smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000001106528 551610143 /nfs/dbraw/zinc/61/01/43/551610143.db2.gz BPCMXDIGFKCDFA-OVCLIPMQSA-N -1 1 540.354 3.665 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002955084 552230434 /nfs/dbraw/zinc/23/04/34/552230434.db2.gz SVMVUBXRVDWDAD-LDADJPATSA-N -1 1 506.511 3.943 40 10 KHCBMM O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(I)cc4)C3=O)o2)c1 ZINC000012428661 553366061 /nfs/dbraw/zinc/36/60/61/553366061.db2.gz VBZLRYPMWMXQDW-BOPFTXTBSA-N -1 1 500.248 3.711 40 10 KHCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000016267946 553558108 /nfs/dbraw/zinc/55/81/08/553558108.db2.gz QVFAZROJZVUNJH-UHFFFAOYSA-N -1 1 518.389 3.847 40 10 KHCBMM COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000016267946 553558105 /nfs/dbraw/zinc/55/81/05/553558105.db2.gz QVFAZROJZVUNJH-UHFFFAOYSA-N -1 1 518.389 3.847 40 10 KHCBMM COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000016267946 553558104 /nfs/dbraw/zinc/55/81/04/553558104.db2.gz QVFAZROJZVUNJH-UHFFFAOYSA-N -1 1 518.389 3.847 40 10 KHCBMM CC1=NN(c2ccc(Br)cc2C)C(=O)C1=Cc1c([O-])n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000016282428 553558505 /nfs/dbraw/zinc/55/85/05/553558505.db2.gz HYPSXSLGNWWVRX-YBEGLDIGSA-N -1 1 515.751 3.762 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C ZINC000041077950 554293730 /nfs/dbraw/zinc/29/37/30/554293730.db2.gz MXGVNSZUKSBBDQ-UHFFFAOYSA-N -1 1 519.417 3.837 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000041077951 554293713 /nfs/dbraw/zinc/29/37/13/554293713.db2.gz VGDRLQGPJCZOEA-UHFFFAOYSA-N -1 1 519.417 3.837 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000041077952 554293779 /nfs/dbraw/zinc/29/37/79/554293779.db2.gz NZOAIRHTJKCDMI-UHFFFAOYSA-N -1 1 519.417 3.837 40 10 KHCBMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000043766955 554299895 /nfs/dbraw/zinc/29/98/95/554299895.db2.gz UJXRVGKHBXEYSS-JCHYSQADSA-N -1 1 505.534 3.670 40 10 KHCBMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000043766956 554299957 /nfs/dbraw/zinc/29/99/57/554299957.db2.gz UJXRVGKHBXEYSS-AIAVXMCLSA-N -1 1 505.534 3.670 40 10 KHCBMM COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000059136131 554382261 /nfs/dbraw/zinc/38/22/61/554382261.db2.gz KDYQSCMHPNZYJS-IZZDOVSWSA-N -1 1 509.309 3.732 40 10 KHCBMM COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000059136146 554382250 /nfs/dbraw/zinc/38/22/50/554382250.db2.gz XOBOGYUPXGHPIE-IZZDOVSWSA-N -1 1 509.309 3.732 40 10 KHCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)NC1=S ZINC000059247814 554386823 /nfs/dbraw/zinc/38/68/23/554386823.db2.gz WTLXMMWSSFDQET-NTUHNPAUSA-N -1 1 509.765 3.706 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059248992 554387202 /nfs/dbraw/zinc/38/72/02/554387202.db2.gz QHLQOFZZRIBPAP-LDADJPATSA-N -1 1 506.511 3.943 40 10 KHCBMM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059594244 554407905 /nfs/dbraw/zinc/40/79/05/554407905.db2.gz INFHRTGGCWSCEP-UDWIEESQSA-N -1 1 505.552 3.641 40 10 KHCBMM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059594941 554407968 /nfs/dbraw/zinc/40/79/68/554407968.db2.gz WTDLNZKIPWCUEK-UDWIEESQSA-N -1 1 505.552 3.641 40 10 KHCBMM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000100460375 