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)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000002518757 552126725 /nfs/dbraw/zinc/12/67/25/552126725.db2.gz STHXXHHMALVKOC-JAIQZWGSSA-N -1 1 567.417 4.566 40 10 KJCBMM Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)[N-]c5nccs5)cc4)o3)C2=O)cc1Cl ZINC000008442296 553043327 /nfs/dbraw/zinc/04/33/27/553043327.db2.gz UDCWCXAFKZOYDF-UYRXBGFRSA-N -1 1 541.010 4.627 40 10 KJCBMM CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000008974134 553195796 /nfs/dbraw/zinc/19/57/96/553195796.db2.gz NMVYLYFHYOYPMB-KRWDZBQOSA-N -1 1 501.504 4.574 40 10 KJCBMM CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000008974136 553195749 /nfs/dbraw/zinc/19/57/49/553195749.db2.gz NMVYLYFHYOYPMB-QGZVFWFLSA-N -1 1 501.504 4.574 40 10 KJCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000009263211 553228645 /nfs/dbraw/zinc/22/86/45/553228645.db2.gz JQSCAQKLWAYXRY-UNOMPAQXSA-N -1 1 507.999 4.894 40 10 KJCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000009265230 553229840 /nfs/dbraw/zinc/22/98/40/553229840.db2.gz WVQQOQWXDVGXPQ-ZDLGFXPLSA-N -1 1 511.962 4.725 40 10 KJCBMM CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4[O-])[C@@H]3C2=O)cc1 ZINC000009312892 553240754 /nfs/dbraw/zinc/24/07/54/553240754.db2.gz JOIKJQPYKCXRGS-NXCFDTQHSA-N -1 1 517.538 4.921 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000009969794 553322296 /nfs/dbraw/zinc/32/22/96/553322296.db2.gz ZDBYVNPIWGPEGT-UHFFFAOYSA-N -1 1 503.020 4.543 40 10 KJCBMM CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4[O-])[C@@H]3C2=O)cc1 ZINC000013751001 553487921 /nfs/dbraw/zinc/48/79/21/553487921.db2.gz JOIKJQPYKCXRGS-GSDHBNRESA-N -1 1 517.538 4.921 40 10 KJCBMM COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020288852 571360610 /nfs/dbraw/zinc/36/06/10/571360610.db2.gz YQAFWQSLGGRHAH-UQQQWYQISA-N -1 1 503.555 4.867 40 10 KJCBMM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020288857 571360596 /nfs/dbraw/zinc/36/05/96/571360596.db2.gz PTJFUOIGEGQUST-JLPGSUDCSA-N -1 1 518.526 4.766 40 10 KJCBMM COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000034201522 553981153 /nfs/dbraw/zinc/98/11/53/553981153.db2.gz LHDFQBXXSIPTMX-BKUYFWCQSA-N -1 1 518.547 4.653 40 10 KJCBMM CC(C)(c1ccccc1)c1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)cc1 ZINC000041077958 554293813 /nfs/dbraw/zinc/29/38/13/554293813.db2.gz UABIJWWXOZEPIK-UHFFFAOYSA-N -1 1 509.631 4.961 40 10 KJCBMM O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1 ZINC000059135691 554381729 /nfs/dbraw/zinc/38/17/29/554381729.db2.gz IICDYWAFBFFJCH-WEVVVXLNSA-N -1 1 500.143 4.728 40 10 KJCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000059248798 554387160 /nfs/dbraw/zinc/38/71/60/554387160.db2.gz BTOZMFVXWVMGNF-CIAFOILYSA-N -1 1 507.999 4.839 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059249395 554387154 /nfs/dbraw/zinc/38/71/54/554387154.db2.gz ZBKJJTAUXHYPIS-SRZZPIQSSA-N -1 1 507.999 4.894 40 10 KJCBMM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)C(=O)NC1=S ZINC000059249429 554387135 /nfs/dbraw/zinc/38/71/35/554387135.db2.gz UUUAMJWCRAAVKD-UDWIEESQSA-N -1 1 507.999 4.839 40 10 KJCBMM COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000100312597 554301515 /nfs/dbraw/zinc/30/15/15/554301515.db2.gz WANDIGSXSAGRBJ-NDENLUEZSA-N -1 1 567.417 4.566 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100378889 554361729 /nfs/dbraw/zinc/36/17/29/554361729.db2.gz PDRRVGGXVULFDS-CXUHLZMHSA-N -1 1 542.376 4.666 40 10 KJCBMM O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000100444596 554393965 /nfs/dbraw/zinc/39/39/65/554393965.db2.gz PPRLJROEFKLDRZ-ODLFYWEKSA-N -1 1 555.381 4.697 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000100955731 554539257 /nfs/dbraw/zinc/53/92/57/554539257.db2.gz BLAZOIHOSIQUTK-RGVLZGJSSA-N -1 1 537.912 4.598 40 10 KJCBMM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c1C)CCCC2 ZINC000100992589 554550357 /nfs/dbraw/zinc/55/03/57/554550357.db2.gz MCBILDNDXFFOAZ-STZFKDTASA-N -1 1 577.684 4.741 40 10 KJCBMM CCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4[O-])N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101029060 554564604 /nfs/dbraw/zinc/56/46/04/554564604.db2.gz JOIKJQPYKCXRGS-ZNZIZOMTSA-N -1 1 517.538 4.921 40 10 KJCBMM CCCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1 ZINC000101029062 554564660 /nfs/dbraw/zinc/56/46/60/554564660.db2.gz JOIKJQPYKCXRGS-CYXNTTPDSA-N -1 1 517.538 4.921 40 10 KJCBMM CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)cc2)s1 ZINC000101123426 554644101 /nfs/dbraw/zinc/64/41/01/554644101.db2.gz UERAIRYTXCZKJR-LDADJPATSA-N -1 1 575.514 4.999 40 10 KJCBMM COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c(I)c(Br)c1[O-] ZINC000101602711 554804477 /nfs/dbraw/zinc/80/44/77/554804477.db2.gz MOUCJZFVHJFLHX-RIYZIHGNSA-N -1 1 527.156 4.882 40 10 KJCBMM Cc1ccc(CN2C(=N)N(c3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c(O)c3)C(C)(C)N2O)cc1 ZINC000102946298 555171888 /nfs/dbraw/zinc/17/18/88/555171888.db2.gz XROWTMALTOZUDV-GREWLJLZSA-N -1 1 510.576 4.962 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2nnc(Cc3cccc4ccccc43)n2-c2ccccc2)o1 ZINC000103757679 555470329 /nfs/dbraw/zinc/47/03/29/555470329.db2.gz DLBTYARLJXOMMK-UHFFFAOYSA-N -1 1 537.626 4.670 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103760780 555471369 /nfs/dbraw/zinc/47/13/69/555471369.db2.gz GFCLEDJRTBFGNO-UHFFFAOYSA-N -1 1 530.227 4.648 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)NC1=S ZINC000103843654 571362780 /nfs/dbraw/zinc/36/27/80/571362780.db2.gz ROSSLWOKBRFQNT-DEDYPNTBSA-N -1 1 551.418 4.866 40 10 KJCBMM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000103844237 571362902 /nfs/dbraw/zinc/36/29/02/571362902.db2.gz TVYJXPMVEYAYJQ-UDWIEESQSA-N -1 1 537.391 4.558 40 10 KJCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851559 571365011 /nfs/dbraw/zinc/36/50/11/571365011.db2.gz ILFQLGSOKYIFCS-GZTJUZNOSA-N -1 1 555.381 4.697 40 10 KJCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000103851923 571365099 /nfs/dbraw/zinc/36/50/99/571365099.db2.gz NNFYIZTVHQAVEZ-GZTJUZNOSA-N -1 1 602.381 4.539 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852046 571365330 /nfs/dbraw/zinc/36/53/30/571365330.db2.gz SSOUNGKEVUWNAD-LICLKQGHSA-N -1 1 540.956 4.596 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852118 571365346 /nfs/dbraw/zinc/36/53/46/571365346.db2.gz RIIJDYRZRYEUHE-LICLKQGHSA-N -1 1 585.407 4.705 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103852227 