Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000000631978 21/20/69/570212069 URLTYXNPXRFGPR-UHFFFAOYSA-N 0 397.456 GE 2.422 0 Clean ref GECARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)c(C)c1 ZINC000000659721 17/14/14/212171414 XTEOTHKQVHBSQI-NTEUORMPSA-N -1 384.413 GE 2.298 1 Clean mid GECAMM COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)o2)c(C)c1 COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)c(C)c1 ZINC000000659721 17/14/08/212171408 XTEOTHKQVHBSQI-NTEUORMPSA-N 0 384.413 GE 2.298 0 Clean ref GECARN COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)c(C)c1 CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O ZINC000000660910 31/26/95/206312695 GSWNGWHMBQINQW-XNTDXEJSSA-N 0 381.388 GE 2.047 0 Anodyne ref GEAARN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O O=C(O)Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000000693495 17/49/03/212174903 WUFOGDSZFSPZPX-RQZCQDPDSA-N -1 375.409 GE 2.496 0 Anodyne ref GEAARM O=C([O-])Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 CCOC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2OC)C1=O ZINC000000979929 20/17/64/212201764 AESFMRCTCBHDRT-AUWJEWJLSA-N 0 381.406 GE 2.312 0 Anodyne ref GEAARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2OC)C1=O Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000000980482 33/89/54/206338954 BNHXFANJVANERV-UHFFFAOYSA-N -1 397.456 GE 2.391 0 Clean ref GECARM Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O ZINC000000981569 33/83/31/206338331 KIFNZZXLTKMJPU-MKMNVTDBSA-N 0 379.39 GE 2.413 0 Anodyne ref GEAARN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(I)o1 ZINC000000997477 34/05/81/206340581 FNCKFDUYAJBJIE-JTQLQIEISA-N 0 376.15 GE 2.075 0 Anodyne ref GEAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(I)o1 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(I)o1 ZINC000000997478 28/71/30/209287130 FNCKFDUYAJBJIE-SNVBAGLBSA-N 0 376.15 GE 2.075 0 Anodyne ref GEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(I)o1 COC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O ZINC000001018634 28/92/56/209289256 BLUCSISAWVJVMZ-VGOFMYFVSA-N 0 388.401 GE 2.024 0 Anodyne ref GEAARN COC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O CN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(C)C1=O ZINC000001060738 21/29/37/212212937 XOTBAMNYPIYZQH-UHFFFAOYSA-N 0 382.332 GE 2.216 0 Clean ref GECARN CN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(C)C1=O CCOC(=O)c1cnc(SCC(=O)Nc2ccc(F)c(F)c2F)nc1N ZINC000001070459 29/64/40/209296440 KSZGLOPWSPDRQA-UHFFFAOYSA-N 0 386.355 GE 2.384 0 Anodyne ref GEAARN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(F)c(F)c2F)nc1N COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000001073313 88/09/79/203880979 FCLMSGZUECLHAK-GFCCVEGCSA-N 0 385.214 GE 2.267 0 Anodyne ref GEAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OC)c(OC)c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000001073316 34/97/53/206349753 FCLMSGZUECLHAK-LBPRGKRZSA-N 0 385.214 GE 2.267 0 Anodyne ref GEAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OC)c(OC)c1 C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)C1=O ZINC000001078056 77/85/06/203778506 PDOKVSQQTRRQOS-XNTDXEJSSA-N 0 375.402 GE 2.307 0 Mild ref GEEARN C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)C1=O Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000001092423 24/14/62/570241462 KCGUKDIVDWULSF-LDADJPATSA-N -1 382.489 GE 2.276 1 Clean mid GECAMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000001092423 24/14/54/570241454 KCGUKDIVDWULSF-LDADJPATSA-N 0 382.489 GE 2.276 0 Clean ref GECARN Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 Oc1c(I)cc(Br)cc1/C=N/n1cnnc1 ZINC000001092690 29/99/18/209299918 IXBSEBLHOXMATO-LZWSPWQCSA-N 0 392.982 GE 2.233 1 Mild mid GEEAMN Oc1c(I)cc(Br)cc1/C=N/n1cnnc1 Oc1c(I)cc(Br)cc1/C=N/n1cnnc1 ZINC000001092690 29/99/14/209299914 IXBSEBLHOXMATO-LZWSPWQCSA-N -1 392.982 GE 2.233 0 Mild ref GEEARM [O-]c1c(I)cc(Br)cc1/C=N/n1cnnc1 COc1cc(/C=C2/NC(=O)NC2=O)c(Br)c(Br)c1O ZINC000001097477 21/61/89/212216189 OBAVZZVMCPNRQS-GORDUTHDSA-N -2 392.003 GE 2.106 3 Anodyne high GEAAHL COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)c(Br)c1[O-] COc1cc(/C=C2/NC(=O)NC2=O)c(Br)c(Br)c1O ZINC000001097477 21/61/87/212216187 OBAVZZVMCPNRQS-GORDUTHDSA-N -1 392.003 GE 2.106 1 Anodyne mid GEAAMM COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)c(Br)c1O COc1cc(/C=C2/NC(=O)NC2=O)c(Br)c(Br)c1O ZINC000001097477 21/61/83/212216183 OBAVZZVMCPNRQS-GORDUTHDSA-N 0 392.003 GE 2.106 0 Anodyne ref GEAARN COc1cc(/C=C2/NC(=O)NC2=O)c(Br)c(Br)c1O CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)cc1OC ZINC000001122297 24/39/01/570243901 BMRPDSWTXGYJNA-UHFFFAOYSA-N 0 397.225 GE 2.29 0 Clean ref GECARN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)cc1OC CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 ZINC000001133884 35/68/02/206356802 JRZAZTAMHSJFNZ-LUHPIMIVSA-N 0 393.417 GE 2.226 0 Anodyne ref GEAARN CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 ZINC000001133886 47/79/09/220477909 JRZAZTAMHSJFNZ-ZECSTPGPSA-N 0 393.417 GE 2.226 0 Anodyne ref GEAARN CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000001134428 35/70/61/206357061 RJKFPDVVZYCWIQ-OQLLNIDSSA-N 0 399.472 GE 2.49 1 Clean mid GECAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c(OC)c1 COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000001134428 35/70/56/206357056 RJKFPDVVZYCWIQ-OQLLNIDSSA-N -1 399.472 GE 2.49 0 Clean ref GECARM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)[N-]C2=S)c(OC)c1 COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O ZINC000001136084 24/69/59/570246959 RPHYLSYWSSGEBP-UHFFFAOYSA-N -1 375.631 GE 2.025 1 Clean mid GECAMM COc1c(Br)cc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O ZINC000001136084 24/69/51/570246951 RPHYLSYWSSGEBP-UHFFFAOYSA-N 0 375.631 GE 2.025 0 Clean ref GECARN COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccn1 ZINC000001141220 24/78/78/570247878 LKKFNEBARDZYIX-OAHLLOKOSA-N 0 394.168 GE 2.099 0 Anodyne ref GEAARN O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccn1 O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccn1 ZINC000001141221 35/87/77/206358777 LKKFNEBARDZYIX-HNNXBMFYSA-N 0 394.168 GE 2.099 0 Anodyne ref GEAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccn1 O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000001152949 36/14/91/206361491 MRLJMXMLZXSWHF-AQTBWJFISA-N 0 395.39 GE 2.329 2 Clean low GECALN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000001152949 36/14/87/206361487 MRLJMXMLZXSWHF-AQTBWJFISA-N -1 395.39 GE 2.329 0 Clean ref GECARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)ccc21 ZINC000001161612 25/20/53/570252053 VUCXUGJGFXEBHA-OQLLNIDSSA-N 0 380.379 GE 2.109 0 Anodyne ref GEAARN Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)ccc21 CCOc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000001171661 22/48/71/212224871 AFAIKXTVDHUKCU-UHFFFAOYSA-N 0 397.225 GE 2.29 0 Clean ref GECARN CCOc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 ZINC000001175469 22/58/29/212225829 WYBCEWZBBBASBV-UHFFFAOYSA-N 0 394.431 GE 2.486 0 Clean ref GECARN CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001176468 25/44/08/570254408 LZTFXJOEMAUKBH-UHFFFAOYSA-N 0 381.388 GE 2.257 0 Clean ref GECARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O ZINC000001176835 25/44/33/570254433 YULGMBOTKJLTAQ-UHFFFAOYSA-N -1 399.266 GE 2.152 3 Clean high GECAHM CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1[O-] CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O ZINC000001176835 25/44/31/570254431 YULGMBOTKJLTAQ-UHFFFAOYSA-N 0 399.266 GE 2.152 0 Clean ref GECARN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c(C)c1 ZINC000001178830 25/48/89/570254889 JBJXKSVTNZLWIZ-UHFFFAOYSA-N 0 382.372 GE 2.475 0 Clean ref GECARN COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c(C)c1 CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1O