554397533 /nfs/dbraw/zinc/39/75/33/554397533.db2.gz GMLTVVBGPFFCJM-VZUCSPMQSA-N -1 1 594.530 3.921 40 10 KHCBMM CC1=NN(c2ccc(Br)cc2C)C(=O)C1=Cc1c([O-])n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000100947794 554536248 /nfs/dbraw/zinc/53/62/48/554536248.db2.gz HYPSXSLGNWWVRX-MHWRWJLKSA-N -1 1 515.751 3.762 40 10 KHCBMM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)n1 ZINC000101125332 554644872 /nfs/dbraw/zinc/64/48/72/554644872.db2.gz VGHHGBUAAQKQPT-CPNJWEJPSA-N -1 1 573.429 3.776 40 10 KHCBMM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)cc2)n1 ZINC000101125584 554644849 /nfs/dbraw/zinc/64/48/49/554644849.db2.gz WBKVMSJKWFCKCX-CPNJWEJPSA-N -1 1 620.429 3.618 40 10 KHCBMM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)o3)sc2c1 ZINC000103757695 555470572 /nfs/dbraw/zinc/47/05/72/555470572.db2.gz ZYXAIGQDJGECMF-UHFFFAOYSA-N -1 1 532.584 3.755 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000103761098 555471381 /nfs/dbraw/zinc/47/13/81/555471381.db2.gz YHIRSYVOINEWNM-UHFFFAOYSA-N -1 1 542.782 3.837 40 10 KHCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000103767258 555473795 /nfs/dbraw/zinc/47/37/95/555473795.db2.gz CGSKATNNDWQXLP-UHFFFAOYSA-N -1 1 558.601 3.820 40 10 KHCBMM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000103806035 555481960 /nfs/dbraw/zinc/48/19/60/555481960.db2.gz CLMYMLAYLOXUPI-GASCZTMLSA-N -1 1 593.668 3.950 40 10 KHCBMM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000103806042 555482114 /nfs/dbraw/zinc/48/21/14/555482114.db2.gz CLMYMLAYLOXUPI-GJZGRUSLSA-N -1 1 593.668 3.950 40 10 KHCBMM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000103806048 555482094 /nfs/dbraw/zinc/48/20/94/555482094.db2.gz CLMYMLAYLOXUPI-HUUCEWRRSA-N -1 1 593.668 3.950 40 10 KHCBMM O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000103850925 571364851 /nfs/dbraw/zinc/36/48/51/571364851.db2.gz SYIRKAUMXOQTQT-WEVVVXLNSA-N -1 1 594.143 3.572 40 10 KHCBMM O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1 ZINC000103851044 571364864 /nfs/dbraw/zinc/36/48/64/571364864.db2.gz JQCKVHDRRWIGCR-WEVVVXLNSA-N -1 1 547.143 3.730 40 10 KHCBMM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000103851610 571364930 /nfs/dbraw/zinc/36/49/30/571364930.db2.gz KYUDKSAXDQGLCP-BJMVGYQFSA-N -1 1 558.179 3.645 40 10 KHCBMM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000103851725 571365176 /nfs/dbraw/zinc/36/51/76/571365176.db2.gz BYAJGQVWUMXWAY-BJMVGYQFSA-N -1 1 513.728 3.536 40 10 KHCBMM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103920096 571369748 /nfs/dbraw/zinc/36/97/48/571369748.db2.gz MTDTZOXNTSKBJJ-KQWNVCNZSA-N -1 1 577.648 3.847 40 10 KHCBMM O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1[O-] ZINC000104660253 571384884 /nfs/dbraw/zinc/38/48/84/571384884.db2.gz WNOJBSSGDSRKMI-UHFFFAOYSA-N -1 1 540.091 3.745 40 10 KHCBMM CCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000104881729 571386999 /nfs/dbraw/zinc/38/69/99/571386999.db2.gz SUCZYKLYCQAVOU-GIJQJNRQSA-N -1 1 542.411 3.858 40 10 KHCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000105496139 571405080 /nfs/dbraw/zinc/40/50/80/571405080.db2.gz ACXDYCYHSKPKAX-UHFFFAOYSA-N -1 1 514.170 3.844 40 10 KHCBMM