571365508 /nfs/dbraw/zinc/36/55/08/571365508.db2.gz PMDOVKLCFKDKPM-LICLKQGHSA-N -1 1 585.407 4.705 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852568 571365451 /nfs/dbraw/zinc/36/54/51/571365451.db2.gz HCBQLLALYSOGQQ-WOJGMQOQSA-N -1 1 554.983 4.986 40 10 KJCBMM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000103853330 571365816 /nfs/dbraw/zinc/36/58/16/571365816.db2.gz NZQRASWQBFDJQW-LDADJPATSA-N -1 1 555.381 4.697 40 10 KJCBMM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000103860371 571367560 /nfs/dbraw/zinc/36/75/60/571367560.db2.gz GPIRRNNZJNDEEB-MHWRWJLKSA-N -1 1 531.771 4.892 40 10 KJCBMM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000103860401 571367578 /nfs/dbraw/zinc/36/75/78/571367578.db2.gz AOQRGODPSVLFMH-DEDYPNTBSA-N -1 1 537.391 4.558 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103866786 571368063 /nfs/dbraw/zinc/36/80/63/571368063.db2.gz FJMAYNGDHLLZND-UDWIEESQSA-N -1 1 567.417 4.566 40 10 KJCBMM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C(=O)NC2=S)c1 ZINC000103870316 571368200 /nfs/dbraw/zinc/36/82/00/571368200.db2.gz GQMGQWZIFNHEGG-SRZZPIQSSA-N -1 1 523.998 4.676 40 10 KJCBMM CC(=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917329 571369597 /nfs/dbraw/zinc/36/95/97/571369597.db2.gz VMHPRAIISDLMLL-JCMHNJIXSA-N -1 1 504.597 4.601 40 10 KJCBMM CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103921114 571369694 /nfs/dbraw/zinc/36/96/94/571369694.db2.gz HATMLIFDAHUJLZ-QQTULTPQSA-N -1 1 524.606 4.723 40 10 KJCBMM COc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)=Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2=O)cc1 ZINC000103921120 1066371231 /nfs/dbraw/zinc/37/12/31/1066371231.db2.gz DAKZWLGUVRWNEE-QOMWVZHYSA-N -1 1 554.632 4.731 40 10 KJCBMM CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000103921126 571369742 /nfs/dbraw/zinc/36/97/42/571369742.db2.gz JDVJDYQNAJAXLO-PLRJNAJWSA-N -1 1 542.596 4.862 40 10 KJCBMM CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000103921142 571369634 /nfs/dbraw/zinc/36/96/34/571369634.db2.gz CILUBUXQGRVVMT-PLRJNAJWSA-N -1 1 569.603 4.631 40 10 KJCBMM CC(=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000103921236 571369698 /nfs/dbraw/zinc/36/96/98/571369698.db2.gz BGTGNCRSLPGNRU-XHPQRKPJSA-N -1 1 554.588 4.928 40 10 KJCBMM CC(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000103921236 571369697 /nfs/dbraw/zinc/36/96/97/571369697.db2.gz BGTGNCRSLPGNRU-XHPQRKPJSA-N -1 1 554.588 4.928 40 10 KJCBMM COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000103922560 1066371187 /nfs/dbraw/zinc/37/11/87/1066371187.db2.gz FOEMIMIJNZRDGL-QOMWVZHYSA-N -1 1 554.632 4.731 40 10 KJCBMM COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000103922564 1066371092 /nfs/dbraw/zinc/37/10/92/1066371092.db2.gz OFYKGFNTJARDKF-OOAXWGSJSA-N -1 1 584.658 4.740 40 10 KJCBMM COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000103922570 1066371122 /nfs/dbraw/zinc/37/11/22/1066371122.db2.gz DMVJERAUHXRVBL-XHPQRKPJSA-N -1 1 572.622 4.871 40 10 KJCBMM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000103922583 1066371152 /nfs/dbraw/zinc/37/11/52/1066371152.db2.gz JNUMQKMJEMLHQQ-XHPQRKPJSA-N -1 1 599.629 4.640 40 10 KJCBMM CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000104881706 571387057 /nfs/dbraw/zinc/38/70/57/571387057.db2.gz PNFAWCQKWPCKEB-OVCLIPMQSA-N -1 1 520.811 4.891 40 10 KJCBMM CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000104881722 571387080 /nfs/dbraw/zinc/38/70/80/571387080.db2.gz JQSRLIKXHWJNNK-CIAFOILYSA-N -1 1 526.456 4.746 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000105496129 571405055 /nfs/dbraw/zinc/40/50/55/571405055.db2.gz FORYXILQDFDGBW-UHFFFAOYSA-N -1 1 546.240 4.858 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000105496142 571405102 /nfs/dbraw/zinc/40/51/02/571405102.db2.gz QVXPJMHXBGXXSE-UHFFFAOYSA-N -1 1 595.147 4.845 40 10 KJCBMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N1 ZINC000105496148 571405048 /nfs/dbraw/zinc/40/50/48/571405048.db2.gz VIOATJVFVJMNEH-UHFFFAOYSA-N -1 1 530.172 4.693 40 10 KJCBMM O=C1[N-]C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)N1 ZINC000105496148 571405047 /nfs/dbraw/zinc/40/50/47/571405047.db2.gz VIOATJVFVJMNEH-UHFFFAOYSA-N -1 1 530.172 4.693 40 10 KJCBMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1 ZINC000105496158 571405066 /nfs/dbraw/zinc/40/50/66/571405066.db2.gz PJPOFDIQYKXRIN-UHFFFAOYSA-N -1 1 579.079 4.680 40 10 KJCBMM O=C1[N-]C(=O)/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1 ZINC000105496158 571405065 /nfs/dbraw/zinc/40/50/65/571405065.db2.gz PJPOFDIQYKXRIN-UHFFFAOYSA-N -1 1 579.079 4.680 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164402221 571547328 /nfs/dbraw/zinc/54/73/28/571547328.db2.gz CCGFJODCDYIMTK-LICLKQGHSA-N -1 1 632.407 4.547 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164407018 571547427 /nfs/dbraw/zinc/54/74/27/571547427.db2.gz FSKICAWQGJSWAM-WOJGMQOQSA-N -1 1 646.434 4.938 40 10 KJCBMM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000169328442 562858377 /nfs/dbraw/zinc/85/83/77/562858377.db2.gz VCENENVWDRBDBD-UHFFFAOYSA-N -1 1 521.598 4.902 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472387 571842826 /nfs/dbraw/zinc/84/28/26/571842826.db2.gz YRJMIXKCWYZTQC-CONSDPRKSA-N -1 1 632.812 4.883 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472425 571842712 /nfs/dbraw/zinc/84/27/12/571842712.db2.gz YRJMIXKCWYZTQC-JSOSNVBQSA-N -1 1 632.812 4.883 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472461 571842894 /nfs/dbraw/zinc/84/28/94/571842894.db2.gz YRJMIXKCWYZTQC-IOWSJCHKSA-N -1 1 632.812 4.883 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472499 571842731 /nfs/dbraw/zinc/84/27/31/571842731.db2.gz YRJMIXKCWYZTQC-FIRIVFDPSA-N -1 1 632.812 4.883 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225481170 571851627 /nfs/dbraw/zinc/85/16/27/571851627.db2.gz SSVOMPFRMWEZIF-SVBPBHIXSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225481193 571851733 /nfs/dbraw/zinc/85/17/33/571851733.db2.gz SSVOMPFRMWEZIF-SXOMAYOGSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225481214 571851574 /nfs/dbraw/zinc/85/15/74/571851574.db2.gz SSVOMPFRMWEZIF-RRPNLBNLSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225481231 571851679 /nfs/dbraw/zinc/85/16/79/571851679.db2.gz SSVOMPFRMWEZIF-KAYWLYCHSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481248 571851649 /nfs/dbraw/zinc/85/16/49/571851649.db2.gz