smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cc(S(=O)(=O)c2ccccc2)c([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000001682805 551689418 /nfs/dbraw/zinc/68/94/18/551689418.db2.gz DDSZSTUPXTWDFK-UHFFFAOYSA-N -2 3 563.078 4.774 40 10 KJCBHL O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1 ZINC000003076600 552285312 /nfs/dbraw/zinc/28/53/12/552285312.db2.gz BAPBCXSDEZVPTP-UHFFFAOYSA-N -2 3 546.262 4.813 40 10 KJCBHL Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c3c2C(=O)c2cccc([O-])c2C3=O)c(S(=O)(=O)[O-])c1 ZINC000004706998 552472236 /nfs/dbraw/zinc/47/22/36/552472236.db2.gz QNCHUVVZYAZOHD-UHFFFAOYSA-N -3 3 594.623 4.765 40 10 KJCBHL CCOC(=O)[C@H](C(C)=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006088638 552530460 /nfs/dbraw/zinc/53/04/60/552530460.db2.gz FPVMDQXXLRSWLE-HSZRJFAPSA-N -2 3 585.487 4.831 40 10 KJCBHL CCOC(=O)[C@@H](C(C)=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006088640 552530400 /nfs/dbraw/zinc/53/04/00/552530400.db2.gz FPVMDQXXLRSWLE-QHCPKHFHSA-N -2 3 585.487 4.831 40 10 KJCBHL CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1[O-] ZINC000008974134 553195801 /nfs/dbraw/zinc/19/58/01/553195801.db2.gz NMVYLYFHYOYPMB-KRWDZBQOSA-N -3 3 501.504 4.574 40 10 KJCBHL CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1[O-] ZINC000008974136 553195753 /nfs/dbraw/zinc/19/57/53/553195753.db2.gz NMVYLYFHYOYPMB-QGZVFWFLSA-N -3 3 501.504 4.574 40 10 KJCBHL CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000009312892 553240755 /nfs/dbraw/zinc/24/07/55/553240755.db2.gz JOIKJQPYKCXRGS-NXCFDTQHSA-N -2 3 517.538 4.921 40 10 KJCBHL CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000013751001 553487922 /nfs/dbraw/zinc/48/79/22/553487922.db2.gz JOIKJQPYKCXRGS-GSDHBNRESA-N -2 3 517.538 4.921 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1[O-] ZINC000016688225 553572915 /nfs/dbraw/zinc/57/29/15/553572915.db2.gz SOLACFHAFAJISU-IKWVTPRCSA-N -2 3 517.420 4.620 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1[O-] ZINC000016688226 553572875 /nfs/dbraw/zinc/57/28/75/553572875.db2.gz SOLACFHAFAJISU-TZCPFCGOSA-N -2 3 517.420 4.620 40 10 KJCBHL COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849919 554369500 /nfs/dbraw/zinc/36/95/00/554369500.db2.gz MDWISHQLQHECAD-SGIRGMQISA-N -2 3 504.564 4.799 40 10 KJCBHL O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)cc(Br)c1[O-] ZINC000059135770 554382050 /nfs/dbraw/zinc/38/20/50/554382050.db2.gz WGUCWDFQOQAJND-UXBLZVDNSA-N -2 3 500.143 4.728 40 10 KJCBHL COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000080324554 553673174 /nfs/dbraw/zinc/67/31/74/553673174.db2.gz SMKBOLMZQKFVCM-WZOHSFFVSA-N -2 3 521.551 4.929 40 10 KJCBHL COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000100959018 554541637 /nfs/dbraw/zinc/54/16/37/554541637.db2.gz RWNYMHAXMMNPEC-QJOMJCCJSA-N -2 3 556.600 4.536 40 10 KJCBHL COc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1NC=C1C(=O)[N-]C(=O)N(c2cc(C)c(C)cc2Br)C1=O ZINC000100959065 554541901 /nfs/dbraw/zinc/54/19/01/554541901.db2.gz KGAGHADPYDVIJG-RGEXLXHISA-N -2 3 613.490 4.763 40 10 KJCBHL CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000101029060 554564606 /nfs/dbraw/zinc/56/46/06/554564606.db2.gz JOIKJQPYKCXRGS-ZNZIZOMTSA-N -2 3 517.538 4.921 40 10 KJCBHL CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000101029062 554564664 /nfs/dbraw/zinc/56/46/64/554564664.db2.gz JOIKJQPYKCXRGS-CYXNTTPDSA-N -2 3 517.538 4.921 40 10 KJCBHL CCOC(=O)[C@H](C(=O)c1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000102629201 554989005 /nfs/dbraw/zinc/98/90/05/554989005.db2.gz SUGLPUZNPRSFEE-MHZLTWQESA-N -2 3 578.668 4.818 40 10 KJCBHL CCOC(=O)[C@@H](C(=O)c1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000102629206 554988968 /nfs/dbraw/zinc/98/89/68/554988968.db2.gz SUGLPUZNPRSFEE-HHHXNRCGSA-N -2 3 578.668 4.818 40 10 KJCBHL COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000109184151 571428789 /nfs/dbraw/zinc/42/87/89/571428789.db2.gz RWNYMHAXMMNPEC-HAVVHWLPSA-N -2 3 556.600 4.536 40 10 KJCBHL O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000150444777 571499988 /nfs/dbraw/zinc/49/99/88/571499988.db2.gz GZRISRYWCGNVPR-FMQUCBEESA-N -2 3 657.604 4.694 40 10 KJCBHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1[N-]S(C)(=O)=O ZINC000225427624 571794477 /nfs/dbraw/zinc/79/44/77/571794477.db2.gz KSXLGLKNZMFOSG-SVBPBHIXSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1[N-]S(C)(=O)=O ZINC000225427666 571794518 /nfs/dbraw/zinc/79/45/18/571794518.db2.gz KSXLGLKNZMFOSG-SXOMAYOGSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1[N-]S(C)(=O)=O ZINC000225427709 571794711 /nfs/dbraw/zinc/79/47/11/571794711.db2.gz KSXLGLKNZMFOSG-RRPNLBNLSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1[N-]S(C)(=O)=O ZINC000225427752 571794468 /nfs/dbraw/zinc/79/44/68/571794468.db2.gz KSXLGLKNZMFOSG-KAYWLYCHSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427794 571794509 /nfs/dbraw/zinc/79/45/09/571794509.db2.gz KWKSGEWYMFLIPY-SVBPBHIXSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427835 571794490 /nfs/dbraw/zinc/79/44/90/571794490.db2.gz KWKSGEWYMFLIPY-SXOMAYOGSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427871 571794668 /nfs/dbraw/zinc/79/46/68/571794668.db2.gz KWKSGEWYMFLIPY-RRPNLBNLSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427918 571794566 /nfs/dbraw/zinc/79/45/66/571794566.db2.gz KWKSGEWYMFLIPY-KAYWLYCHSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427977 571795070 /nfs/dbraw/zinc/79/50/70/571795070.db2.gz FMSQIMRLOUZEAR-SVBPBHIXSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428016 571795091 /nfs/dbraw/zinc/79/50/91/571795091.db2.gz FMSQIMRLOUZEAR-SXOMAYOGSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428050 571795227 /nfs/dbraw/zinc/79/52/27/571795227.db2.gz FMSQIMRLOUZEAR-RRPNLBNLSA-N -2 3 591.715 4.745 40 10 KJCBHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428081 571795111 /nfs/dbraw/zinc/79/51/11/571795111.db2.gz FMSQIMRLOUZEAR-KAYWLYCHSA-N -2 3 591.715 4.745 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254016419 572302012 /nfs/dbraw/zinc/30/20/12/572302012.db2.gz JIJQRBWJNKPMEO-NJJKTQONSA-N -2 3 809.954 4.502 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254016425 572301971 /nfs/dbraw/zinc/30/19/71/572301971.db2.gz JIJQRBWJNKPMEO-XBBDLNLKSA-N -2 3 809.954 4.502 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000254016429 572301992 /nfs/dbraw/zinc/30/19/92/572301992.db2.gz JIJQRBWJNKPMEO-ZIIGXGRKSA-N -2 3 809.954 4.502 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000254016433 572302077 /nfs/dbraw/zinc/30/20/77/572302077.db2.gz JIJQRBWJNKPMEO-ZUEULMJNSA-N -2 3 809.954 4.502 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN(C)C)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000254134195 572302177 /nfs/dbraw/zinc/30/21/77/572302177.db2.gz MLCFJDJPAIZRMR-ABXLTNBCSA-N -2 3 754.874 4.816 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN(C)C)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254134198 572302216 /nfs/dbraw/zinc/30/22/16/572302216.db2.gz MLCFJDJPAIZRMR-NEVNEGCUSA-N -2 3 754.874 4.816 