CCN1C(=O)/C(=C\c2cc(I)cc(I)c2[O-])SC1=S ZINC000105668312 571408179 /nfs/dbraw/zinc/40/81/79/571408179.db2.gz LIGMPGLQPZFWDK-RUDMXATFSA-N -1 1 517.151 3.823 40 10 KHCBMM CCOc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000108422970 1066886557 /nfs/dbraw/zinc/88/65/57/1066886557.db2.gz IZBLCHMJWNDJLH-ZSOIEALJSA-N -1 1 559.236 3.769 40 10 KHCBMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150389312 571471659 /nfs/dbraw/zinc/47/16/59/571471659.db2.gz UKOLQVJGMHCRQI-XQJRBFNUSA-N -1 1 715.351 3.779 40 10 KHCBMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150389313 571471656 /nfs/dbraw/zinc/47/16/56/571471656.db2.gz UKOLQVJGMHCRQI-RZXXJPOTSA-N -1 1 715.351 3.779 40 10 KHCBMM O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000150469658 571508806 /nfs/dbraw/zinc/50/88/06/571508806.db2.gz UVNJEQSBUQFISC-QURGRASLSA-N -1 1 706.762 3.984 40 10 KHCBMM O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164480816 571548881 /nfs/dbraw/zinc/54/88/81/571548881.db2.gz XJWZGSACJMXWJM-LFYBBSHMSA-N -1 1 713.085 3.953 40 10 KHCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C ZINC000408526224 572157263 /nfs/dbraw/zinc/15/72/63/572157263.db2.gz AJJAFDFYDOCBON-ZHZULCJRSA-N -1 1 533.448 3.805 40 10 KHCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000408529552 572168806 /nfs/dbraw/zinc/16/88/06/572168806.db2.gz INTBNSGPFDGOOI-ZROIWOOFSA-N -1 1 533.390 3.556 40 10 KHCBMM Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c(N3CCN(C)CC3)cc2n(C)c1=O ZINC000408535394 572188210 /nfs/dbraw/zinc/18/82/10/572188210.db2.gz SNVZIGSROBSNGA-LHLOQNFPSA-N -1 1 623.758 3.675 40 10 KHCBMM CN1CCN(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)CC1 ZINC000408535473 572188720 /nfs/dbraw/zinc/18/87/20/572188720.db2.gz SVFFIOSXCILKBA-HMMYKYKNSA-N -1 1 527.463 3.631 40 10 KHCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538342 572198170 /nfs/dbraw/zinc/19/81/70/572198170.db2.gz LHCKDJSNOOCORP-UHFFFAOYSA-N -1 1 504.564 3.776 40 10 KHCBMM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408544460 572215824 /nfs/dbraw/zinc/21/58/24/572215824.db2.gz WEFXPBNDQXFCER-UDWIEESQSA-N -1 1 501.520 3.821 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550085 572233471 /nfs/dbraw/zinc/23/34/71/572233471.db2.gz BINRGAQNPRANDK-UHFFFAOYSA-N -1 1 620.252 3.929 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551694 572236776 /nfs/dbraw/zinc/23/67/76/572236776.db2.gz LZWWCUZMRVDFGW-UHFFFAOYSA-N -1 1 557.184 3.922 40 10 KHCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551694 572236773 /nfs/dbraw/zinc/23/67/73/572236773.db2.gz LZWWCUZMRVDFGW-UHFFFAOYSA-N -1 1 557.184 3.922 40 10 KHCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551708 572236862 /nfs/dbraw/zinc/23/68/62/572236862.db2.gz MDDZVEGDEZQZDK-UHFFFAOYSA-N -1 1 606.225 3.538 40 10 KHCBMM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551845 572236834 /nfs/dbraw/zinc/23/68/34/572236834.db2.gz GNLIOMZQHCADRD-UHFFFAOYSA-N -1 1 513.131 3.523 40 10 KHCBMM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551845 572236830 /nfs/dbraw/zinc/23/68/30/572236830.db2.gz GNLIOMZQHCADRD-UHFFFAOYSA-N -1 1 513.131 3.523 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551880 572237365 /nfs/dbraw/zinc/23/73/65/572237365.db2.gz