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O21 compound treatment 820.0 225.0 0.62 200.0 -298.0 -0.61 0.009 0.0103 DHPC1.1_006861 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O22 compound treatment 400.0 -195.0 -0.54 200.0 -298.0 -0.61 -0.8149 -0.9981 DHPC1.1_006862 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O23 compound treatment 400.0 -195.0 -0.54 160.0 -338.0 -0.69 -0.873 -0.9923 DHPC1.1_006863 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 O24 compound treatment 740.0 145.0 0.4 440.0 -57.9 -0.12 0.2008 0.4779 DHPC1.1_006864 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P01 compound treatment 780.0 185.0 0.51 1060.0 562.0 1.16 1.1803 0.9335 DHPC1.1_006865 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P02 compound treatment 660.0 65.3 0.18 1140.0 642.0 1.32 1.0611 0.7967 DHPC1.1_006866 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P03 compound treatment 680.0 85.3 0.24 740.0 242.0 0.5 0.5191 0.9422 DHPC1.1_006867 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P04 compound treatment 360.0 -235.0 -0.65 860.0 362.0 0.74 0.0657 0.0665 DHPC1.1_006868 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P05 mock treatment 500.0 -94.7 -0.26 900.0 402.0 0.83 0.3985 0.4595 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P06 mock treatment 540.0 -54.7 -0.15 960.0 462.0 0.95 0.5642 0.5866 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P07 mock treatment 760.0 165.0 0.46 640.0 142.0 0.29 0.5307 0.9763 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P08 mock treatment 420.0 -175.0 -0.48 1020.0 522.0 1.07 0.416 0.3533 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P09 mock treatment 460.0 -135.0 -0.37 1280.0 782.0 1.61 0.8723 0.5286 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P10 mock treatment 580.0 -14.7 -0.04 800.0 302.0 0.62 0.4101 0.6591 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P11 mock treatment 540.0 -54.7 -0.15 760.0 262.0 0.54 0.2735 0.4887 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P12 mock treatment 800.0 205.0 0.57 800.0 302.0 0.62 0.8417 0.9991 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P13 mock treatment 880.0 285.0 0.79 960.0 462.0 0.95 1.2311 0.9959 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P14 mock treatment 360.0 -235.0 -0.65 200.0 -298.0 -0.61 -0.8934 -0.9995 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P15 mock treatment 640.0 45.3 0.13 380.0 -118.0 -0.24 -0.0825 -0.3024 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P16 mock treatment 340.0 -255.0 -0.71 160.0 -338.0 -0.69 -0.9907 -1.0 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P17 mock treatment 960.0 365.0 1.01 360.0 -138.0 -0.28 0.5161 0.4905 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P18 mock treatment 340.0 -255.0 -0.71 140.0 -358.0 -0.74 -1.0198 -0.9998 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P19 mock treatment 640.0 45.3 0.13 580.0 82.1 0.17 0.2081 0.9894 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P20 mock treatment 1600.0 1010.0 2.79 100.0 -398.0 -0.82 1.3938 0.4796 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P21 mock treatment 660.0 65.3 0.18 100.0 -398.0 -0.82 -0.4502 -0.5375 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P22 mock treatment 340.0 -255.0 -0.71 220.0 -278.0 -0.57 -0.9035 -0.9944 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P23 mock treatment 820.0 225.0 0.62 220.0 -278.0 -0.57 0.038 0.0449 900.0018 EndoLuminesce(900.0018) AnnotationDevelopment 900.0018.1260 P24 mock treatment 720.0 125.0 0.35 160.0 -338.0 -0.69 -0.2453 -0.3159