ZINC000001184913 25/62/01/570256201 QKVWVOSCNSWBOE-LBPRGKRZSA-N -1 385.214 GE 2.354 3 Anodyne high GEAAHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1[O-] CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1O ZINC000001184913 25/62/00/570256200 QKVWVOSCNSWBOE-LBPRGKRZSA-N 0 385.214 GE 2.354 0 Anodyne ref GEAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1O CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1O ZINC000001184914 36/58/20/206365820 QKVWVOSCNSWBOE-GFCCVEGCSA-N -1 385.214 GE 2.354 3 Anodyne high GEAAHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1[O-] CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1O ZINC000001184914 36/58/18/206365818 QKVWVOSCNSWBOE-GFCCVEGCSA-N 0 385.214 GE 2.354 0 Anodyne ref GEAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1O O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(Br)cc1 ZINC000001185920 95/41/56/570954156 QOQJXQZTTVFWMO-UHFFFAOYSA-N -1 376.235 GE 2.154 1 Clean mid GECAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccn1-c1ccc(Br)cc1 O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(Br)cc1 ZINC000001185920 95/41/55/570954155 QOQJXQZTTVFWMO-UHFFFAOYSA-N 0 376.235 GE 2.154 0 Clean ref GECARN O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(Br)cc1 O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 ZINC000001185947 89/45/85/203894585 DEKJSIGDSVCDLM-UHFFFAOYSA-N -2 376.777 GE 2.212 1 Clean mid GECAML O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 ZINC000001185947 89/45/80/203894580 DEKJSIGDSVCDLM-UHFFFAOYSA-N -1 376.777 GE 2.212 0 Clean ref GECARM O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 ZINC000001201190 25/76/85/570257685 XVHIIYOZOGMWPU-MHWRWJLKSA-N -1 380.356 GE 2.125 2 Clean low GECALM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 ZINC000001201190 25/76/81/570257681 XVHIIYOZOGMWPU-MHWRWJLKSA-N -2 380.356 GE 2.125 0 Clean ref GECARL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1 Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000001201367 36/69/07/206366907 LNKBPFMLQZJSLD-UHFFFAOYSA-N 0 382.376 GE 2.436 0 Clean ref GECARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 O=C(Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21)Nc1ccccc1 ZINC000001211467 31/43/98/209314398 GDWWIULKFMLVBC-UHFFFAOYSA-N 0 388.383 GE 2.029 1 Clean mid GECAMN O=C(Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21)Nc1ccccc1 O=C(Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21)Nc1ccccc1 ZINC000001211467 31/43/91/209314391 GDWWIULKFMLVBC-UHFFFAOYSA-N -1 388.383 GE 2.029 0 Clean ref GECARM O=C(Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21)Nc1ccccc1 O=C1NC(=S)S/C1=C1\C(=O)Nc2ccc(I)cc21 ZINC000001234215 31/79/55/209317955 GNNSMXAOXUFMTC-FPLPWBNLSA-N -1 388.211 GE 2.102 1 Clean mid GECAMM O=C1[N-]C(=S)S/C1=C1\C(=O)Nc2ccc(I)cc21 O=C1NC(=S)S/C1=C1\C(=O)Nc2ccc(I)cc21 ZINC000001234215 31/79/52/209317952 GNNSMXAOXUFMTC-FPLPWBNLSA-N 0 388.211 GE 2.102 0 Clean ref GECARN O=C1NC(=S)S/C1=C1\C(=O)Nc2ccc(I)cc21 COc1cc2c(cc1/C=C1\C(=O)N=C(O)N(c3cccc(F)c3)C1=O)OCO2 ZINC000001274698 37/10/62/206371062 ZTHMTWVDOFDVOM-WLRTZDKTSA-N 0 384.319 GE 2.434 2 Clean low GECALN COc1cc2c(cc1C=C1C(=O)NC(=O)N(c3cccc(F)c3)C1=O)OCO2 COc1cc2c(cc1/C=C1\C(=O)N=C(O)N(c3cccc(F)c3)C1=O)OCO2 ZINC000001274698 37/10/58/206371058 ZTHMTWVDOFDVOM-WLRTZDKTSA-N -1 384.319 GE 2.434 0 Clean ref GECARM COc1cc2c(cc1C=C1C(=O)[N-]C(=O)N(c3cccc(F)c3)C1=O)OCO2 CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br ZINC000001407302 32/63/40/209326340 ARXRFQNFCZNQCI-UHFFFAOYSA-N 0 383.267 GE 2.447 0 Clean ref GECARN CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000002082270 27/39/18/570273918 MWCRHYPMXWHAFH-RAXLEYEMSA-N 0 382.332 GE 2.182 2 Clean low GECALN COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000002082270 27/39/16/570273916 MWCRHYPMXWHAFH-RAXLEYEMSA-N -1 382.332 GE 2.182 0 Clean ref GECARM COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002163225 27/67/60/570276760 