smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408897791 560651542 /nfs/dbraw/zinc/65/15/42/560651542.db2.gz UAZKSMRHAHXHMU-UHFFFAOYSA-N -1 1 414.845 3.294 40 10 HGCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408897791 560651544 /nfs/dbraw/zinc/65/15/44/560651544.db2.gz UAZKSMRHAHXHMU-UHFFFAOYSA-N -1 1 414.845 3.294 40 10 HGCBMM COCCN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N(c2ccccc2)C1=O ZINC000409009394 560665153 /nfs/dbraw/zinc/66/51/53/560665153.db2.gz FFEQBWQWBXQUIP-PTNGSMBKSA-N -1 1 400.818 3.071 40 10 HGCBMM CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[N-]C1=S ZINC000409391645 560718994 /nfs/dbraw/zinc/71/89/94/560718994.db2.gz KKBQNQVCXAOPOL-XYOKQWHBSA-N -1 1 405.819 3.155 40 10 HGCBMM CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)[N-]C1=S ZINC000409392878 560719276 /nfs/dbraw/zinc/71/92/76/560719276.db2.gz SSRLAAJBOVUDFA-OQLLNIDSSA-N -1 1 417.918 3.403 40 10 HGCBMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O ZINC000102731325 560731676 /nfs/dbraw/zinc/73/16/76/560731676.db2.gz QTHGDONZKVGCNF-RZUBCFFCSA-N -1 1 416.433 3.452 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408811308 560644035 /nfs/dbraw/zinc/64/40/35/560644035.db2.gz BEFAJEQRIORFIZ-UHFFFAOYSA-N -1 1 407.278 3.487 40 10 HGCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1F ZINC000408867168 560648554 /nfs/dbraw/zinc/64/85/54/560648554.db2.gz JEPBRYYFINQATL-UHFFFAOYSA-N -1 1 402.809 3.218 40 10 HGCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1F ZINC000408867168 560648555 /nfs/dbraw/zinc/64/85/55/560648555.db2.gz JEPBRYYFINQATL-UHFFFAOYSA-N -1 1 402.809 3.218 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408867365 560648569 /nfs/dbraw/zinc/64/85/69/560648569.db2.gz KORCVLGZXFRJIG-UHFFFAOYSA-N -1 1 406.438 3.472 40 10 HGCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408876749 560649448 /nfs/dbraw/zinc/64/94/48/560649448.db2.gz NELJOFMTRQFWPS-UHFFFAOYSA-N -1 1 405.237 3.342 40 10 HGCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408876749 560649449 /nfs/dbraw/zinc/64/94/49/560649449.db2.gz NELJOFMTRQFWPS-UHFFFAOYSA-N -1 1 405.237 3.342 40 10 HGCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000408923791 560654850 /nfs/dbraw/zinc/65/48/50/560654850.db2.gz KCLGFMXWRCMGDC-UHFFFAOYSA-N -1 1 414.845 3.376 40 10 HGCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000408923791 560654852 /nfs/dbraw/zinc/65/48/52/560654852.db2.gz KCLGFMXWRCMGDC-UHFFFAOYSA-N -1 1 414.845 3.376 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C(=O)N1 ZINC000409044392 560669280 /nfs/dbraw/zinc/66/92/80/560669280.db2.gz BTJGBFULRUKWAV-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C(=O)N1 ZINC000409044392 560669281 /nfs/dbraw/zinc/66/92/81/560669281.db2.gz BTJGBFULRUKWAV-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000409044820 560669309 /nfs/dbraw/zinc/66/93/09/560669309.db2.gz DLKJCZRJQAHVOA-LFYBBSHMSA-N -1 1 422.180 3.274 40 10 HGCBMM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1 ZINC000059305941 568705074 /nfs/dbraw/zinc/70/50/74/568705074.db2.gz UXMCVUGDXBESFC-UHFFFAOYSA-N -1 1 415.243 3.086 40 10 HGCBMM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1 ZINC000059305941 568705078 /nfs/dbraw/zinc/70/50/78/568705078.db2.gz UXMCVUGDXBESFC-UHFFFAOYSA-N -1 1 415.243 3.086 40 10 HGCBMM O=C([O-])c1cccc(COc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)c1 ZINC000107667038 569360915 /nfs/dbraw/zinc/36/09/15/569360915.db2.gz VAIZMQGJRKPJMM-STZFKDTASA-N -1 1 414.417 3.425 40 10 HGCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408805623 560643338 /nfs/dbraw/zinc/64/33/38/560643338.db2.gz BCJMBHBDUMOECH-UHFFFAOYSA-N -1 1 414.845 3.376 40 10 HGCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408805623 560643340 /nfs/dbraw/zinc/64/33/40/560643340.db2.gz BCJMBHBDUMOECH-UHFFFAOYSA-N -1 1 414.845 3.376 40 10 HGCBMM CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S ZINC000409392748 560719303 /nfs/dbraw/zinc/71/93/03/560719303.db2.gz RPRYFQCYQZOQTM-XYOKQWHBSA-N -1 1 405.819 3.155 40 10 