GBFIKAXQZDFKPZ-SVBPBHIXSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481260 571851598 /nfs/dbraw/zinc/85/15/98/571851598.db2.gz GBFIKAXQZDFKPZ-SXOMAYOGSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481278 571851712 /nfs/dbraw/zinc/85/17/12/571851712.db2.gz GBFIKAXQZDFKPZ-RRPNLBNLSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481299 571851606 /nfs/dbraw/zinc/85/16/06/571851606.db2.gz GBFIKAXQZDFKPZ-KAYWLYCHSA-N -1 1 563.705 4.752 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1[N-]S(C)(=O)=O ZINC000225483230 571853893 /nfs/dbraw/zinc/85/38/93/571853893.db2.gz PIQGCEHKDKXAIQ-NSOVKSMOSA-N -1 1 591.715 4.775 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1[N-]S(C)(=O)=O ZINC000225483266 571853718 /nfs/dbraw/zinc/85/37/18/571853718.db2.gz PIQGCEHKDKXAIQ-IZLXSDGUSA-N -1 1 591.715 4.775 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1[N-]S(C)(=O)=O ZINC000225483298 571853733 /nfs/dbraw/zinc/85/37/33/571853733.db2.gz PIQGCEHKDKXAIQ-WUFINQPMSA-N -1 1 591.715 4.775 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1[N-]S(C)(=O)=O ZINC000225483333 571853707 /nfs/dbraw/zinc/85/37/07/571853707.db2.gz PIQGCEHKDKXAIQ-VSGBNLITSA-N -1 1 591.715 4.775 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225483578 571854284 /nfs/dbraw/zinc/85/42/84/571854284.db2.gz SKRJETLPDCHZGU-NSOVKSMOSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225483613 571854324 /nfs/dbraw/zinc/85/43/24/571854324.db2.gz SKRJETLPDCHZGU-IZLXSDGUSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225483652 571854267 /nfs/dbraw/zinc/85/42/67/571854267.db2.gz SKRJETLPDCHZGU-WUFINQPMSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225483684 571854166 /nfs/dbraw/zinc/85/41/66/571854166.db2.gz SKRJETLPDCHZGU-VSGBNLITSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483734 571854101 /nfs/dbraw/zinc/85/41/01/571854101.db2.gz OXFQXKMBURJVMJ-VSGBNLITSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483767 571854334 /nfs/dbraw/zinc/85/43/34/571854334.db2.gz OXFQXKMBURJVMJ-IZLXSDGUSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483807 571854160 /nfs/dbraw/zinc/85/41/60/571854160.db2.gz OXFQXKMBURJVMJ-WUFINQPMSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 ZINC000225483842 571854219 /nfs/dbraw/zinc/85/42/19/571854219.db2.gz OXFQXKMBURJVMJ-NSOVKSMOSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484350 571854761 /nfs/dbraw/zinc/85/47/61/571854761.db2.gz DMJDBLZTBYNQKL-NSOVKSMOSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484383 571854769 /nfs/dbraw/zinc/85/47/69/571854769.db2.gz DMJDBLZTBYNQKL-IZLXSDGUSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484418 571855351 /nfs/dbraw/zinc/85/53/51/571855351.db2.gz DMJDBLZTBYNQKL-WUFINQPMSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484450 571855307 /nfs/dbraw/zinc/85/53/07/571855307.db2.gz DMJDBLZTBYNQKL-VSGBNLITSA-N -1 1 622.729 4.963 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225484659 571855205 /nfs/dbraw/zinc/85/52/05/571855205.db2.gz ODSIQGXYYGIIRP-SVBPBHIXSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225484685 571855257 /nfs/dbraw/zinc/85/52/57/571855257.db2.gz ODSIQGXYYGIIRP-SXOMAYOGSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225484722 571855378 /nfs/dbraw/zinc/85/53/78/571855378.db2.gz ODSIQGXYYGIIRP-RRPNLBNLSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225484752 571855324 /nfs/dbraw/zinc/85/53/24/571855324.db2.gz ODSIQGXYYGIIRP-KAYWLYCHSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225484806 571855235 /nfs/dbraw/zinc/85/52/35/571855235.db2.gz CPZGHOKTYUQTHE-UIOOFZCWSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225484843 571855366 /nfs/dbraw/zinc/85/53/66/571855366.db2.gz CPZGHOKTYUQTHE-FTJBHMTQSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225484886 571855370 /nfs/dbraw/zinc/85/53/70/571855370.db2.gz CPZGHOKTYUQTHE-IZZNHLLZSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225484925 571855742 /nfs/dbraw/zinc/85/57/42/571855742.db2.gz CPZGHOKTYUQTHE-CLJLJLNGSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225484967 571855733 /nfs/dbraw/zinc/85/57/33/571855733.db2.gz MZOBSRVFSFVDBX-SVBPBHIXSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225484999 571855618 /nfs/dbraw/zinc/85/56/18/571855618.db2.gz MZOBSRVFSFVDBX-SXOMAYOGSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225485032 571855707 /nfs/dbraw/zinc/85/57/07/571855707.db2.gz MZOBSRVFSFVDBX-RRPNLBNLSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1[N-]S(C)(=O)=O ZINC000225485067 571855691 /nfs/dbraw/zinc/85/56/91/571855691.db2.gz MZOBSRVFSFVDBX-KAYWLYCHSA-N -1 1 562.721 4.750 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000225493937 571863994 /nfs/dbraw/zinc/86/39/94/571863994.db2.gz AMKZUQPUUQPRSL-UIOOFZCWSA-N -1 1 533.679 4.738 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000225493973 571863836 /nfs/dbraw/zinc/86/38/36/571863836.db2.gz AMKZUQPUUQPRSL-FTJBHMTQSA-N -1 1 533.679 4.738 40 10 KJCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000225494008 571863901 /nfs/dbraw/zinc/86/39/01/571863901.db2.gz AMKZUQPUUQPRSL-IZZNHLLZSA-N -1 1 533.679 4.738 40 10 KJCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000225494049 571863980 /nfs/dbraw/zinc/86/39/80/571863980.db2.gz AMKZUQPUUQPRSL-CLJLJLNGSA-N -1 1 533.679 4.738 40 10 KJCBMM COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225494098 571863915 /nfs/dbraw/zinc/86/39/15/571863915.db2.gz DHXVWNKVNQIPSZ-KAYWLYCHSA-N -1 1 563.705 4.747 40 10 KJCBMM COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225494128 571863850 /nfs/dbraw/zinc/86/38/50/571863850.db2.gz DHXVWNKVNQIPSZ-SXOMAYOGSA-N -1 1 563.705 4.747 40 10 KJCBMM COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225494166 571864248 /nfs/dbraw/zinc/86/42/48/571864248.db2.gz DHXVWNKVNQIPSZ-RRPNLBNLSA-N -1 1 563.705 4.747 40 10 KJCBMM COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225494196 571864160 /nfs/dbraw/zinc/86/41/60/571864160.db2.gz DHXVWNKVNQIPSZ-SVBPBHIXSA-N -1 1 563.705 4.747 40 10 KJCBMM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225494396 571864238 /nfs/dbraw/zinc/86/42/38/571864238.db2.gz JAPWHNBTWDLPOM-VSGBNLITSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225494428 571864361 /nfs/dbraw/zinc/86/43/61/571864361.db2.gz JAPWHNBTWDLPOM-IZLXSDGUSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225494465 571864267 /nfs/dbraw/zinc/86/42/67/571864267.db2.gz JAPWHNBTWDLPOM-WUFINQPMSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225494505 571864332 /nfs/dbraw/zinc/86/43/32/571864332.db2.gz