NEKMQYIBCIQGGD-UHFFFAOYSA-N -1 1 604.184 3.764 40 10 KHCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551880 572237363 /nfs/dbraw/zinc/23/73/63/572237363.db2.gz NEKMQYIBCIQGGD-UHFFFAOYSA-N -1 1 604.184 3.764 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552145 572237708 /nfs/dbraw/zinc/23/77/08/572237708.db2.gz OPQXDNUXUDATFI-UHFFFAOYSA-N -1 1 512.733 3.812 40 10 KHCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552145 572237704 /nfs/dbraw/zinc/23/77/04/572237704.db2.gz OPQXDNUXUDATFI-UHFFFAOYSA-N -1 1 512.733 3.812 40 10 KHCBMM O=C(COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552201 572237732 /nfs/dbraw/zinc/23/77/32/572237732.db2.gz IAHJPJAUBBQKPP-UHFFFAOYSA-N -1 1 529.199 3.688 40 10 KHCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552466 572238170 /nfs/dbraw/zinc/23/81/70/572238170.db2.gz IRJKRTOUKITRFW-UHFFFAOYSA-N -1 1 514.774 3.587 40 10 KHCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552471 572238189 /nfs/dbraw/zinc/23/81/89/572238189.db2.gz ITCKFHQHQKRUCV-UHFFFAOYSA-N -1 1 543.157 3.531 40 10 KHCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552471 572238185 /nfs/dbraw/zinc/23/81/85/572238185.db2.gz ITCKFHQHQKRUCV-UHFFFAOYSA-N -1 1 543.157 3.531 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553030 572239979 /nfs/dbraw/zinc/23/99/79/572239979.db2.gz UQCUSCDIPXEHAZ-UHFFFAOYSA-N -1 1 528.801 3.977 40 10 KHCBMM O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408553650 572240928 /nfs/dbraw/zinc/24/09/28/572240928.db2.gz OYFVAPOCGSGDEZ-UHFFFAOYSA-N -1 1 529.199 3.688 40 10 KHCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553668 572240923 /nfs/dbraw/zinc/24/09/23/572240923.db2.gz PANFNTOWPJOBBD-UHFFFAOYSA-N -1 1 559.225 3.696 40 10 KHCBMM 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40 10 KHCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409189715 1066762631 /nfs/dbraw/zinc/76/26/31/1066762631.db2.gz RTGPRTQKQUEBMB-UDWIEESQSA-N -1 1 504.524 3.840 40 10 KHCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409189980 1066762591 /nfs/dbraw/zinc/76/25/91/1066762591.db2.gz OZOCTLGCLRWPDP-RGVLZGJSSA-N -1 1 504.524 3.840 40 10 KHCBMM COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000409190246 1066762424 /nfs/dbraw/zinc/76/24/24/1066762424.db2.gz QPDQMQKPLUHGDI-KGENOOAVSA-N -1 1 518.547 3.812 40 10 KHCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409190791 1066271140 /nfs/dbraw/zinc/27/11/40/1066271140.db2.gz QVDOAQITRSAKKQ-HYARGMPZSA-N -1 1 524.558 3.810 40 10 KHCBMM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1 ZINC000409190979 1066762490 /nfs/dbraw/zinc/76/24/90/1066762490.db2.gz 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1066761891 /nfs/dbraw/zinc/76/18/91/1066761891.db2.gz FZCOGTHDANCTNZ-YBFXNURJSA-N -1 1 520.523 3.540 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OC(C)C ZINC000409193663 1066761395 /nfs/dbraw/zinc/76/13/95/1066761395.db2.gz KXIWIIWBFIQCJK-OVCLIPMQSA-N -1 1 519.373 3.774 40 10 KHCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1OCC ZINC000409195182 1066760889 /nfs/dbraw/zinc/76/08/89/1066760889.db2.gz SBVUJAQLYSSUQM-RQZCQDPDSA-N -1 1 591.411 3.771 40 10 KHCBMM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)c1C ZINC000409195513 1066760909 /nfs/dbraw/zinc/76/09/09/1066760909.db2.gz VZHDKEPSNKRSGQ-FYJGNVAPSA-N -1 1 517.563 3.719 40 10 KHCBMM CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=S)NC2=O)nnc1-c1cccc(Cl)c1 ZINC000409195515 1066760748 /nfs/dbraw/zinc/76/07/48/1066760748.db2.gz WBGLLNZEEROGNO-UHFFFAOYSA-N -1 1 514.976 3.592 40 10 KHCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409195736 1066760873 /nfs/dbraw/zinc/76/08/73/1066760873.db2.gz RVHTWBAABGOJMO-LPYMAVHISA-N -1 1 542.548 3.949 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCC ZINC000409195807 1066760764 /nfs/dbraw/zinc/76/07/64/1066760764.db2.gz WBJKQWZCOJXVCD-OQLLNIDSSA-N -1 1 519.373 3.776 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(Br)c(Br)c1O ZINC000409196417 1066760217 /nfs/dbraw/zinc/76/02/17/1066760217.db2.gz ZZJOUIIDMJHDEO-KPKJPENVSA-N -1 1 570.215 3.845 40 10 KHCBMM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409220202 1066770080 /nfs/dbraw/zinc/77/00/80/1066770080.db2.gz ZFINZFCNLCIKEQ-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409220202 1066770075 /nfs/dbraw/zinc/77/00/75/1066770075.db2.gz ZFINZFCNLCIKEQ-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM COc1ccc(NC(=O)COc2c(I)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000409221041 1066769460 /nfs/dbraw/zinc/76/94/60/1066769460.db2.gz JVSZGYXZBPCPCA-SXGWCWSVSA-N -1 1 556.403 3.815 40 10 KHCBMM O=C(COc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409221772 1066769437 /nfs/dbraw/zinc/76/94/37/1066769437.db2.gz AUTBWTAEIPVCLF-UHFFFAOYSA-N -1 1 573.650 3.797 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000409247707 1066775494 /nfs/dbraw/zinc/77/54/94/1066775494.db2.gz ATXZUTJDFWPSJW-UHFFFAOYSA-N -1 1 571.609 3.940 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000409247707 1066775488 /nfs/dbraw/zinc/77/54/88/1066775488.db2.gz ATXZUTJDFWPSJW-UHFFFAOYSA-N -1 1 571.609 3.940 40 10 KHCBMM O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccccc1Cl ZINC000409249372 1066775200 /nfs/dbraw/zinc/77/52/00/1066775200.db2.gz HNJSAJNGHWHISL-UHFFFAOYSA-N -1 1 573.650 3.797 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252043 1066777557 /nfs/dbraw/zinc/77/75/57/1066777557.db2.gz RLFKHKVARUMCEO-UHFFFAOYSA-N -1 1 536.766 3.577 40 10 KHCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252043 1066777548 /nfs/dbraw/zinc/77/75/48/1066777548.db2.gz RLFKHKVARUMCEO-UHFFFAOYSA-N -1 1 536.766 3.577 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c(C)c1 ZINC000409252726 1066777494 /nfs/dbraw/zinc/77/74/94/1066777494.db2.gz SKYGWFMJBFLNOW-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM O=C(COc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br)Nc1ccccc1Cl ZINC000409253380 1066776816 /nfs/dbraw/zinc/77/68/16/1066776816.db2.gz FVUNKLZWLDCJQL-UHFFFAOYSA-N -1 1 573.650 3.797 40 10 KHCBMM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccccc1Cl ZINC000409254646 1066776695 /nfs/dbraw/zinc/77/66/95/1066776695.db2.gz XYNYWWSHCHQTIO-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccccc1Cl ZINC000409254646 1066776692 /nfs/dbraw/zinc/77/66/92/1066776692.db2.gz XYNYWWSHCHQTIO-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1C ZINC000409256342 1066275229 /nfs/dbraw/zinc/27/52/29/1066275229.db2.gz