BBDJDZJPXQUAJO-JASJWYONSA-N -1 396.424 GE 2.37 1 Clean mid GECAMM C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-] C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002163225 27/67/57/570276757 BBDJDZJPXQUAJO-JASJWYONSA-N -2 396.424 GE 2.37 0 Clean ref GECARL C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-] C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002163230 34/90/38/209349038 BBDJDZJPXQUAJO-PILJQMSFSA-N -1 396.424 GE 2.37 1 Clean mid GECAMM C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-] C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002163230 34/90/34/209349034 BBDJDZJPXQUAJO-PILJQMSFSA-N -2 396.424 GE 2.37 0 Clean ref GECARL C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-] Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C ZINC000002246192 28/05/16/570280516 ORJMIJJVYBEJQQ-OQLLNIDSSA-N -2 397.456 GE 2.357 1 Clean mid GECAML Cc1c(C(=O)[O-])cccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1C Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C ZINC000002246192 28/05/15/570280515 ORJMIJJVYBEJQQ-OQLLNIDSSA-N -1 397.456 GE 2.357 0 Clean ref GECARM Cc1c(C(=O)[O-])cccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(C)C2=O)c1C Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1C ZINC000002304155 28/18/58/570281858 YIJUBEZFTZFFFE-LICLKQGHSA-N -1 394.383 GE 2.433 2 Clean low GECALM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1C Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1C ZINC000002304155 28/18/57/570281857 YIJUBEZFTZFFFE-LICLKQGHSA-N -2 394.383 GE 2.433 0 Clean ref GECARL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1C COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1cccc(C(=O)O)c1 ZINC000002307201 28/19/08/570281908 NFLKBISKTFCXGX-ZSOIEALJSA-N -2 384.413 GE 2.318 1 Anodyne mid GEAAML COc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1OCc1cccc(C(=O)[O-])c1 COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1cccc(C(=O)O)c1 ZINC000002307201 28/19/05/570281905 NFLKBISKTFCXGX-ZSOIEALJSA-N -1 384.413 GE 2.318 0 Anodyne ref GEAARM COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(C)C3=O)c2C)cc1 ZINC000002443954 36/39/78/209363978 QKDIBUHZNYNBQZ-LICLKQGHSA-N 0 380.404 GE 2.349 1 Clean mid GECAMN CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C)C3=O)c2C)cc1 CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(C)C3=O)c2C)cc1 ZINC000002443954 36/39/75/209363975 QKDIBUHZNYNBQZ-LICLKQGHSA-N -1 380.404 GE 2.349 0 Clean ref GECARM CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1 Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C ZINC000002736178 29/69/91/570296991 GOTRRVUGDGBRKG-UHFFFAOYSA-N -2 383.429 GE 2.015 1 Clean mid GECAML Cc1cc(C(=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C ZINC000002736178 29/69/90/570296990 GOTRRVUGDGBRKG-UHFFFAOYSA-N -1 383.429 GE 2.015 0 Clean ref GECARM Cc1cc(C(=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C CCOc1c(O)ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000002742909 29/76/77/570297677 PJXZCFZEHXLDKC-GIJQJNRQSA-N -1 385.384 GE 2.284 1 Mild mid GEEAMM CCOc1c([O-])ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1[N+](=O)[O-] CCOc1c(O)ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000002742909 29/76/74/570297674 PJXZCFZEHXLDKC-GIJQJNRQSA-N 0 385.384 GE 2.284 0 Mild ref GEEARN CCOc1c(O)ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1[N+](=O)[O-] COc1cc(OC)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br ZINC000002785223 50/54/64/531505464 YYCVOTNVIBLVNP-UHFFFAOYSA-N 0 399.266 GE 2.065 0 Clean ref GECARN COc1cc(OC)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)N(CC(=O)O)C1=O ZINC000002833158 50/65/04/531506504 BBPBIXITAAXZSK-NTEUORMPSA-N -1 378.475 GE 2.117 0 Clean ref GECARM Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(C)s2)c1 ZINC000002875622 93/36/66/570933666 FKBOYFKMYLEEPQ-UHFFFAOYSA-N 0 381.435 GE 2.151 0 Anodyne ref GEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(C)s2)c1 