JAPWHNBTWDLPOM-NSOVKSMOSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225494551 571864398 /nfs/dbraw/zinc/86/43/98/571864398.db2.gz GENMSCLEGRTIII-VSGBNLITSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225494587 571864203 /nfs/dbraw/zinc/86/42/03/571864203.db2.gz GENMSCLEGRTIII-IZLXSDGUSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225494621 571864425 /nfs/dbraw/zinc/86/44/25/571864425.db2.gz GENMSCLEGRTIII-WUFINQPMSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225494655 571864412 /nfs/dbraw/zinc/86/44/12/571864412.db2.gz GENMSCLEGRTIII-NSOVKSMOSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225494696 571864391 /nfs/dbraw/zinc/86/43/91/571864391.db2.gz LGJBHCSEQWXFAP-VSGBNLITSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225494728 571864680 /nfs/dbraw/zinc/86/46/80/571864680.db2.gz LGJBHCSEQWXFAP-IZLXSDGUSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225494760 571864810 /nfs/dbraw/zinc/86/48/10/571864810.db2.gz LGJBHCSEQWXFAP-WUFINQPMSA-N -1 1 605.742 4.833 40 10 KJCBMM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225494794 571864644 /nfs/dbraw/zinc/86/46/44/571864644.db2.gz LGJBHCSEQWXFAP-NSOVKSMOSA-N -1 1 605.742 4.833 40 10 KJCBMM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000408527250 572159812 /nfs/dbraw/zinc/15/98/12/572159812.db2.gz DBJIHWUBNGPJCB-KOEQRZSOSA-N -1 1 603.726 4.991 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408527428 572160177 /nfs/dbraw/zinc/16/01/77/572160177.db2.gz ALRVXRJTWVEDCW-CHHVJCJISA-N -1 1 573.346 4.787 40 10 KJCBMM CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000408528610 572165035 /nfs/dbraw/zinc/16/50/35/572165035.db2.gz HXVDMJDQBVVNQR-PDGQHHTCSA-N -1 1 532.445 4.733 40 10 KJCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408529054 572166526 /nfs/dbraw/zinc/16/65/26/572166526.db2.gz GTNIRDBRDXAGRC-NVNXTCNLSA-N -1 1 501.342 4.507 40 10 KJCBMM CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000408529116 572167277 /nfs/dbraw/zinc/16/72/77/572167277.db2.gz GYZYJKNBVCCBQB-BKUYFWCQSA-N -1 1 511.007 4.575 40 10 KJCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000408529230 572167448 /nfs/dbraw/zinc/16/74/48/572167448.db2.gz ITANZIGZHLXVJH-QNGOZBTKSA-N -1 1 517.449 4.651 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408530511 572171791 /nfs/dbraw/zinc/17/17/91/572171791.db2.gz MAPXVPQETOECNT-SXGWCWSVSA-N -1 1 515.369 4.897 40 10 KJCBMM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000408530513 572171693 /nfs/dbraw/zinc/17/16/93/572171693.db2.gz MBIPPIKVOIGKDI-AUWJEWJLSA-N -1 1 549.287 4.777 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408530816 572173565 /nfs/dbraw/zinc/17/35/65/572173565.db2.gz NMYMDZWEDVVKAO-SXGWCWSVSA-N -1 1 515.369 4.897 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000408532153 572178719 /nfs/dbraw/zinc/17/87/19/572178719.db2.gz SNVTUBANBHNEMP-YVLHZVERSA-N -1 1 507.431 4.663 40 10 KJCBMM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000408533701 572184393 /nfs/dbraw/zinc/18/43/93/572184393.db2.gz OVDAOALRYHJSEC-QNGOZBTKSA-N -1 1 517.449 4.651 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536690 572192226 /nfs/dbraw/zinc/19/22/26/572192226.db2.gz AIYPOLWDDSPHEL-UHFFFAOYSA-N -1 1 597.487 4.929 40 10 KJCBMM COc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537204 572193681 /nfs/dbraw/zinc/19/36/81/572193681.db2.gz CTCOEERUCKUFAK-UHFFFAOYSA-N -1 1 583.460 4.539 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537407 572194452 /nfs/dbraw/zinc/19/44/52/572194452.db2.gz DRQVTGYZOFINTR-UHFFFAOYSA-N -1 1 532.618 4.556 40 10 KJCBMM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537416 572194461 /nfs/dbraw/zinc/19/44/61/572194461.db2.gz DVRLTZNIJZPHSQ-UHFFFAOYSA-N -1 1 581.419 4.764 40 10 KJCBMM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537416 572194460 /nfs/dbraw/zinc/19/44/60/572194460.db2.gz DVRLTZNIJZPHSQ-UHFFFAOYSA-N -1 1 581.419 4.764 40 10 KJCBMM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537962 572196647 /nfs/dbraw/zinc/19/66/47/572196647.db2.gz IPIQKRMOVSOTRS-UHFFFAOYSA-N -1 1 536.968 4.655 40 10 KJCBMM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537962 572196644 /nfs/dbraw/zinc/19/66/44/572196644.db2.gz IPIQKRMOVSOTRS-UHFFFAOYSA-N -1 1 536.968 4.655 40 10 KJCBMM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408537965 572196636 /nfs/dbraw/zinc/19/66/36/572196636.db2.gz IQJBLFKDJCLHQK-UHFFFAOYSA-N -1 1 506.942 4.646 40 10 KJCBMM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408537965 572196632 /nfs/dbraw/zinc/19/66/32/572196632.db2.gz IQJBLFKDJCLHQK-UHFFFAOYSA-N -1 1 506.942 4.646 40 10 KJCBMM CCOc1cc(COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408538082 572197070 /nfs/dbraw/zinc/19/70/70/572197070.db2.gz IVNZAMBQGSJLNS-UHFFFAOYSA-N -1 1 523.010 4.811 40 10 KJCBMM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408538343 572198037 /nfs/dbraw/zinc/19/80/37/572198037.db2.gz LHNVGIRHSGYSAC-UHFFFAOYSA-N -1 1 551.393 4.755 40 10 KJCBMM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408538343 572198036 /nfs/dbraw/zinc/19/80/36/572198036.db2.gz LHNVGIRHSGYSAC-UHFFFAOYSA-N -1 1 551.393 4.755 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538440 572198026 /nfs/dbraw/zinc/19/80/26/572198026.db2.gz MXKWJXQPRAVEPU-UHFFFAOYSA-N -1 1 536.968 4.655 40 10 KJCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538440 572198023 /nfs/dbraw/zinc/19/80/23/572198023.db2.gz MXKWJXQPRAVEPU-UHFFFAOYSA-N -1 1 536.968 4.655 40 10 KJCBMM COc1cc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408539106 572201073 /nfs/dbraw/zinc/20/10/73/572201073.db2.gz SUXNKKJYSIMHTB-UHFFFAOYSA-N -1 1 553.434 4.530 40 10 KJCBMM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539306 572201397 /nfs/dbraw/zinc/20/13/97/572201397.db2.gz VGQKTUAMBRTFCS-UHFFFAOYSA-N -1 1 527.360 4.909 40 10 KJCBMM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539306 572201395 /nfs/dbraw/zinc/20/13/95/572201395.db2.gz VGQKTUAMBRTFCS-UHFFFAOYSA-N -1 1 527.360 4.909 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539486 572202638 /nfs/dbraw/zinc/20/26/38/572202638.db2.gz WORCNJBEGYDYBM-UHFFFAOYSA-N -1 1 581.419 4.764 40 10 KJCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539486 572202635 /nfs/dbraw/zinc/20/26/35/572202635.db2.gz WORCNJBEGYDYBM-UHFFFAOYSA-N -1 1 581.419 4.764 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539669 572202866 /nfs/dbraw/zinc/20/28/66/572202866.db2.gz XXGSXGDISUZCNA-UHFFFAOYSA-N -1 1 553.036 4.820 40 10 KJCBMM