NVNCEFVEBJDHMD-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1C ZINC000409256342 1066275217 /nfs/dbraw/zinc/27/52/17/1066275217.db2.gz NVNCEFVEBJDHMD-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c(C)c1 ZINC000409256494 1066776119 /nfs/dbraw/zinc/77/61/19/1066776119.db2.gz OVDMIBYESHIKBX-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c(C)c1 ZINC000409256494 1066776110 /nfs/dbraw/zinc/77/61/10/1066776110.db2.gz OVDMIBYESHIKBX-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1C ZINC000409257547 1066781350 /nfs/dbraw/zinc/78/13/50/1066781350.db2.gz SSSTTZCWRVRWME-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1C ZINC000409257553 1066781401 /nfs/dbraw/zinc/78/14/01/1066781401.db2.gz SUMTXFQYMMTWOG-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1C ZINC000409257553 1066781390 /nfs/dbraw/zinc/78/13/90/1066781390.db2.gz SUMTXFQYMMTWOG-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409258626 1066275293 /nfs/dbraw/zinc/27/52/93/1066275293.db2.gz YHKBCJAYGUQUIC-NVNXTCNLSA-N -1 1 544.367 3.945 40 10 KHCBMM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c1 ZINC000409258776 1066780624 /nfs/dbraw/zinc/78/06/24/1066780624.db2.gz VXEFVZWIGPUJHX-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1C ZINC000409259957 1066276131 /nfs/dbraw/zinc/27/61/31/1066276131.db2.gz IIFWQXFAQBAFQH-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409260283 1066779995 /nfs/dbraw/zinc/77/99/95/1066779995.db2.gz NXZRVTFMFMGNBP-UHFFFAOYSA-N -1 1 508.383 3.632 40 10 KHCBMM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000409260560 1066779821 /nfs/dbraw/zinc/77/98/21/1066779821.db2.gz RZUFIBXLXNONBE-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c1C ZINC000409260649 1066780025 /nfs/dbraw/zinc/78/00/25/1066780025.db2.gz TZPHAKOREMGMHR-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)c1 ZINC000409262513 1066778165 /nfs/dbraw/zinc/77/81/65/1066778165.db2.gz FPDGVEWPESVJST-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)c1 ZINC000409262513 1066778155 /nfs/dbraw/zinc/77/81/55/1066778155.db2.gz FPDGVEWPESVJST-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c(C)c1 ZINC000409262817 1066779162 /nfs/dbraw/zinc/77/91/62/1066779162.db2.gz HRIJWCMSVHLYCR-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000409263341 1066779233 /nfs/dbraw/zinc/77/92/33/1066779233.db2.gz MFLILXCGZAWHOH-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1 ZINC000409263341 1066779219 /nfs/dbraw/zinc/77/92/19/1066779219.db2.gz MFLILXCGZAWHOH-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)cc1C ZINC000409263842 1066779309 /nfs/dbraw/zinc/77/93/09/1066779309.db2.gz MWAXSFXIHHVVSB-UHFFFAOYSA-N -1 1 567.259 3.760 40 10 KHCBMM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1 ZINC000409264001 1066779500 /nfs/dbraw/zinc/77/95/00/1066779500.db2.gz JZNAAZPBOIYLCD-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1 ZINC000409264001 1066779494 /nfs/dbraw/zinc/77/94/94/1066779494.db2.gz JZNAAZPBOIYLCD-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1 ZINC000409265115 1066778815 /nfs/dbraw/zinc/77/88/15/1066778815.db2.gz MRHTYRARXLKGEY-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1 ZINC000409265115 1066778810 /nfs/dbraw/zinc/77/88/10/1066778810.db2.gz