C=CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Br ZINC000002936892 93/64/67/208936467 DFGSCOONQSNIRI-UHFFFAOYSA-N 0 379.21 GE 2.448 0 Mild ref GEEARN C=CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Br CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N(C)C1=O ZINC000002958898 58/83/89/220588389 VHBXKKSQYDFXMN-UHFFFAOYSA-N -1 394.383 GE 2.398 0 Clean ref GECARM CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N(C)C1=O CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=O ZINC000002972689 59/12/00/220591200 WHVLAOFNLATLMU-UHFFFAOYSA-N -1 394.383 GE 2.398 0 Clean ref GECARM CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)O)c1 ZINC000002975175 32/12/63/570321263 AQZRGGQBZPNMJB-UHFFFAOYSA-N -1 381.388 GE 2.226 0 Clean ref GECARM Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 C#CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br ZINC000002975263 53/86/86/570538686 HFBWUHRJBQLCJC-UHFFFAOYSA-N 0 393.262 GE 2.06 0 Mild ref GEEARN C#CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002982363 32/24/40/570322440 GYTHIIOYUQWYCM-JASJWYONSA-N -1 380.356 GE 2.205 2 Clean low GECALM C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-] C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002982363 32/24/37/570322437 GYTHIIOYUQWYCM-JASJWYONSA-N -2 380.356 GE 2.205 0 Clean ref GECARL C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-] C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002982365 32/24/21/570322421 GYTHIIOYUQWYCM-PILJQMSFSA-N -1 380.356 GE 2.205 2 Clean low GECALM C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-] C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)O ZINC000002982365 32/24/18/570322418 GYTHIIOYUQWYCM-PILJQMSFSA-N -2 380.356 GE 2.205 0 Clean ref GECARL C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-] Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 ZINC000003659260 01/81/58/204018158 IJAVIVOYLXVADT-NVNXTCNLSA-N 0 379.372 GE 2.255 0 Anodyne ref GEAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000003659275 01/79/25/204017925 SFBCQXUHJHXBAX-LICLKQGHSA-N 0 384.363 GE 2.47 0 Anodyne ref GEAARN COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C ZINC000004090662 35/69/30/570356930 LLEOVZFATIMZBL-UHFFFAOYSA-N 0 395.415 GE 2.315 0 Clean ref GECARN COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C COc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000004364510 04/15/86/204041586 OHRKCEASUQPCMP-UHFFFAOYSA-N 0 385.332 GE 2.297 0 Clean ref GECARN COc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 COCc1cc(C)nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C#N ZINC000004384519 04/18/55/204041855 VUKUGANERWUWKX-UHFFFAOYSA-N 0 383.433 GE 2.308 0 Mild ref GEEARN COCc1cc(C)nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C#N CCOC(=O)c1cnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc1N ZINC000004414464 48/69/45/209486945 CJOCZWAHPDGRME-UHFFFAOYSA-N 0 390.509 GE 2.413 0 Anodyne ref GEAARN CCOC(=O)c1cnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc1N COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 ZINC000004456509 37/56/31/570375631 HTWCYUCFLQNYEI-ZSOIEALJSA-N 0 382.397 GE 2.255 1 Clean mid GECAMN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 ZINC000004456509 37/56/30/570375630 HTWCYUCFLQNYEI-ZSOIEALJSA-N -1 382.397 GE 2.255 0 Clean ref GECARM COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1 CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O ZINC000004457217 04/60/59/204046059 RJODRXOXSKAXOE-LFIBNONCSA-N 0 390.461 GE 2.431 0 Clean ref GECARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2 ZINC000004470363 37/62/29/570376229 HHLLOWQVGBNJEL-ZROIWOOFSA-N 0 384.388 GE 2.428 1 Clean mid GECAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2 O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2 ZINC000004470363 37/62/27/570376227 HHLLOWQVGBNJEL-ZROIWOOFSA-N -1 384.388 GE 2.428 0 Clean ref GECARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2