CCOc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539732 572203403 /nfs/dbraw/zinc/20/34/03/572203403.db2.gz YIXPPXJHGQKUMX-UHFFFAOYSA-N -1 1 597.487 4.929 40 10 KJCBMM CCOc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539866 572203835 /nfs/dbraw/zinc/20/38/35/572203835.db2.gz ZQABDHSFLHEGQN-UHFFFAOYSA-N -1 1 553.036 4.820 40 10 KJCBMM CCOc1cc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408539898 572203742 /nfs/dbraw/zinc/20/37/42/572203742.db2.gz ZVYOBSYQCMPPRZ-UHFFFAOYSA-N -1 1 567.461 4.920 40 10 KJCBMM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)o1 ZINC000408542378 572210687 /nfs/dbraw/zinc/21/06/87/572210687.db2.gz IRJNKQSFEHOVJJ-YBFXNURJSA-N -1 1 550.390 4.575 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)NC1=S ZINC000408542686 572210673 /nfs/dbraw/zinc/21/06/73/572210673.db2.gz NDBFXIVWUFMYME-YBFXNURJSA-N -1 1 564.417 4.883 40 10 KJCBMM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)o1 ZINC000408544852 572216764 /nfs/dbraw/zinc/21/67/64/572216764.db2.gz XXSLFYNGCRMDII-VXLYETTFSA-N -1 1 550.390 4.575 40 10 KJCBMM COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 ZINC000408555639 572243044 /nfs/dbraw/zinc/24/30/44/572243044.db2.gz GRNXIPPNDKRZMA-UHFFFAOYSA-N -1 1 550.464 4.530 40 10 KJCBMM COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000408560018 572247168 /nfs/dbraw/zinc/24/71/68/572247168.db2.gz OCFPJBDALXCJPV-UHFFFAOYSA-N -1 1 550.464 4.530 40 10 KJCBMM COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3Cl)CC2)cc1 ZINC000408604920 572274278 /nfs/dbraw/zinc/27/42/78/572274278.db2.gz MEKOCFSFBAHWMA-UHFFFAOYSA-N -1 1 584.016 4.896 40 10 KJCBMM CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(OCc2ccc(I)cc2)c1 ZINC000408606835 572275065 /nfs/dbraw/zinc/27/50/65/572275065.db2.gz QYFXITUORRLGLL-XYOKQWHBSA-N -1 1 562.364 4.996 40 10 KJCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)[O-])n2)c1 ZINC000408630751 572286551 /nfs/dbraw/zinc/28/65/51/572286551.db2.gz AUGYCTLDFWZWCQ-AUEPDCJTSA-N -1 1 520.567 4.843 40 10 KJCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000408633542 572290218 /nfs/dbraw/zinc/29/02/18/572290218.db2.gz ZUABSEYPFKLVOG-YBFXNURJSA-N -1 1 501.952 4.860 40 10 KJCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1 ZINC000408633853 572290755 /nfs/dbraw/zinc/29/07/55/572290755.db2.gz PZSKRMCDMIAZRF-SRZZPIQSSA-N -1 1 511.560 4.605 40 10 KJCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(N(C)C)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408634189 572291101 /nfs/dbraw/zinc/29/11/01/572291101.db2.gz RVSCDGLJLLZHBJ-LSCVHKIXSA-N -1 1 505.394 4.535 40 10 KJCBMM COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)CC2)cc1 ZINC000408635654 572292743 /nfs/dbraw/zinc/29/27/43/572292743.db2.gz GSMOKBHBOPUZHL-UHFFFAOYSA-N -1 1 550.464 4.530 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408693910 1066533844 /nfs/dbraw/zinc/53/38/44/1066533844.db2.gz BCLKMXMUZQWGRG-YBFXNURJSA-N -1 1 557.397 4.529 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408695137 1066531145 /nfs/dbraw/zinc/53/11/45/1066531145.db2.gz QMCBJJMIKMTHFY-YBFXNURJSA-N -1 1 557.397 4.529 40 10 KJCBMM O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000408722115 1066561561 /nfs/dbraw/zinc/56/15/61/1066561561.db2.gz DZVIJFKULDCLOI-YCRREMRBSA-N -1 1 645.043 4.740 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)NC1=S ZINC000408739972 1066576151 /nfs/dbraw/zinc/57/61/51/1066576151.db2.gz CCSWPCNBZFOLEH-GZTJUZNOSA-N -1 1 511.353 4.547 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)NC1=S ZINC000408740474 1066575839 /nfs/dbraw/zinc/57/58/39/1066575839.db2.gz GGGPWYPVXJWWIB-VZUCSPMQSA-N -1 1 622.076 4.662 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)NC1=S ZINC000408740867 1066575567 /nfs/dbraw/zinc/57/55/67/1066575567.db2.gz ISWRIUFUZXRTCW-VZUCSPMQSA-N -1 1 575.076 4.819 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)NC1=S ZINC000408742174 1066574210 /nfs/dbraw/zinc/57/42/10/1066574210.db2.gz PZCULXPJNQVLKJ-VZUCSPMQSA-N -1 1 669.076 4.504 40 10 KJCBMM O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1Cl ZINC000408743770 1066573598 /nfs/dbraw/zinc/57/35/98/1066573598.db2.gz YBFKFFLQLDUOLO-YBEGLDIGSA-N -1 1 531.771 4.892 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)NC1=S ZINC000408744246 1066573795 /nfs/dbraw/zinc/57/37/95/1066573795.db2.gz ZDVMQORKTKOQEC-BOPFTXTBSA-N -1 1 511.353 4.547 40 10 KJCBMM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Br)c3O)C2=O)ccc1Br ZINC000408751688 1066581413 /nfs/dbraw/zinc/58/14/13/1066581413.db2.gz BQISXTLMYJQRLZ-WUXMJOGZSA-N -1 1 514.557 4.545 40 10 KJCBMM COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408755695 1066577728 /nfs/dbraw/zinc/57/77/28/1066577728.db2.gz MBHBKGSMOUPOSN-JAIQZWGSSA-N -1 1 567.417 4.566 40 10 KJCBMM COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408756179 1066577284 /nfs/dbraw/zinc/57/72/84/1066577284.db2.gz ODBLUAIWEOMFIL-NDENLUEZSA-N -1 1 581.444 4.875 40 10 KJCBMM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000408759077 1066584701 /nfs/dbraw/zinc/58/47/01/1066584701.db2.gz XKSNGNNSEBGDGM-MHWRWJLKSA-N -1 1 531.771 4.892 40 10 KJCBMM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3O)C2=O)ccc1Br ZINC000408761866 1066589107 /nfs/dbraw/zinc/58/91/07/1066589107.db2.gz HMSXUZACQYHGBV-SDQBBNPISA-N -1 1 514.557 4.545 40 10 KJCBMM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2Br)cc1 ZINC000408762322 1066589247 /nfs/dbraw/zinc/58/92/47/1066589247.db2.gz DPKICYQAPGINLJ-ZSOIEALJSA-N -1 1 549.287 4.777 40 10 KJCBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408763453 1066587957 /nfs/dbraw/zinc/58/79/57/1066587957.db2.gz FKNPKWSKVYRCFQ-UHFFFAOYSA-N -1 1 530.484 4.728 40 10 KJCBMM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408772201 1066229375 /nfs/dbraw/zinc/22/93/75/1066229375.db2.gz CKTUQYWNNSCQNL-UDWIEESQSA-N -1 1 598.418 4.708 40 10 KJCBMM Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)NC1=S ZINC000408773529 1066592631 /nfs/dbraw/zinc/59/26/31/1066592631.db2.gz LTKJDBMMIODBHU-XDHOZWIPSA-N -1 1 598.418 4.708 40 10 KJCBMM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408777614 1066599781 /nfs/dbraw/zinc/59/97/81/1066599781.db2.gz DFKXBIVTFGJEKM-FYJGNVAPSA-N -1 1 628.444 4.798 40 10 KJCBMM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2)c1 ZINC000408779673 1066599414 /nfs/dbraw/zinc/59/94/14/1066599414.db2.gz HJLIEORBYVIQCE-FYJGNVAPSA-N -1 1 537.391 4.558 40 10 KJCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)NC1=S ZINC000408779945 1066598730 /nfs/dbraw/zinc/59/87/30/1066598730.db2.gz OGVXCHJYQSVRJD-FYJGNVAPSA-N -1 1 551.418 4.866 40 10 KJCBMM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408781855 1066597983 /nfs/dbraw/zinc/59/79/83/1066597983.db2.gz FMTFZSLCCWINSA-CIAFOILYSA-N -1 1 628.444 4.798 40 10 KJCBMM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)NC1=S ZINC000408782807 1066603865 /nfs/dbraw/zinc/60/38/65/1066603865.db2.gz JRVKUBXYEFKQHX-DEDYPNTBSA-N -1 1 612.445 4.962 40 10 KJCBMM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2)c1 ZINC000408783003 1066231619 /nfs/dbraw/zinc/23/16/19/1066231619.db2.gz JESNYDKFJLILMM-CIAFOILYSA-N -1 1 537.391 4.558 40 10 KJCBMM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408783805 1066231692 /nfs/dbraw/zinc/23/16/92/1066231692.db2.gz RIJVSLJSLSVVHM-FYJGNVAPSA-N -1 1 612.445 4.962 40 10 KJCBMM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408786652 1066600401 /nfs/dbraw/zinc/60/04/01/1066600401.db2.gz LPRQVOSVJHSVNW-UDWIEESQSA-N -1 1 598.418 4.708 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408799709 1066612102 /nfs/dbraw/zinc/61/21/02/1066612102.db2.gz HTOWCDWCAHFIPA-UHFFFAOYSA-N -1 1 509.356 4.638 40 10 KJCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408799709 1066612097 /nfs/dbraw/zinc/61/20/97/1066612097.db2.gz HTOWCDWCAHFIPA-UHFFFAOYSA-N -1 1 509.356 4.638 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408811865 1066238545 /nfs/dbraw/zinc/23/85/45/1066238545.db2.gz ASVOIRMDNSAIJJ-VXLYETTFSA-N -1 1 514.390 4.930 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408817537 1066627131 /nfs/dbraw/zinc/62/71/31/1066627131.db2.gz NLCIHAVJRGBJKQ-DJKKODMXSA-N -1 1 514.390 4.930 40 10 KJCBMM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408844286 1066646199 /nfs/dbraw/zinc/64/61/99/1066646199.db2.gz HSAPXZQLMQAKFC-RUDMXATFSA-N -1 1 656.079 4.655 40 10 KJCBMM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408846263 1066644947 /nfs/dbraw/zinc/64/49/47/1066644947.db2.gz IBSRPAJZOUDKIH-RUDMXATFSA-N -1 1 520.177 4.595 40 10 KJCBMM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408847136 1066649918 /nfs/dbraw/zinc/64/99/18/1066649918.db2.gz PKVOHNTVEAWBME-RUDMXATFSA-N -1 1 609.079 4.813 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408848464 1066248664 /nfs/dbraw/zinc/24/86/64/1066248664.db2.gz QQLORTIKAKCYTO-RGVLZGJSSA-N -1 1 507.999 4.894 40 10 KJCBMM O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000408848792 1066250987 /nfs/dbraw/zinc/25/09/87/1066250987.db2.gz SSMCJYBOQZUURR-XBXARRHUSA-N -1 1 645.043 4.740 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408849099 1066656978 /nfs/dbraw/zinc/65/69/78/1066656978.db2.gz UPJRCYZZDZOIAW-GZTJUZNOSA-N -1 1 514.390 4.930 40 10 KJCBMM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408849870 1066251169 /nfs/dbraw/zinc/25/11/69/1066251169.db2.gz AAUNYLLPLCXXIF-RUDMXATFSA-N -1 1 564.628 4.704 40 10 KJCBMM O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1 ZINC000408850361 1066656146 /nfs/dbraw/zinc/65/61/46/1066656146.db2.gz MCWGAIVJDWQKPL-XBXARRHUSA-N -1 1 506.592 4.946 40 10 KJCBMM Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1C(=O)[O-] ZINC000408850664 1066251087 /nfs/dbraw/zinc/25/10/87/1066251087.db2.gz CGUJVANYMDPRNS-WOJGMQOQSA-N -1 1 511.353 4.547 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408850694 1066655652 /nfs/dbraw/zinc/65/56/52/1066655652.db2.gz COMYAVDTRLCENN-YBFXNURJSA-N -1 1 537.912 4.598 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000408850732 1066655687 /nfs/dbraw/zinc/65/56/87/1066655687.db2.gz DHCZKBXUJDETDN-LFIBNONCSA-N -1 1 514.390 4.930 40 10 KJCBMM O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1 ZINC000408850959 1066251961 /nfs/dbraw/zinc/25/19/61/1066251961.db2.gz HBARDLMZYYWCEO-XBXARRHUSA-N -1 1 598.043 4.897 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408851365 1066654861 /nfs/dbraw/zinc/65/48/61/1066654861.db2.gz BZUZDPGONLTIPS-GZTJUZNOSA-N -1 1 514.390 4.930 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408854371 1066653124 /nfs/dbraw/zinc/65/31/24/1066653124.db2.gz DHUHMKBNRKKIIT-SRZZPIQSSA-N -1 1 507.999 4.894 40 10 KJCBMM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000408858455 1066252611 /nfs/dbraw/zinc/25/26/11/1066252611.db2.gz SFWUCRRGHQGTBA-CIAFOILYSA-N -1 1 523.998 4.676 40 10 KJCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408859575 1066662586 /nfs/dbraw/zinc/66/25/86/1066662586.db2.gz VHHKLSZDIXQDOF-RGVLZGJSSA-N -1 1 582.363 4.707 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408859863 1066662261 /nfs/dbraw/zinc/66/22/61/1066662261.db2.gz ZZXGALILLZCYLK-UDWIEESQSA-N -1 1 581.444 4.875 40 10 KJCBMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408860129 1066661530 /nfs/dbraw/zinc/66/15/30/1066661530.db2.gz YEWDBKZXFKMMPY-IWBRXTOPSA-N -1 1 522.605 4.703 40 10 KJCBMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408860132 1066661459 /nfs/dbraw/zinc/66/14/59/1066661459.db2.gz YEWDBKZXFKMMPY-OZIJZHKYSA-N -1 1 522.605 4.703 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408870315 1066668473 /nfs/dbraw/zinc/66/84/73/1066668473.db2.gz UIVYABPIVQWEGB-UHFFFAOYSA-N -1 1 572.424 4.645 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408876201 1066256640 /nfs/dbraw/zinc/25/66/40/1066256640.db2.gz JXFOAFDJVWHCJQ-UHFFFAOYSA-N -1 1 530.227 4.648 40 10 KJCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408876760 1066664551 /nfs/dbraw/zinc/66/45/51/1066664551.db2.gz NKSXKMVMGWELQK-UHFFFAOYSA-N -1 1 525.424 4.803 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408887361 1066259116 /nfs/dbraw/zinc/25/91/16/1066259116.db2.gz 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1066744067 /nfs/dbraw/zinc/74/40/67/1066744067.db2.gz RUFIIKPCPSUZMK-UHFFFAOYSA-N -1 1 531.005 4.905 40 10 KJCBMM CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OCC)cc1 ZINC000408972093 1066744058 /nfs/dbraw/zinc/74/40/58/1066744058.db2.gz RUFIIKPCPSUZMK-UHFFFAOYSA-N -1 1 531.005 4.905 40 10 KJCBMM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)[N-]C(=S)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987202 1066294129 /nfs/dbraw/zinc/29/41/29/1066294129.db2.gz ATXUEMBXYUZBKN-UHFFFAOYSA-N -1 1 575.653 4.831 40 10 KJCBMM O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408992882 1066756467 /nfs/dbraw/zinc/75/64/67/1066756467.db2.gz UAICYRNIYAEHDD-UHFFFAOYSA-N -1 1 561.626 4.522 40 10 KJCBMM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408994501 1066755894 /nfs/dbraw/zinc/75/58/94/1066755894.db2.gz ZMNKHMFBYPXJQY-UHFFFAOYSA-N -1 1 