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN(C)C)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254134200 572302139 /nfs/dbraw/zinc/30/21/39/572302139.db2.gz MLCFJDJPAIZRMR-NQIBAKJUSA-N -2 3 754.874 4.816 40 10 KJCBHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(CN(C)C)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000254134202 572302193 /nfs/dbraw/zinc/30/21/93/572302193.db2.gz MLCFJDJPAIZRMR-ZVSDEQOESA-N -2 3 754.874 4.816 40 10 KJCBHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cc(C)c(Br)cc4C)C3=O)cc2)c1 ZINC000408530587 572172243 /nfs/dbraw/zinc/17/22/43/572172243.db2.gz JHIGCKXHPPIPMW-KGENOOAVSA-N -2 3 583.464 4.754 40 10 KJCBHL COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cc(C)c(Br)cc2C)C1=O ZINC000408530794 572173446 /nfs/dbraw/zinc/17/34/46/572173446.db2.gz JORDXYYJEJLDCB-XSFVSMFZSA-N -2 3 613.490 4.763 40 10 KJCBHL Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)C2=O)cc1C ZINC000408531181 572175188 /nfs/dbraw/zinc/17/51/88/572175188.db2.gz NKTSLCBDVGDMGV-KOEQRZSOSA-N -2 3 540.601 4.836 40 10 KJCBHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1 ZINC000408533832 572184812 /nfs/dbraw/zinc/18/48/12/572184812.db2.gz PHHJBTOJKUFYKC-PXLXIMEGSA-N -2 3 599.463 4.536 40 10 KJCBHL CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)C1=O ZINC000408534052 572185307 /nfs/dbraw/zinc/18/53/07/572185307.db2.gz UQCRSAIQDKNTOB-HKOYGPOVSA-N -2 3 540.601 4.782 40 10 KJCBHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4C)C3=O)cc2)c1 ZINC000408535020 572187708 /nfs/dbraw/zinc/18/77/08/572187708.db2.gz XDZGOEBZPSVQDC-KGENOOAVSA-N -2 3 583.464 4.754 40 10 KJCBHL O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408535874 572189746 /nfs/dbraw/zinc/18/97/46/572189746.db2.gz UHXUKVNBCUWROQ-XQNSMLJCSA-N -2 3 591.443 4.982 40 10 KJCBHL CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1=O ZINC000408538114 572197124 /nfs/dbraw/zinc/19/71/24/572197124.db2.gz JFBAOJUUINOFPL-PXLXIMEGSA-N -2 3 583.464 4.700 40 10 KJCBHL CCc1nc(SC(=Cc2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])n[n-]1 ZINC000408633410 572290026 /nfs/dbraw/zinc/29/00/26/572290026.db2.gz YFTGFKLNBQFTNI-MFOYZWKCSA-N -2 3 508.385 4.905 40 10 KJCBHL CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])n[n-]1 ZINC000408633522 572290160 /nfs/dbraw/zinc/29/01/60/572290160.db2.gz ZFZOCYKFOYAPQT-BOPFTXTBSA-N -2 3 508.385 4.987 40 10 KJCBHL O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)cc(Cl)c1[O-] ZINC000408721844 1066561404 /nfs/dbraw/zinc/56/14/04/1066561404.db2.gz AJTDKAQAJQDAMQ-ONNFQVAWSA-N -2 3 506.592 4.946 40 10 KJCBHL O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)cc(I)c1[O-] ZINC000408722122 1066561289 /nfs/dbraw/zinc/56/12/89/1066561289.db2.gz FCLSHUGHVLEHAW-ONNFQVAWSA-N -2 3 645.043 4.740 40 10 KJCBHL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(I)c2[O-])C(=O)[N-]C1=S ZINC000408740356 1066575648 /nfs/dbraw/zinc/57/56/48/1066575648.db2.gz FTQSWLWWXFJMJM-SDQBBNPISA-N -2 3 577.625 4.552 40 10 KJCBHL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(I)cc(I)c2[O-])C(=O)[N-]C1=S ZINC000408740372 1066576446 /nfs/dbraw/zinc/57/64/46/1066576446.db2.gz FWLRDJSBHJOLOC-SDQBBNPISA-N -2 3 669.076 4.504 40 10 KJCBHL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)[N-]C1=S ZINC000408740777 1066575803 /nfs/dbraw/zinc/57/58/03/1066575803.db2.gz IBCFRDOBGQEVLP-SDQBBNPISA-N -2 3 622.076 4.662 40 10 KJCBHL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)[N-]C1=S ZINC000408740808 1066575756 /nfs/dbraw/zinc/57/57/56/1066575756.db2.gz IEZLJUARKWYLEG-WUXMJOGZSA-N -2 3 575.076 4.819 40 10 