MRHTYRARXLKGEY-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266523 1066778290 /nfs/dbraw/zinc/77/82/90/1066778290.db2.gz ZJWUJXVWMKLOLX-UHFFFAOYSA-N -1 1 599.834 3.584 40 10 KHCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266583 1066778068 /nfs/dbraw/zinc/77/80/68/1066778068.db2.gz PZQGFGQXWXERAD-UHFFFAOYSA-N -1 1 552.834 3.741 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)cc1Cl ZINC000409267087 1066276417 /nfs/dbraw/zinc/27/64/17/1066276417.db2.gz LULLKCZTNKLSHJ-UHFFFAOYSA-N -1 1 571.609 3.940 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)cc1Cl ZINC000409267087 1066276405 /nfs/dbraw/zinc/27/64/05/1066276405.db2.gz LULLKCZTNKLSHJ-UHFFFAOYSA-N -1 1 571.609 3.940 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C ZINC000409268125 1066782783 /nfs/dbraw/zinc/78/27/83/1066782783.db2.gz QCEQYHGNSCTKTL-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C ZINC000409268125 1066782773 /nfs/dbraw/zinc/78/27/73/1066782773.db2.gz QCEQYHGNSCTKTL-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1C ZINC000409269864 1066782332 /nfs/dbraw/zinc/78/23/32/1066782332.db2.gz AJGOVPOKNSCRGP-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1C ZINC000409269864 1066782325 /nfs/dbraw/zinc/78/23/25/1066782325.db2.gz AJGOVPOKNSCRGP-UHFFFAOYSA-N -1 1 551.191 3.595 40 10 KHCBMM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl ZINC000409270122 1066782251 /nfs/dbraw/zinc/78/22/51/1066782251.db2.gz CKWOCCCCYTURSO-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl ZINC000409270122 1066782245 /nfs/dbraw/zinc/78/22/45/1066782245.db2.gz CKWOCCCCYTURSO-UHFFFAOYSA-N -1 1 557.582 3.632 40 10 KHCBMM O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccc(Cl)cc1 ZINC000409271755 1066781804 /nfs/dbraw/zinc/78/18/04/1066781804.db2.gz MRPNBXRBFJMDJW-UHFFFAOYSA-N -1 1 573.650 3.797 40 10 KHCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409273282 1066276969 /nfs/dbraw/zinc/27/69/69/1066276969.db2.gz WWUBADBYSBEKAG-DHDCSXOGSA-N -1 1 526.377 3.806 40 10 KHCBMM CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409342059 1066798776 /nfs/dbraw/zinc/79/87/76/1066798776.db2.gz DBWVFEJUMKMOQY-LUAWRHEFSA-N -1 1 524.490 3.738 40 10 KHCBMM CCOc1c(I)cc(I)cc1C=C1SC(=S)[N-]C1=O ZINC000409344165 1066798143 /nfs/dbraw/zinc/79/81/43/1066798143.db2.gz FXAZYWMZLBBUIT-WTKPLQERSA-N -1 1 517.151 3.783 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409371026 1066811631 /nfs/dbraw/zinc/81/16/31/1066811631.db2.gz CRCJPEAWIXVKMC-GIJQJNRQSA-N -1 1 510.886 3.881 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409371032 1066811683 /nfs/dbraw/zinc/81/16/83/1066811683.db2.gz AKVDHXMYNOEYBS-GIJQJNRQSA-N -1 1 602.337 3.832 40 10 KHCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2Br)cc1 ZINC000409372314 1066811120 /nfs/dbraw/zinc/81/11/20/1066811120.db2.gz KAXLKPUGYYSUMJ-VCHYOVAHSA-N -1 1 525.311 3.981 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409373006 1066283611 /nfs/dbraw/zinc/28/36/11/1066283611.db2.gz PCNZPGPVDMUXFA-GIJQJNRQSA-N -1 1 555.337 3.990 40 10 KHCBMM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000409373303 1066810430 /nfs/dbraw/zinc/81/04/30/1066810430.db2.gz GUUMPGSZJFFXGQ-YBFXNURJSA-N -1 1 525.311 3.981 40 10 KHCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2I)cc1 