575.653 4.831 40 10 KJCBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408994602 1066297683 /nfs/dbraw/zinc/29/76/83/1066297683.db2.gz ICVZNRSCPXGRLC-UHFFFAOYSA-N -1 1 500.407 4.894 40 10 KJCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994777 1066297939 /nfs/dbraw/zinc/29/79/39/1066297939.db2.gz JAJCEHLPTDSNOU-UHFFFAOYSA-N -1 1 579.028 4.855 40 10 KJCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994777 1066297927 /nfs/dbraw/zinc/29/79/27/1066297927.db2.gz JAJCEHLPTDSNOU-UHFFFAOYSA-N -1 1 579.028 4.855 40 10 KJCBMM O=C1[N-]C(=O)/C(=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000409043387 1066803930 /nfs/dbraw/zinc/80/39/30/1066803930.db2.gz QNFARXOBWULKNL-UHFFFAOYSA-N -1 1 549.002 4.847 40 10 KJCBMM O=C1[N-]C(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000409043387 1066803917 /nfs/dbraw/zinc/80/39/17/1066803917.db2.gz QNFARXOBWULKNL-UHFFFAOYSA-N -1 1 549.002 4.847 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409048204 1066822174 /nfs/dbraw/zinc/82/21/74/1066822174.db2.gz RHWHPVWFVKPVBY-UHFFFAOYSA-N -1 1 546.240 4.858 40 10 KJCBMM O=C1[N-]C(=O)/C(=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C(=O)N1 ZINC000409055036 1066816096 /nfs/dbraw/zinc/81/60/96/1066816096.db2.gz HRXKVGFHLOYVTL-UHFFFAOYSA-N -1 1 530.172 4.693 40 10 KJCBMM O=C1[N-]C(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C(=O)N1 ZINC000409055036 1066816089 /nfs/dbraw/zinc/81/60/89/1066816089.db2.gz HRXKVGFHLOYVTL-UHFFFAOYSA-N -1 1 530.172 4.693 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409073376 1066838311 /nfs/dbraw/zinc/83/83/11/1066838311.db2.gz YJFGRCJTJREHAL-YBFXNURJSA-N -1 1 507.999 4.894 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082915 1066319657 /nfs/dbraw/zinc/31/96/57/1066319657.db2.gz UDCGKTNTWYEMKW-UHFFFAOYSA-N -1 1 595.147 4.845 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409083273 1066853779 /nfs/dbraw/zinc/85/37/79/1066853779.db2.gz UZVCKXYQGQDNTN-UHFFFAOYSA-N -1 1 506.245 4.627 40 10 KJCBMM O=C1[N-]C(=O)/C(=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409083984 1066852883 /nfs/dbraw/zinc/85/28/83/1066852883.db2.gz UZXPOXCVIQGHFR-UHFFFAOYSA-N -1 1 579.079 4.680 40 10 KJCBMM O=C1[N-]C(=O)/C(=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409083984 1066852871 /nfs/dbraw/zinc/85/28/71/1066852871.db2.gz UZXPOXCVIQGHFR-UHFFFAOYSA-N -1 1 579.079 4.680 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088137 1066203902 /nfs/dbraw/zinc/20/39/02/1066203902.db2.gz DOYZERNFWPWXFQ-UHFFFAOYSA-N -1 1 506.245 4.627 40 10 KJCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409092052 1066864038 /nfs/dbraw/zinc/86/40/38/1066864038.db2.gz SNORJOQLORYRNV-UHFFFAOYSA-N -1 1 640.240 4.542 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409095930 1066858825 /nfs/dbraw/zinc/85/88/25/1066858825.db2.gz DXZKTRDHSSNMBE-XDHOZWIPSA-N -1 1 507.999 4.894 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409135931 1066904062 /nfs/dbraw/zinc/90/40/62/1066904062.db2.gz WPFCLCLUCZRMLV-BUVRLJJBSA-N -1 1 588.613 4.822 40 10 KJCBMM CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000409142224 1066913330 /nfs/dbraw/zinc/91/33/30/1066913330.db2.gz CJVIZQWRINFWHF-GZTJUZNOSA-N -1 1 532.847 4.783 40 10 KJCBMM CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000409144482 1066911140 /nfs/dbraw/zinc/91/11/40/1066911140.db2.gz LICNRCBUZCDSSV-AUWJEWJLSA-N -1 1 506.784 4.501 40 10 KJCBMM CN1C(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000409149733 1066926375 /nfs/dbraw/zinc/92/63/75/1066926375.db2.gz OWNULGHPWMZLKE-BOPFTXTBSA-N -1 1 532.847 4.783 40 10 KJCBMM CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000409160788 1066933109 /nfs/dbraw/zinc/93/31/09/1066933109.db2.gz IZWPPXPZNYYYCA-RQZCQDPDSA-N -1 1 502.821 4.752 40 10 KJCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187202 1066334339 /nfs/dbraw/zinc/33/43/39/1066334339.db2.gz NIMZTCVGHMEWSY-DEDYPNTBSA-N -1 1 567.417 4.566 40 10 KJCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187256 1066945553 /nfs/dbraw/zinc/94/55/53/1066945553.db2.gz OCLOHHYRFHNUIL-UDWIEESQSA-N -1 1 567.417 4.566 40 10 KJCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188014 1066956456 /nfs/dbraw/zinc/95/64/56/1066956456.db2.gz WIGSJSOMTFOYKN-DEDYPNTBSA-N -1 1 581.444 4.875 40 10 KJCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409188629 1066956398 /nfs/dbraw/zinc/95/63/98/1066956398.db2.gz IIBRIBWXAIKDIB-LPYMAVHISA-N -1 1 515.978 4.873 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409188772 1066956374 /nfs/dbraw/zinc/95/63/74/1066956374.db2.gz AJBUBRBEGUSXDQ-UDWIEESQSA-N -1 1 538.423 4.695 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c([O-])c(Br)c3)C2=O)cc1OCC ZINC000409189032 1066334962 /nfs/dbraw/zinc/33/49/62/1066334962.db2.gz HMRGCVAJFCYZIB-OVCLIPMQSA-N -1 1 582.245 4.767 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1OCC ZINC000409189659 1066956075 /nfs/dbraw/zinc/95/60/75/1066956075.db2.gz MKDMOPZBZLAJEB-LZYBPNLTSA-N -1 1 640.281 4.525 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409190288 1066955586 /nfs/dbraw/zinc/95/55/86/1066955586.db2.gz RNBALWVGGIZJMM-VCHYOVAHSA-N -1 1 542.386 4.525 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409190423 1066955664 /nfs/dbraw/zinc/95/56/64/1066955664.db2.gz MWPAJLJCTFXZAN-JJIBRWJFSA-N -1 1 558.587 4.813 40 10 KJCBMM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1 ZINC000409190695 1066955297 /nfs/dbraw/zinc/95/52/97/1066955297.db2.gz PXEMPCAZVCRWBR-LFVJCYFKSA-N -1 1 501.608 4.966 40 10 KJCBMM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c1C)CCCC2 ZINC000409191310 1066954777 /nfs/dbraw/zinc/95/47/77/1066954777.db2.gz VDJMZPHQQIVUFM-KGENOOAVSA-N -1 1 577.684 4.741 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1OCC ZINC000409191943 1066953907 /nfs/dbraw/zinc/95/39/07/1066953907.db2.gz QUBOMQGLOPPJSS-XYGWBWBKSA-N -1 1 558.587 4.813 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409192126 1066953854 /nfs/dbraw/zinc/95/38/54/1066953854.db2.gz AQVNFQVKCYDISS-ZVHZXABRSA-N -1 1 583.582 4.719 40 10 KJCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000409192860 1066953467 /nfs/dbraw/zinc/95/34/67/1066953467.db2.gz GETFJSNTWPIGKV-XNTDXEJSSA-N -1 1 531.771 4.892 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409193038 1066953488 /nfs/dbraw/zinc/95/34/88/1066953488.db2.gz HKBQARGKQLGBDH-GZTJUZNOSA-N -1 1 514.390 4.930 40 10 KJCBMM Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)c(Br)c1 ZINC000409193695 1066335352 /nfs/dbraw/zinc/33/53/52/1066335352.db2.gz