KJCBHL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)[N-]C1=S ZINC000408742039 1066575253 /nfs/dbraw/zinc/57/52/53/1066575253.db2.gz OXWIBSYUNVXOFS-SDQBBNPISA-N -2 3 530.625 4.710 40 10 KJCBHL O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000408742890 1066573856 /nfs/dbraw/zinc/57/38/56/1066573856.db2.gz TZBOVGVEBFKBCC-LFYBBSHMSA-N -2 3 561.049 4.511 40 10 KJCBHL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)[N-]C1=S ZINC000408743104 1066573727 /nfs/dbraw/zinc/57/37/27/1066573727.db2.gz UPZJLHBBKKQIHX-SDQBBNPISA-N -2 3 530.625 4.710 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Cl)c1[O-] ZINC000408847091 1066249342 /nfs/dbraw/zinc/24/93/42/1066249342.db2.gz MJYQDTDHTWMZDH-VMPITWQZSA-N -2 3 536.618 4.955 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000408933489 1066276354 /nfs/dbraw/zinc/27/63/54/1066276354.db2.gz AHKBAKISEBFRPM-VCHYOVAHSA-N -2 3 513.333 4.953 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1[O-] ZINC000408941601 1066723724 /nfs/dbraw/zinc/72/37/24/1066723724.db2.gz XHVTYPWMMAVLJB-VXLYETTFSA-N -2 3 513.333 4.953 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)c(Br)c1[O-] ZINC000409087001 1066321086 /nfs/dbraw/zinc/32/10/86/1066321086.db2.gz IGZCENBIGJLCSK-UXBLZVDNSA-N -2 3 560.651 4.719 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1[O-] ZINC000409124930 1066901473 /nfs/dbraw/zinc/90/14/73/1066901473.db2.gz CHBAHCNCVMXVNM-MDWZMJQESA-N -2 3 554.260 4.764 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(Br)c(Br)c1[O-] ZINC000409128834 1066909623 /nfs/dbraw/zinc/90/96/23/1066909623.db2.gz IYZWNVHIWRQRPK-MDWZMJQESA-N -2 3 554.260 4.764 40 10 KJCBHL Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409150012 1066925882 /nfs/dbraw/zinc/92/58/82/1066925882.db2.gz YDAIQTRHTUNNES-VXLYETTFSA-N -3 3 542.978 4.851 40 10 KJCBHL C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c([O-])n(-c3ccccc3)c(=S)[n-]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184539 1066945874 /nfs/dbraw/zinc/94/58/74/1066945874.db2.gz GYKTXYMYMNYFMO-IKFZSMAASA-N -2 3 689.819 4.987 40 10 KJCBHL C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c([O-])n(-c3ccccc3)c(=S)[n-]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184545 1066945952 /nfs/dbraw/zinc/94/59/52/1066945952.db2.gz GYKTXYMYMNYFMO-NHWQNDRASA-N -2 3 689.819 4.987 40 10 KJCBHL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3[O-])C2=O)cc1OCC ZINC000409191413 1066954321 /nfs/dbraw/zinc/95/43/21/1066954321.db2.gz GWCFBYJSTCWSBA-MHWRWJLKSA-N -2 3 582.245 4.767 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409228300 1066973354 /nfs/dbraw/zinc/97/33/54/1066973354.db2.gz WYBCSLMBOGHCLJ-RIYZIHGNSA-N -2 3 554.260 4.881 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(Br)c(Br)c1[O-] ZINC000409228583 1066339388 /nfs/dbraw/zinc/33/93/88/1066339388.db2.gz ZNDZBZCTMQRROQ-MDWZMJQESA-N -2 3 554.260 4.764 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409238318 1066983884 /nfs/dbraw/zinc/98/38/84/1066983884.db2.gz WWQUAFXUBLHRHJ-VZUCSPMQSA-N -2 3 580.176 4.776 40 10 KJCBHL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409240414 1066982253 /nfs/dbraw/zinc/98/22/53/1066982253.db2.gz PNDUGCVTXDBKGJ-VZUCSPMQSA-N -2 3 560.651 4.719 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(Br)c(Br)c1[O-] ZINC000409240606 1066982313 /nfs/dbraw/zinc/98/23/13/1066982313.db2.gz UPXVLMFLLJNNJX-JXMROGBWSA-N -2 3 560.651 4.801 40 10 KJCBHL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409382523 1067098899 /nfs/dbraw/zinc/09/88/99/1067098899.db2.gz OIQCOXQXUITOJZ-NTEUORMPSA-N -2 3 554.260 4.710 40 10 KJCBHL