HGCBMM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc21 ZINC000223264628 568543367 /nfs/dbraw/zinc/54/33/67/568543367.db2.gz BDFXDWAJQGQNGP-UHFFFAOYSA-N -1 1 422.462 3.419 40 10 HGCBMM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O ZINC000018020595 569383016 /nfs/dbraw/zinc/38/30/16/569383016.db2.gz QTHGDONZKVGCNF-ONTIZHBOSA-N -1 1 416.433 3.452 40 10 HGCBMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O ZINC000101057769 558825976 /nfs/dbraw/zinc/82/59/76/558825976.db2.gz QTHGDONZKVGCNF-URVUXULASA-N -1 1 416.433 3.452 40 10 HGCBMM Cc1cc(C)cc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)c1 ZINC000408881712 560649851 /nfs/dbraw/zinc/64/98/51/560649851.db2.gz LWCKSVMTGLCQQM-UHFFFAOYSA-N -1 1 400.887 3.450 40 10 HGCBMM O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000101348568 560728594 /nfs/dbraw/zinc/72/85/94/560728594.db2.gz SJOIPGHKUZDCPC-STZFKDTASA-N -1 1 414.417 3.425 40 10 HGCBMM COc1ccc(N2CCN(c3nc(C)c(Cc4ccccc4C)c(=O)[n-]3)CC2)cc1 ZINC000007496499 560751259 /nfs/dbraw/zinc/75/12/59/560751259.db2.gz GAAVUJFVDNMOEI-UHFFFAOYSA-N -1 1 404.514 3.313 40 10 HGCBMM CCOC(=O)[C@@H](C)n1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000033387113 569360203 /nfs/dbraw/zinc/36/02/03/569360203.db2.gz MJHFCVKKVABRSY-JPVKTXQWSA-N -1 1 403.438 3.227 40 10 HGCBMM COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000211963716 569361757 /nfs/dbraw/zinc/36/17/57/569361757.db2.gz QYSHFKHXNYXPCW-MHWRWJLKSA-N -1 1 400.481 3.202 40 10 HGCBMM CCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1ccccc1Cl ZINC000408737488 557799856 /nfs/dbraw/zinc/79/98/56/557799856.db2.gz SGYLRPRWPIBQIB-UHFFFAOYSA-N -1 1 416.886 3.232 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1Cc1ccccc1Cl ZINC000408867600 560648560 /nfs/dbraw/zinc/64/85/60/560648560.db2.gz LUIYXOJDJHUBHT-UHFFFAOYSA-N -1 1 400.887 3.244 40 10 HGCBMM CC(C)OC(=O)Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000016575510 560860987 /nfs/dbraw/zinc/86/09/87/560860987.db2.gz VVPPSTWLJMCWTO-UNOMPAQXSA-N -1 1 403.438 3.054 40 10 HGCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000033746563 569360493 /nfs/dbraw/zinc/36/04/93/569360493.db2.gz XBEMNKANMOYWRN-ODLFYWEKSA-N -1 1 401.422 3.284 40 10 HGCBMM CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409195135 560690104 /nfs/dbraw/zinc/69/01/04/560690104.db2.gz RLUQNCXCEUENJJ-HTMJNSLASA-N -1 1 424.478 3.393 40 10 HGCBMM COc1ccc(NC(=O)COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000015055985 560852321 /nfs/dbraw/zinc/85/23/21/560852321.db2.gz VZINCCBIVBPNKW-YBEGLDIGSA-N -1 1 400.481 3.202 40 10 HGCBMM COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2C)cc1 ZINC000033633352 569360213 /nfs/dbraw/zinc/36/02/13/569360213.db2.gz URXQRIOJDLJANG-STZFKDTASA-N -1 1 415.449 3.342 40 10 HGCBMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1OCC ZINC000408585355 557488671 /nfs/dbraw/zinc/48/86/71/557488671.db2.gz FLHYSVFKXNRGQU-UHFFFAOYSA-N -1 1 408.432 3.183 40 10 HGCBMM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/NC(=S)[N-]C3=O)c1C)CCCC2 ZINC000408785102 560641378 /nfs/dbraw/zinc/64/13/78/560641378.db2.gz XORIIEPDLDAPKE-NTEUORMPSA-N -1 1 415.540 3.166 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408865320 560648371 /nfs/dbraw/zinc/64/83/71/560648371.db2.gz BSVFVDHNDKLSPL-UHFFFAOYSA-N -1 1 418.877 3.383 40 10 HGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409146536 560684764 /nfs/dbraw/zinc/68/47/64/560684764.db2.gz UNMDHOIRFBEWJK-DHDCSXOGSA-N -1 1 418.316 3.113 40 10 HGCBMM CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)[N-]C1=S ZINC000006517618 560744005 /nfs/dbraw/zinc/74/40/05/560744005.db2.gz ZKHOZVOQKYLRTL-GZTJUZNOSA-N -1 1 407.470 3.475 40 10 HGCBMM COC(=O)[C@@H](C)n1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000107745795 569361128 /nfs/dbraw/zinc/36/11/28/569361128.db2.gz QHYYYNGRIHEKSZ-JPVKTXQWSA-N -1 1 403.438 3.145 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408868315 560648724 /nfs/dbraw/zinc/64/87/24/560648724.db2.gz POUWSCLCRKPZGU-UHFFFAOYSA-N -1 1 410.495 3.195 40 10 HGCBMM COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCc1cccc2ccccc21 ZINC000408880378 560649368 /nfs/dbraw/zinc/64/93/68/560649368.db2.gz JOUHLWGKJWGKBZ-UHFFFAOYSA-N -1 1 418.474 3.342 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2Cc2ccccc2Br)C(=O)N1 ZINC000408883253 560649976 /nfs/dbraw/zinc/64/99/76/560649976.db2.gz OVXVSNKMEHVJAF-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2Br)C(=O)N1 ZINC000408883253 560649977 /nfs/dbraw/zinc/64/99/77/560649977.db2.gz OVXVSNKMEHVJAF-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 ZINC000012120693 558330572 /nfs/dbraw/zinc/33/05/72/558330572.db2.gz VBFZFYBKCRNSAS-UHFFFAOYSA-N -1 1 405.477 3.130 40 10 HGCBMM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409195138 560690102 /nfs/dbraw/zinc/69/01/02/560690102.db2.gz RLUQNCXCEUENJJ-RNEAKCBISA-N -1 1 424.478 3.393 40 10 HGCBMM O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000409244035 560702972 /nfs/dbraw/zinc/70/29/72/560702972.db2.gz WOZSAXSPIHHHRF-QGOAFFKASA-N -1 1 417.446 3.007 40 10 HGCBMM CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000409389873 560720648 /nfs/dbraw/zinc/72/06/48/560720648.db2.gz AVQGFCMRDKKYEO-FLIBITNWSA-N -1 1 405.819 3.155 40 10 HGCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)[nH]1 ZINC000017021133 558812047 /nfs/dbraw/zinc/81/20/47/558812047.db2.gz LEARIZDNZMQESK-FMQUCBEESA-N -1 1 423.505 3.159 40 10 HGCBMM CCN(CC)c1ccc(CN2CCc3c(nc(-c4ccccn4)[n-]c3=O)C2)c(OC)c1 ZINC000072336792 558937459 /nfs/dbraw/zinc/93/74/59/558937459.db2.gz LVXVHNVFSORXBY-UHFFFAOYSA-N -1 1 419.529 3.245 40 10 HGCBMM O=C1C(CN2CCOCC2)=CC(=NNc2ccccc2)C([O-])=C1CN1CCOCC1 ZINC000104085373 559157695 /nfs/dbraw/zinc/15/76/95/559157695.db2.gz IMXTUESDHJSGRL-VHXPQNKSSA-N -1 1 412.490 3.178 40 10 HGCBMM CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408871694 560649002 /nfs/dbraw/zinc/64/90/02/560649002.db2.gz ZDNBKZALSJUTAN-UHFFFAOYSA-N -1 1 402.809 3.218 40 10 HGCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408871694 560649003 /nfs/dbraw/zinc/64/90/03/560649003.db2.gz ZDNBKZALSJUTAN-UHFFFAOYSA-N -1 1 402.809 3.218 40 10 HGCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408871694 560649004 /nfs/dbraw/zinc/64/90/04/560649004.db2.gz ZDNBKZALSJUTAN-UHFFFAOYSA-N -1 1 402.809 3.218 40 10 HGCBMM Cc1cc(C)cc(COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000408879619 560649384 /nfs/dbraw/zinc/64/93/84/560649384.db2.gz HFFHLQRSMBTZNF-UHFFFAOYSA-N -1 1 400.887 3.450 40 10 HGCBMM CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000409192904 560689726 /nfs/dbraw/zinc/68/97/26/560689726.db2.gz GVMSDNLCXBUUOQ-VLURKWGBSA-N -1 1 424.478 3.393 40 10 HGCBMM CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000224073708 568568581 /nfs/dbraw/zinc/56/85/81/568568581.db2.gz QHEBMQDNCKJGEA-UHFFFAOYSA-N -1 1 409.511 3.483 40 10 HGCBMM Cc1c(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc2n1CCOc1cccc(C)c1 ZINC000041077960 525689217 /nfs/dbraw/zinc/68/92/17/525689217.db2.gz LUIHYVVVSGQOSF-UHFFFAOYSA-N -1 1 419.506 3.251 40 10 HGCBMM O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000409113101 560678254 /nfs/dbraw/zinc/67/82/54/560678254.db2.gz GLWWLVJFFRQBPA-QGOAFFKASA-N -1 1 417.446 3.007 40 10 HGCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1C(C)C ZINC000409195955 560690363 /nfs/dbraw/zinc/69/03/63/560690363.db2.gz XFQLFNORLHIQRC-LICLKQGHSA-N -1 1 411.483 3.215 40 10 HGCBMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000014903967 560851125 /nfs/dbraw/zinc/85/11/25/560851125.db2.gz XSJBNYTXHBQJNS-MHWRWJLKSA-N -1 1 400.481 3.202 40 10 HGCBMM CNS(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000408527988 557286196 /nfs/dbraw/zinc/28/61/96/557286196.db2.gz DTQCSJQBETVBPX-BOPFTXTBSA-N -1 1 418.906 3.275 40 10 HGCBMM CN(C)c1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000015134919 558724704 /nfs/dbraw/zinc/72/47/04/558724704.db2.gz LQGNTUCKBMMQLV-UHFFFAOYSA-N -1 1 409.511 3.483 40 10 HGCBMM Cc1ccccc1C(=O)Oc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)NC1=O ZINC000256055378 568774800 /nfs/dbraw/zinc/77/48/00/568774800.db2.gz