LJHAXRSTYAJYMJ-BOPFTXTBSA-N -1 1 511.353 4.547 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409194087 1066952661 /nfs/dbraw/zinc/95/26/61/1066952661.db2.gz NOFFEICQTOXAGR-VCHYOVAHSA-N -1 1 514.390 4.930 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409194225 1066952730 /nfs/dbraw/zinc/95/27/30/1066952730.db2.gz PFYBVCKNJPFRGR-VCHYOVAHSA-N -1 1 514.390 4.930 40 10 KJCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409194420 1066335296 /nfs/dbraw/zinc/33/52/96/1066335296.db2.gz LEXDHWAJPBPFRG-NDENLUEZSA-N -1 1 585.423 4.537 40 10 KJCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409195073 1066336114 /nfs/dbraw/zinc/33/61/14/1066336114.db2.gz REQRPXNAKSFUHE-FYJGNVAPSA-N -1 1 515.978 4.873 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409195587 1066951137 /nfs/dbraw/zinc/95/11/37/1066951137.db2.gz UEKUSJYKVMQCDY-BUVRLJJBSA-N -1 1 588.613 4.822 40 10 KJCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409195617 1066951088 /nfs/dbraw/zinc/95/10/88/1066951088.db2.gz UJICBDOUBBWRDS-ZDLGFXPLSA-N -1 1 514.390 4.930 40 10 KJCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1OCC ZINC000409196321 1066950653 /nfs/dbraw/zinc/95/06/53/1066950653.db2.gz YYCKJVMHOQTRLK-PCLIKHOPSA-N -1 1 558.587 4.813 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409211670 1066965909 /nfs/dbraw/zinc/96/59/09/1066965909.db2.gz NQZMMHDBWXTVIM-LICLKQGHSA-N -1 1 514.390 4.930 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409213233 1066965947 /nfs/dbraw/zinc/96/59/47/1066965947.db2.gz RUKXHMRROZFQLR-XDHOZWIPSA-N -1 1 538.423 4.695 40 10 KJCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409220738 1066970647 /nfs/dbraw/zinc/97/06/47/1066970647.db2.gz FDHXSSDIUKKSKU-MFOYZWKCSA-N -1 1 568.458 4.731 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409221256 1066970249 /nfs/dbraw/zinc/97/02/49/1066970249.db2.gz NOIOOXVCBYNDIP-RGVLZGJSSA-N -1 1 513.497 4.642 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409227015 1066966609 /nfs/dbraw/zinc/96/66/09/1066966609.db2.gz OGXXXUNUQYJEDP-RGVLZGJSSA-N -1 1 527.524 4.951 40 10 KJCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409229862 1066972494 /nfs/dbraw/zinc/97/24/94/1066972494.db2.gz VOFBWUNQTSXFPD-APSNUPSMSA-N -1 1 574.849 4.768 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409231073 1066977879 /nfs/dbraw/zinc/97/78/79/1066977879.db2.gz ICDHSOOCHZIIKP-RGVLZGJSSA-N -1 1 527.524 4.951 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409233207 1066977066 /nfs/dbraw/zinc/97/70/66/1066977066.db2.gz DFYWIBQEAFXGBI-RGVLZGJSSA-N -1 1 513.497 4.642 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409233563 1066976514 /nfs/dbraw/zinc/97/65/14/1066976514.db2.gz LBIYFZYOQPMUCQ-ZDLGFXPLSA-N -1 1 568.458 4.813 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409234637 1066976222 /nfs/dbraw/zinc/97/62/22/1066976222.db2.gz OGONGLWNTQQQTC-RGVLZGJSSA-N -1 1 507.999 4.894 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409235814 1066975567 /nfs/dbraw/zinc/97/55/67/1066975567.db2.gz BXCIEKBZNJWXRO-RGVLZGJSSA-N -1 1 507.999 4.894 40 10 KJCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409236030 1066974987 /nfs/dbraw/zinc/97/49/87/1066974987.db2.gz RFRMDLDHUVZKPR-PXNMLYILSA-N -1 1 574.849 4.768 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409236253 1066974945 /nfs/dbraw/zinc/97/49/45/1066974945.db2.gz FRYBDNBBYDRTPP-KEBDBYFISA-N -1 1 507.999 4.894 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409236367 1066339846 /nfs/dbraw/zinc/33/98/46/1066339846.db2.gz FITDTZPQNBXGRC-WQRHYEAKSA-N -1 1 568.458 4.759 40 10 KJCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409237009 1066974598 /nfs/dbraw/zinc/97/45/98/1066974598.db2.gz UMNQSFMADKCKSG-PXNMLYILSA-N -1 1 574.849 4.850 40 10 KJCBMM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409237962 1066984002 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549.674 4.963 40 10 KJCBMM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409384605 1067096691 /nfs/dbraw/zinc/09/66/91/1067096691.db2.gz DHXSQXIWJBBJOH-BUVRLJJBSA-N -1 1 509.587 4.782 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385870 1066365958 /nfs/dbraw/zinc/36/59/58/1066365958.db2.gz NUJHMZNIZZHOQD-NTEUORMPSA-N -1 1 547.372 4.704 40 10 KJCBMM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000409386460 1067094483 /nfs/dbraw/zinc/09/44/83/1067094483.db2.gz QEAVWJVSDNULAP-DEDYPNTBSA-N -1 1 535.647 4.573 40 10 KJCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386621 1067094514 /nfs/dbraw/zinc/09/45/14/1067094514.db2.gz QSKYGZYVQHZBPU-SFQUDFHCSA-N -1 1 523.611 4.703 40 10 KJCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386627 1067094722 /nfs/dbraw/zinc/09/47/22/1067094722.db2.gz 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/nfs/dbraw/zinc/10/78/86/1067107886.db2.gz XVEGCZCPIJKONG-CIAFOILYSA-N -1 1 642.471 4.971 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000409398447 1066367223 /nfs/dbraw/zinc/36/72/23/1066367223.db2.gz AYEDLUCGEULHPU-QQXSKIMKSA-N -1 1 507.546 4.863 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000409399389 1067115609 /nfs/dbraw/zinc/11/56/09/1067115609.db2.gz HSFUDGDVORJZDO-IMRQLAEWSA-N -1 1 506.562 4.573 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000409399600 1066367619 /nfs/dbraw/zinc/36/76/19/1066367619.db2.gz KHBIHHWOXFZLLY-UQQQWYQISA-N -1 1 524.552 4.712 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000409399845 1067113906 /nfs/dbraw/zinc/11/39/06/1067113906.db2.gz NPKIZWZGOSEXIE-VEILYXNESA-N -1 1 520.589 4.881 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000409400204 1067113393 /nfs/dbraw/zinc/11/33/93/1067113393.db2.gz QNIZYIHOBXGNEX-YUMHPJSZSA-N -1 1 524.552 4.712 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000409400949 1067127330 /nfs/dbraw/zinc/12/73/30/1067127330.db2.gz WHZBMZJBMQPQEO-PKAZHMFMSA-N -1 1 524.552 4.712 40 10 KJCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000409401745 1066207925 /nfs/dbraw/zinc/20/79/25/1066207925.db2.gz ZOBSBOSJKGUMCO-IMRQLAEWSA-N -1 1 520.589 4.881 40 10 KJCBMM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403725 1067123536 /nfs/dbraw/zinc/12/35/36/1067123536.db2.gz AVSIVJIVKILTPB-NDENLUEZSA-N -1 1 537.366 4.586 40 10 KJCBMM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409406645 1067120025 /nfs/dbraw/zinc/12/00/25/1067120025.db2.gz KPFAINZAPULLFL-NDENLUEZSA-N -1 1 537.366 4.586 40 10 KJCBMM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 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