ZINC000409373417 1066810580 /nfs/dbraw/zinc/81/05/80/1066810580.db2.gz RVPNQLUCUGBWMC-VCHYOVAHSA-N -1 1 572.311 3.823 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409373479 1066810543 /nfs/dbraw/zinc/81/05/43/1066810543.db2.gz TYPUNZNQEAYGLJ-GIJQJNRQSA-N -1 1 602.337 3.832 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409374425 1066810523 /nfs/dbraw/zinc/81/05/23/1066810523.db2.gz PEXHSZXBOGYNCG-GIJQJNRQSA-N -1 1 555.337 3.990 40 10 KHCBMM COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409374619 1066809782 /nfs/dbraw/zinc/80/97/82/1066809782.db2.gz VDYKNOWCROMOQQ-GIJQJNRQSA-N -1 1 510.886 3.881 40 10 KHCBMM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2Br)c1 ZINC000409374678 1066809897 /nfs/dbraw/zinc/80/98/97/1066809897.db2.gz WMHKHTYBBIPLBK-VCHYOVAHSA-N -1 1 525.311 3.981 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000409377662 1066813421 /nfs/dbraw/zinc/81/34/21/1066813421.db2.gz JZHUPGHHRPWKFL-CXUHLZMHSA-N -1 1 533.400 3.705 40 10 KHCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)NC2=S)cc1 ZINC000409378226 1066812755 /nfs/dbraw/zinc/81/27/55/1066812755.db2.gz NMFJHRVXYAKGRW-NTUHNPAUSA-N -1 1 604.207 3.995 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409380012 1066285205 /nfs/dbraw/zinc/28/52/05/1066285205.db2.gz FTRIWTVWSNEBOW-CXUHLZMHSA-N -1 1 533.400 3.705 40 10 KHCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409384226 1066816885 /nfs/dbraw/zinc/81/68/85/1066816885.db2.gz BHZUDXRBLPPPGQ-CXUHLZMHSA-N -1 1 580.400 3.547 40 10 KHCBMM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384426 1066816910 /nfs/dbraw/zinc/81/69/10/1066816910.db2.gz BJFZOOFMJZOVFV-XDHOZWIPSA-N -1 1 522.535 3.795 40 10 KHCBMM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384996 1066816195 /nfs/dbraw/zinc/81/61/95/1066816195.db2.gz HFQXDNMUKJFARR-XDHOZWIPSA-N -1 1 506.536 3.959 40 10 KHCBMM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C(=O)NC1=S ZINC000409385415 1066816249 /nfs/dbraw/zinc/81/62/49/1066816249.db2.gz LHRACPKFLWENTO-LDADJPATSA-N -1 1 506.536 3.959 40 10 KHCBMM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)NC2=S)c1 ZINC000409385424 1066284100 /nfs/dbraw/zinc/28/41/00/1066284100.db2.gz LOTQYJDFZLFLHP-YBFXNURJSA-N -1 1 522.535 3.795 40 10 KHCBMM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409399114 1066828329 /nfs/dbraw/zinc/82/83/29/1066828329.db2.gz FYJRVFDVEXHNMA-NDENLUEZSA-N -1 1 503.467 3.732 40 10 KHCBMM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400931 1066833557 /nfs/dbraw/zinc/83/35/57/1066833557.db2.gz VRFHQWPKFCYUBY-NDENLUEZSA-N -1 1 503.467 3.732 40 10 KHCBMM COc1cc2c3c(c1)C(CN1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O ZINC001554503124 1066877595 /nfs/dbraw/zinc/87/75/95/1066877595.db2.gz GXUUMKUXPDWWEX-GYHWCHFESA-N -1 1 532.691 3.899 40 10 KHCBMM CC1(C)C=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)[N-]C1=O ZINC001554503134 1066877666 /nfs/dbraw/zinc/87/76/66/1066877666.db2.gz HGKQCMQWMRXLOP-BZZOAKBMSA-N -1 1 578.691 3.753 40 10 KHCBMM COc1cc2c3c(c1)C(CN1CCN(Cc4ccc5c(c4)OCO5)CC1)=CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O ZINC001554503156 1066877783 /nfs/dbraw/zinc/87/77/83/1066877783.db2.gz KYUHDDKVEQYGBM-LCUIJRPUSA-N -1 1 590.727 3.623 40 10 KHCBMM