DUMBVLWZCOTZFW-UHFFFAOYSA-N -1 1 416.458 3.282 40 10 HGCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)[nH]1 ZINC000104090681 559157900 /nfs/dbraw/zinc/15/79/00/559157900.db2.gz LEARIZDNZMQESK-VXPUYCOJSA-N -1 1 423.505 3.159 40 10 HGCBMM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000408805478 560643403 /nfs/dbraw/zinc/64/34/03/560643403.db2.gz KKQANTUKCIJJOM-UHFFFAOYSA-N -1 1 415.243 3.086 40 10 HGCBMM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000408805478 560643405 /nfs/dbraw/zinc/64/34/05/560643405.db2.gz KKQANTUKCIJJOM-UHFFFAOYSA-N -1 1 415.243 3.086 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1cccc(F)c1 ZINC000408880768 560649887 /nfs/dbraw/zinc/64/98/87/560649887.db2.gz HFFZWHGVZINEJO-UHFFFAOYSA-N -1 1 419.275 3.093 40 10 HGCBMM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)o2)c(Br)c1 ZINC000015225513 560854143 /nfs/dbraw/zinc/85/41/43/560854143.db2.gz WXESKYVVTORGIJ-WQLSENKSSA-N -1 1 405.273 3.274 40 10 HGCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000059426472 568706316 /nfs/dbraw/zinc/70/63/16/568706316.db2.gz YEXWUGGXIOMVKE-UHFFFAOYSA-N -1 1 418.474 3.342 40 10 HGCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(=O)[nH]1 ZINC000017021148 558812006 /nfs/dbraw/zinc/81/20/06/558812006.db2.gz UXQFJFOXPXQOSD-QURGRASLSA-N -1 1 417.476 3.098 40 10 HGCBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2cccc3ccccc32)c1 ZINC000408869271 560648783 /nfs/dbraw/zinc/64/87/83/560648783.db2.gz QHARPHPJTNKHDS-UHFFFAOYSA-N -1 1 418.474 3.342 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)c(Sc2ccccc2)o1 ZINC000408998766 560663493 /nfs/dbraw/zinc/66/34/93/560663493.db2.gz SCYJYOPIACCJHT-UHFFFAOYSA-N -1 1 409.286 3.108 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2F)C(=O)N1 ZINC000409048585 560669817 /nfs/dbraw/zinc/66/98/17/560669817.db2.gz SJDBTUGHEZOXSX-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)C(=O)N1 ZINC000409048585 560669820 /nfs/dbraw/zinc/66/98/20/560669820.db2.gz SJDBTUGHEZOXSX-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(I)cc1 ZINC000015769319 560856115 /nfs/dbraw/zinc/85/61/15/560856115.db2.gz KEMGIWCGQZDTFA-RIYZIHGNSA-N -1 1 423.279 3.044 40 10 HGCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059535568 568709004 /nfs/dbraw/zinc/70/90/04/568709004.db2.gz DPAFNCAQNIVZKY-UHFFFAOYSA-N -1 1 418.808 3.206 40 10 HGCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059535568 568709006 /nfs/dbraw/zinc/70/90/06/568709006.db2.gz DPAFNCAQNIVZKY-UHFFFAOYSA-N -1 1 418.808 3.206 40 10 HGCBMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(Br)c1O ZINC000005681287 557668571 /nfs/dbraw/zinc/66/85/71/557668571.db2.gz JDFBHRBGWUHWSQ-UHFFFAOYSA-N -1 1 401.238 3.481 40 10 HGCBMM O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000408761718 559276244 /nfs/dbraw/zinc/27/62/44/559276244.db2.gz GXXMBQOQGOTJPQ-UHFFFAOYSA-N -1 1 421.261 3.127 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Cc2cccc(F)c2)c(Br)c1 ZINC000408868847 560648691 /nfs/dbraw/zinc/64/86/91/560648691.db2.gz QEXFXOUVWMIXHS-UHFFFAOYSA-N -1 1 419.275 3.093 40 10 HGCBMM COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408908840 560652866 /nfs/dbraw/zinc/65/28/66/560652866.db2.gz DLGGWDQLHGNFDS-RIYZIHGNSA-N -1 1 416.886 3.184 40 10 HGCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409195494 560690228 /nfs/dbraw/zinc/69/02/28/560690228.db2.gz VSCYEHAHIAMDMG-QGOAFFKASA-N -1 1 417.446 3.007 40 10 HGCBMM O=C([O-])c1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 ZINC000107824015 569361123 /nfs/dbraw/zinc/36/11/23/569361123.db2.gz MOIYSMIZJRNSMT-STZFKDTASA-N -1 1 414.417 3.425 40 10 HGCBMM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1 ZINC000013996912 559132617 /nfs/dbraw/zinc/13/26/17/559132617.db2.gz YQTNHBGEUPDMCI-UHFFFAOYSA-N -1 1 418.452 3.205 40 10 HGCBMM Cc1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1C ZINC000408872419 560649087 /nfs/dbraw/zinc/64/90/87/560649087.db2.gz MYGGXCYDDLWBIP-UHFFFAOYSA-N -1 1 400.887 3.450 40 10 HGCBMM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1 ZINC000408881412 560649919 /nfs/dbraw/zinc/64/99/19/560649919.db2.gz MELVZACMBDJXLR-UHFFFAOYSA-N -1 1 413.271 3.406 40 10 HGCBMM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1 ZINC000408881412 560649921 /nfs/dbraw/zinc/64/99/21/560649921.db2.gz MELVZACMBDJXLR-UHFFFAOYSA-N -1 1 413.271 3.406 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408883130 560649993 /nfs/dbraw/zinc/64/99/93/560649993.db2.gz SXUKKZJMGARMCN-UHFFFAOYSA-N -1 1 406.438 3.472 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1 ZINC000409048814 560669791 /nfs/dbraw/zinc/66/97/91/560669791.db2.gz UDZDKEYIDUHZBL-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1 ZINC000409048814 560669792 /nfs/dbraw/zinc/66/97/92/560669792.db2.gz UDZDKEYIDUHZBL-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409206480 560691125 /nfs/dbraw/zinc/69/11/25/560691125.db2.gz OUCHPCOVJWQNCR-UNOMPAQXSA-N -1 1 421.453 3.197 40 10 HGCBMM CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc1Br ZINC000409393457 560719392 /nfs/dbraw/zinc/71/93/92/560719392.db2.gz XLRXKJCKVRXUHQ-ZDIKFAODSA-N -1 1 411.321 3.273 40 10 HGCBMM CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(=O)[N-]C1=S ZINC000033939588 568698567 /nfs/dbraw/zinc/69/85/67/568698567.db2.gz YYVPHAIICHYQRH-ATVHPVEESA-N -1 1 424.526 3.141 40 10 HGCBMM CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)C(=O)[N-]C1=S ZINC000059182276 568702159 /nfs/dbraw/zinc/70/21/59/568702159.db2.gz FPTKTJVZIIJCOW-SFQUDFHCSA-N -1 1 424.526 3.141 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408868460 560648718 /nfs/dbraw/zinc/64/87/18/560648718.db2.gz OKUNUXJTLIFFBK-UHFFFAOYSA-N -1 1 407.278 3.487 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2F)c(Br)c1 ZINC000408873144 560649125 /nfs/dbraw/zinc/64/91/25/560649125.db2.gz NOTNTHBKLYJJGG-UHFFFAOYSA-N -1 1 419.275 3.093 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1 ZINC000409044156 560669287 /nfs/dbraw/zinc/66/92/87/560669287.db2.gz BBEQEPBEDSDLBC-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1 ZINC000409044156 560669289 /nfs/dbraw/zinc/66/92/89/560669289.db2.gz BBEQEPBEDSDLBC-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C(=O)N1 ZINC000409046243 560669407 /nfs/dbraw/zinc/66/94/07/560669407.db2.gz JSEAJPFLBUMAJA-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C(=O)N1 ZINC000409046243 560669409 /nfs/dbraw/zinc/66/94/09/560669409.db2.gz JSEAJPFLBUMAJA-UHFFFAOYSA-N -1 1 409.200 3.461 40 10 HGCBMM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000408526244 557287575 /nfs/dbraw/zinc/28/75/75/557287575.db2.gz ALYWZTAQEWEJBR-QNGOZBTKSA-N -1 1 404.470 3.186 40 10 HGCBMM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 ZINC000009323976 557837220 /nfs/dbraw/zinc/83/72/20/557837220.db2.gz HVLMQQSNZPCMEK-YVLHZVERSA-N -1 1 420.377 3.208 40 10 HGCBMM Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000408876752 560649492 /nfs/dbraw/zinc/64/94/92/560649492.db2.gz NFCNEQRAAACKNF-UHFFFAOYSA-N -1 1 413.271 3.406 40 10 HGCBMM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000408876752 560649493 /nfs/dbraw/zinc/64/94/93/560649493.db2.gz NFCNEQRAAACKNF-UHFFFAOYSA-N -1 1 413.271 3.406 40 10 HGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408914491 560653803 /nfs/dbraw/zinc/65/38/03/560653803.db2.gz QANMYHILLXDNMY-OVCLIPMQSA-N -1 1 418.316 3.113 40 10 HGCBMM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1 ZINC000408804563 560643220 /nfs/dbraw/zinc/64/32/20/560643220.db2.gz AWGXNVAJBFSXBD-UHFFFAOYSA-N -1 1 415.243 3.086 40 10 HGCBMM Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1 ZINC000408804563 560643222 /nfs/dbraw/zinc/64/32/22/560643222.db2.gz AWGXNVAJBFSXBD-UHFFFAOYSA-N -1 1 415.243 3.086 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408875360 560649254 /nfs/dbraw/zinc/64/92/54/560649254.db2.gz DUGUAZJGIABWPG-UHFFFAOYSA-N -1 1 407.278 3.487 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408887649 560650274 /nfs/dbraw/zinc/65/02/74/560650274.db2.gz SDHPWWNDOQIOAR-UHFFFAOYSA-N -1 1 406.438 3.472 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408888060 560650402 /nfs/dbraw/zinc/65/04/02/560650402.db2.gz WGKCYIAUOYNREV-UHFFFAOYSA-N -1 1 410.495 3.195 40 10 HGCBMM CCCCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000408538977 557359432 /nfs/dbraw/zinc/35/94/32/557359432.db2.gz SHKSMGGDSBVDKN-UHFFFAOYSA-N -1 1 411.321 3.323 40 10 HGCBMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888960 560650197 /nfs/dbraw/zinc/65/01/97/560650197.db2.gz ABMWTYGUSHIJST-YBEGLDIGSA-N -1 1 421.521 3.260 40 10 HGCBMM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000408956836 560657839 /nfs/dbraw/zinc/65/78/39/560657839.db2.gz YRDWVHJOBVEVHL-NYYWCZLTSA-N -1 1 421.192 3.094 40 10 HGCBMM CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409191228 560689390 /nfs/dbraw/zinc/68/93/90/560689390.db2.gz DTTGEOOYGMZPRE-AQTBWJFISA-N -1 1 423.494 3.062 40 10 HGCBMM CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000409192902 560689710 /nfs/dbraw/zinc/68/97/10/560689710.db2.gz GVMSDNLCXBUUOQ-LVLBFHFTSA-N -1 1 424.478 3.393 40 10 HGCBMM COC(=O)[C@H](C)n1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000107745785 569361064 /nfs/dbraw/zinc/36/10/64/569361064.db2.gz QHYYYNGRIHEKSZ-CCNLRRDASA-N -1 1 403.438 3.145 40 10 HGCBMM O=C([O-])c1ccc(COc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000107893745 569361102 /nfs/dbraw/zinc/36/11/02/569361102.db2.gz CEXDFGTUDFXXIA-ZHZULCJRSA-N -1 1 414.417 3.425 40 10 HGCBMM CN(C)c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000021935482 558456171 /nfs/dbraw/zinc/45/61/71/558456171.db2.gz VRBWVFWYQSMOTJ-UHFFFAOYSA-N -1 1 409.511 3.483 40 10 HGCBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1cccc2ccccc21 ZINC000408891274 560650296 /nfs/dbraw/zinc/65/02/96/560650296.db2.gz NXBMIFOTENSJBN-UHFFFAOYSA-N -1 1 418.474 3.342 40 10 HGCBMM CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409191334 560689381 /nfs/dbraw/zinc/68/93/81/560689381.db2.gz VWQZBLOGHHVSGT-GZTJUZNOSA-N -1 1 410.451 3.003 40 10 HGCBMM CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1 ZINC000409192512 560689649 /nfs/dbraw/zinc/68/96/49/560689649.db2.gz DNWVHBREBMODJV-UHFFFAOYSA-N -1 1 418.858 3.080 40 10 HGCBMM CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000006630141 560744609 /nfs/dbraw/zinc/74/46/09/560744609.db2.gz GFZYHKXZPVOBDZ-WOJGMQOQSA-N -1 1 407.470 3.475 40 10 HGCBMM COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408810469 560644012 /nfs/dbraw/zinc/64/40/12/560644012.db2.gz JWWLLYXEEDNIHH-UHFFFAOYSA-N -1 1 421.236 3.330 40 10 HGCBMM COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408810469 560644013 /nfs/dbraw/zinc/64/40/13/560644013.db2.gz JWWLLYXEEDNIHH-UHFFFAOYSA-N -1 1 421.236 3.330 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000408878633 560649584 /nfs/dbraw/zinc/64/95/84/560649584.db2.gz CKTFWYOSRMJQTP-UHFFFAOYSA-N -1 1 407.278 3.487 40 10 HGCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000409190046 560689071 /nfs/dbraw/zinc/68/90/71/560689071.db2.gz VGIPUUQDIBLCIP-SFQUDFHCSA-N -1 1 418.430 3.476 40 10 HGCBMM C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)ccc21 ZINC000409195297 560690212 /nfs/dbraw/zinc/69/02/12/560690212.db2.gz UAOJMAZROOQNKV-LVLBFHFTSA-N -1 1 419.462 3.118 40 10 HGCBMM Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000409203759 560693781 /nfs/dbraw/zinc/69/37/81/560693781.db2.gz YRJRYWCNESBVLZ-MHWRWJLKSA-N -1 1 412.492 3.279 40 10 HGCBMM O=C([O-])c1cccc(COc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000108241638 569361222 /nfs/dbraw/zinc/36/12/22/569361222.db2.gz OXKPBBBPFJDZCY-ZHZULCJRSA-N -1 1 414.417 3.425 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1ccccc1F ZINC000408867320 560648539 /nfs/dbraw/zinc/64/85/39/560648539.db2.gz IEPBRNUEHMAZIH-UHFFFAOYSA-N -1 1 419.275 3.093 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccccc1F ZINC000408908700 560652800 /nfs/dbraw/zinc/65/28/00/560652800.db2.gz CUZZMFDSCPXSQE-XNTDXEJSSA-N -1 1 414.458 3.060 40 10 HGCBMM C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)ccc21 ZINC000409195300 560690193 /nfs/dbraw/zinc/69/01/93/560690193.db2.gz UAOJMAZROOQNKV-VLURKWGBSA-N -1 1 419.462 3.118 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1cccc(Cl)c1 ZINC000408867911 560648576 /nfs/dbraw/zinc/64/85/76/560648576.db2.gz KPJPNTBLFJLQTC-UHFFFAOYSA-N -1 1 416.886 3.232 40 10 HGCBMM COc1ccc(C(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000019720097 560875676 /nfs/dbraw/zinc/87/56/76/560875676.db2.gz RRAJUDDTJCNOPQ-YBEGLDIGSA-N -1 1 401.465 3.412 40 10 HGCBMM COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2C)c1 ZINC000033390115 569360192 /nfs/dbraw/zinc/36/01/92/569360192.db2.gz QCJSQZGSGXBOLW-STZFKDTASA-N -1 1 415.449 3.342 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2ccc(Cc3ccccc3Cl)c(Br)c2)C(=O)N1 ZINC000408876806 560649452 /nfs/dbraw/zinc/64/94/52/560649452.db2.gz NZRQJWRTUDJWSF-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)C(=O)N1 ZINC000408876806 560649453 /nfs/dbraw/zinc/64/94/53/560649453.db2.gz NZRQJWRTUDJWSF-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM COc1cccc(C=C2SC(=S)[N-]C2=O)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408887917 560650419 /nfs/dbraw/zinc/65/04/19/560650419.db2.gz UVOPBUPIPUSVSH-GDNBJRDFSA-N -1 1 421.521 3.260 40 10 HGCBMM CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc1Br ZINC000409393455 560719417 /nfs/dbraw/zinc/71/94/17/560719417.db2.gz XLRXKJCKVRXUHQ-MJWAUXSNSA-N -1 1 411.321 3.273 40 10 HGCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000013424258 560811238 /nfs/dbraw/zinc/81/12/38/560811238.db2.gz UPHXAAMGYWSSMT-WJDWOHSUSA-N -1 1 421.521 3.342 40 10 HGCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC#N)cc1 ZINC000033482523 569360229 /nfs/dbraw/zinc/36/02/29/569360229.db2.gz VNXAXWOWPAOAJL-JCMHNJIXSA-N -1 1 412.449 3.458 40 10 HGCBMM Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)OC(C)C ZINC000107745737 569361043 /nfs/dbraw/zinc/36/10/43/569361043.db2.gz VZKQSCGNIQOFLI-MOSHPQCFSA-N -1 1 417.465 3.363 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2ccc(Cc3ccccc3Br)c(Cl)c2)C(=O)N1 ZINC000408873011 560649118 /nfs/dbraw/zinc/64/91/18/560649118.db2.gz QSJCIGXCTRTFQD-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)C(=O)N1 ZINC000408873011 560649119 /nfs/dbraw/zinc/64/91/19/560649119.db2.gz QSJCIGXCTRTFQD-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Cc1ccccc1F ZINC000408877475 560649444 /nfs/dbraw/zinc/64/94/44/560649444.db2.gz WDCJRBHNFCENFM-UHFFFAOYSA-N -1 1 418.877 3.383 40 10 HGCBMM O=C(Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl)c1ccccc1 ZINC000408889874 560650190 /nfs/dbraw/zinc/65/01/90/560650190.db2.gz KFQQYBVCLZRVGV-UHFFFAOYSA-N -1 1 421.261 3.127 40 10 HGCBMM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)cc1 ZINC000409047150 560669612 /nfs/dbraw/zinc/66/96/12/560669612.db2.gz NAVUYLJJQVLKHL-NTUHNPAUSA-N -1 1 407.209 3.374 40 10 HGCBMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000059134992 568701109 /nfs/dbraw/zinc/70/11/09/568701109.db2.gz DPSNMXHESXXLHI-KTZOAPACSA-N -1 1 406.373 3.214 40 10 HGCBMM Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1C ZINC000408872879 560649057 /nfs/dbraw/zinc/64/90/57/560649057.db2.gz KPBKKIJSIPROMP-UHFFFAOYSA-N -1 1 400.887 3.450 40 10 HGCBMM COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000408913528 560653308 /nfs/dbraw/zinc/65/33/08/560653308.db2.gz LOOBLSLNGYMHRM-NTEUORMPSA-N -1 1 416.886 3.184 40 10 HGCBMM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000409049080 560669849 /nfs/dbraw/zinc/66/98/49/560669849.db2.gz VZUFZDJVGBKKLR-WUXMJOGZSA-N -1 1 422.180 3.274 40 10 HGCBMM CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000409195550 560690271 /nfs/dbraw/zinc/69/02/71/560690271.db2.gz WIFDSMRLLLZIRQ-GZTJUZNOSA-N -1 1 419.462 3.191 40 10 HGCBMM CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000409189509 560690995 /nfs/dbraw/zinc/69/09/95/560690995.db2.gz PXAFOORCOKRLKJ-LFIBNONCSA-N -1 1 410.451 3.003 40 10 HGCBMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012412695 558401202 /nfs/dbraw/zinc/40/12/02/558401202.db2.gz IQDMZUKRJXVFQP-PDGQHHTCSA-N -1 1 418.906 3.309 40 10 HGCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408804543 560643272 /nfs/dbraw/zinc/64/32/72/560643272.db2.gz YFKHANXQHNYDIJ-UHFFFAOYSA-N -1 1 421.236 3.330 40 10 HGCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408804543 560643274 /nfs/dbraw/zinc/64/32/74/560643274.db2.gz YFKHANXQHNYDIJ-UHFFFAOYSA-N -1 1 421.236 3.330 40 10 HGCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408867342 560648548 /nfs/dbraw/zinc/64/85/48/560648548.db2.gz JSBDSLUGGZAFOQ-UHFFFAOYSA-N -1 1 414.914 3.471 40 10 HGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408872751 560649099 /nfs/dbraw/zinc/64/90/99/560649099.db2.gz IEBXWYIKKZFSGF-UHFFFAOYSA-N -1 1 407.278 3.487 40 10 HGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2Cc2ccccc2Cl)C(=O)N1 ZINC000408876933 560649478 /nfs/dbraw/zinc/64/94/78/560649478.db2.gz RCWJTHKQWGDFGY-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2Cc2ccccc2Cl)C(=O)N1 ZINC000408876933 560649479 /nfs/dbraw/zinc/64/94/79/560649479.db2.gz RCWJTHKQWGDFGY-UHFFFAOYSA-N -1 1 419.662 3.443 40 10 HGCBMM CN1C(=O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)[N-]C1=S ZINC000409139275 560683156 /nfs/dbraw/zinc/68/31/56/560683156.db2.gz BRLBJEDUPQZQTQ-VBKFSLOCSA-N -1 1 423.469 3.116 40 10 HGCBMM O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1 ZINC000033700536 569360299 /nfs/dbraw/zinc/36/02/99/569360299.db2.gz UPQZMHKZIHWHOY-STZFKDTASA-N -1 1 414.417 3.425 40 10 HGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408913164 560653534 /nfs/dbraw/zinc/65/35/34/560653534.db2.gz SWFGZVGWKJHFEQ-GZTJUZNOSA-N -1 1 410.495 3.229 40 10 HGCBMM COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408914426 560653748 /nfs/dbraw/zinc/65/37/48/560653748.db2.gz PTTVEKROQGMMJB-OQLLNIDSSA-N -1 1 416.886 3.184 40 10 HGCBMM CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2C)cc1 ZINC000033803268 569360479 /nfs/dbraw/zinc/36/04/79/569360479.db2.gz LYANWQANAOOILX-HMAPJEAMSA-N -1 1 415.449 3.481 40 10 HGCBMM O=C1C(CN2CCOCC2)=CC(=NNc2ccccc2)C([O-])=C1CN1CCOCC1 ZINC000004991092 557622122 /nfs/dbraw/zinc/62/21/22/557622122.db2.gz IMXTUESDHJSGRL-WCWDXBQESA-N -1 1 412.490 3.178 40 10 HGCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(=O)[nH]1 ZINC000104090714 559157959 /nfs/dbraw/zinc/15/79/59/559157959.db2.gz UXQFJFOXPXQOSD-DQRAZIAOSA-N -1 1 417.476 3.098 40 10 HGCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408798475 560642018 /nfs/dbraw/zinc/64/20/18/560642018.db2.gz FLPONNXYOLIVNP-UHFFFAOYSA-N -1 1 414.845 3.294 40 10 HGCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408798475 560642020 /nfs/dbraw/zinc/64/20/20/560642020.db2.gz FLPONNXYOLIVNP-UHFFFAOYSA-N -1 1 414.845 3.294 40 10 HGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccccc1Br ZINC000408917592 560653509 /nfs/dbraw/zinc/65/35/09/560653509.db2.gz XZKWKECFXDIVRI-UKTHLTGXSA-N -1 1 418.316 3.113 40 10 HGCBMM COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000058823415 568699704 /nfs/dbraw/zinc/69/97/04/568699704.db2.gz GBCBJXIJBTUONL-UHFFFAOYSA-N -1 1 416.842 3.322 40 10 HGCBMM COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000058823415 568699705 /nfs/dbraw/zinc/69/97/05/568699705.db2.gz GBCBJXIJBTUONL-UHFFFAOYSA-N -1 1 416.842 3.322 40 10 HGCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000058823415 568699706 /nfs/dbraw/zinc/69/97/06/568699706.db2.gz GBCBJXIJBTUONL-UHFFFAOYSA-N -1 1 416.842 3.322 40 10 HGCBMM COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000002795203 568932230 /nfs/dbraw/zinc/93/22/30/568932230.db2.gz UZPOUQQCCHOPNO-UHFFFAOYSA-N -1 1 416.842 3.322 40 10 HGCBMM COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000002795203 568932232 /nfs/dbraw/zinc/93/22/32/568932232.db2.gz UZPOUQQCCHOPNO-UHFFFAOYSA-N -1 1 416.842 3.322 40 10 HGCBMM COc1ccc(C(=O)Oc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000002795203 568932233 /nfs/dbraw/zinc/93/22/33/568932233.db2.gz UZPOUQQCCHOPNO-UHFFFAOYSA-N -1 1 416.842 3.322 40 10 HGCBMM CCOC(=O)[C@H](C)n1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000033387114 569360223 /nfs/dbraw/zinc/36/02/23/569360223.db2.gz MJHFCVKKVABRSY-CCNLRRDASA-N -1 1 403.438 3.227 40 10 HGCBMM