smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000408983420 556908208 /nfs/dbraw/zinc/90/82/08/556908208.db2.gz MABBQJZDVBWATN-MLPAPPSSSA-N -1 1 431.788 2.937 40 10 IFCBMM COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1C ZINC000409190940 556991671 /nfs/dbraw/zinc/99/16/71/556991671.db2.gz CAPXEESJBDDROJ-XNTDXEJSSA-N -1 1 426.450 2.542 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1C ZINC000409254883 557034475 /nfs/dbraw/zinc/03/44/75/557034475.db2.gz JJUKJKSATATBRU-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409392434 557096944 /nfs/dbraw/zinc/09/69/44/557096944.db2.gz PKYBUSPOWLARAV-LDADJPATSA-N -1 1 432.505 2.927 40 10 IFCBMM COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O ZINC000059104512 557814347 /nfs/dbraw/zinc/81/43/47/557814347.db2.gz VHFRTKIKROTJPP-LFYBBSHMSA-N -1 1 427.325 2.544 40 10 IFCBMM O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1cccc(Br)c1 ZINC000003032531 569437801 /nfs/dbraw/zinc/43/78/01/569437801.db2.gz XBVCLDGYCFQVLW-UHFFFAOYSA-N -1 1 431.267 2.583 40 10 IFCBMM CNS(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)c(OC)c3)c2=O)cc1 ZINC000408536458 555772097 /nfs/dbraw/zinc/77/20/97/555772097.db2.gz WNVYHKOBRFDZBD-WJDWOHSUSA-N -1 1 434.905 2.975 40 10 IFCBMM O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1ccccc1Br ZINC000408761788 556688048 /nfs/dbraw/zinc/68/80/48/556688048.db2.gz HPARHOPGUYGQNO-UHFFFAOYSA-N -1 1 431.267 2.583 40 10 IFCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409020585 556922127 /nfs/dbraw/zinc/92/21/27/556922127.db2.gz QUCFHJJTBKSHLW-LERPTODRSA-N -1 1 440.477 2.687 40 10 IFCBMM CCOc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)cc1 ZINC000409192646 556992531 /nfs/dbraw/zinc/99/25/31/556992531.db2.gz DFISQPQFYDATRH-LVLBFHFTSA-N -1 1 440.477 2.769 40 10 IFCBMM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1C ZINC000409198470 556995501 /nfs/dbraw/zinc/99/55/01/556995501.db2.gz GKPGTFAESYZJGF-ZSOIEALJSA-N -1 1 431.539 2.816 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000409225003 557013751 /nfs/dbraw/zinc/01/37/51/557013751.db2.gz NWJACEFUORBADC-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)c1 ZINC000409249876 557030193 /nfs/dbraw/zinc/03/01/93/557030193.db2.gz IZKHNSUXONJINQ-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)c1 ZINC000409249876 557030198 /nfs/dbraw/zinc/03/01/98/557030198.db2.gz IZKHNSUXONJINQ-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409241497 557031617 /nfs/dbraw/zinc/03/16/17/557031617.db2.gz XXNAVPJYVCQOJX-CDDSVFCYSA-N -1 1 444.440 2.518 40 10 IFCBMM CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(CC)C3=O)c2C)c1 ZINC000409390932 557095877 /nfs/dbraw/zinc/09/58/77/557095877.db2.gz GHAQEYUIGKIRKH-LDADJPATSA-N -1 1 425.510 2.917 40 10 IFCBMM CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[N-]C1=S ZINC000008383904 557169606 /nfs/dbraw/zinc/16/96/06/557169606.db2.gz QFOSNJZLETWKAF-XFFZJAGNSA-N -1 1 436.243 2.874 40 10 IFCBMM COc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000002594490 568788851 /nfs/dbraw/zinc/78/88/51/568788851.db2.gz WXTNXATVJGBGSQ-OOIIIRTPSA-N -1 1 426.450 2.790 40 10 IFCBMM O=C([O-])c1ccc(CNC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408550350 555863122 /nfs/dbraw/zinc/86/31/22/555863122.db2.gz GKQHSDOOTJZPQX-LCYFTJDESA-N -1 1 433.848 2.599 40 10 IFCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000408764852 556829416 /nfs/dbraw/zinc/82/94/16/556829416.db2.gz NKZGBNDTBFXNRE-UHFFFAOYSA-N -1 1 438.486 2.522 40 10 IFCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408808570 556861484 /nfs/dbraw/zinc/86/14/84/556861484.db2.gz JKSGCETVOLARNZ-UHFFFAOYSA-N -1 1 445.815 2.975 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408808570 556861486 /nfs/dbraw/zinc/86/14/86/556861486.db2.gz JKSGCETVOLARNZ-UHFFFAOYSA-N -1 1 445.815 2.975 40 10 IFCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408914483 556889833 /nfs/dbraw/zinc/88/98/33/556889833.db2.gz PZXMRTCCOWVNKI-MHWRWJLKSA-N -1 1 441.465 2.829 40 10 IFCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408981196 556907723 /nfs/dbraw/zinc/90/77/23/556907723.db2.gz ABKBIUJJUSSNMJ-XGICHPGQSA-N -1 1 431.788 2.937 40 10 IFCBMM COc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000409161287 556980922 /nfs/dbraw/zinc/98/09/22/556980922.db2.gz MKDJVJAMQZXHJJ-UYRXBGFRSA-N -1 1 435.505 2.985 40 10 IFCBMM COc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc21 ZINC000409162184 556981269 /nfs/dbraw/zinc/98/12/69/556981269.db2.gz SQIVIQLWOMAWLL-LGMDPLHJSA-N -1 1 435.505 2.985 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)cc1Cl ZINC000409250499 557030430 /nfs/dbraw/zinc/03/04/30/557030430.db2.gz MONRPTUYZMVYBE-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM CCOc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000113857970 557308305 /nfs/dbraw/zinc/30/83/05/557308305.db2.gz SGELOTYNQSSAPD-UHFFFAOYSA-N -1 1 434.109 2.525 40 10 IFCBMM CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)SC(=Cc2ccc(F)cc2)C1=O ZINC000016025039 568863983 /nfs/dbraw/zinc/86/39/83/568863983.db2.gz WJWFMZYHOBSUDB-LSCVHKIXSA-N -1 1 444.440 2.615 40 10 IFCBMM O=C([O-])c1ccc(O)c(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000408550641 555867674 /nfs/dbraw/zinc/86/76/74/555867674.db2.gz IQMWYDARKOPMPC-YFHOEESVSA-N -1 1 435.820 2.627 40 10 IFCBMM O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000408723297 556151025 /nfs/dbraw/zinc/15/10/25/556151025.db2.gz STPBXGJVCSQBKG-WUXMJOGZSA-N -1 1 448.800 2.693 40 10 IFCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2)c(=O)[nH]1 ZINC000017021139 556653379 /nfs/dbraw/zinc/65/33/79/556653379.db2.gz JTGRMOQVNQJUFW-FMQUCBEESA-N -1 1 438.520 2.862 40 10 IFCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408885375 556877921 /nfs/dbraw/zinc/87/79/21/556877921.db2.gz YWHHOZYKPBUQLT-UHFFFAOYSA-N -1 1 447.856 2.750 40 10 IFCBMM CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000408899374 556881946 /nfs/dbraw/zinc/88/19/46/556881946.db2.gz OUXARALLHYHGPY-CXUHLZMHSA-N -1 1 425.397 2.982 40 10 IFCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000408987226 556909851 /nfs/dbraw/zinc/90/98/51/556909851.db2.gz AWIXUWZFIWPPSE-UHFFFAOYSA-N -1 1 432.464 2.863 40 10 IFCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409020586 556922095 /nfs/dbraw/zinc/92/20/95/556922095.db2.gz QUCFHJJTBKSHLW-QQFZQELXSA-N -1 1 440.477 2.687 40 10 IFCBMM COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)NC1=S ZINC000409167787 556982768 /nfs/dbraw/zinc/98/27/68/556982768.db2.gz NDLMSBWBSNOWQQ-XNTDXEJSSA-N -1 1 435.461 2.566 40 10 IFCBMM COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409187926 556988412 /nfs/dbraw/zinc/98/84/12/556988412.db2.gz DFQGMGSQQJYLMV-NTUHNPAUSA-N -1 1 446.868 2.887 40 10 IFCBMM CCOc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)cc1 ZINC000409192647 556992438 /nfs/dbraw/zinc/99/24/38/556992438.db2.gz DFISQPQFYDATRH-VLURKWGBSA-N -1 1 440.477 2.769 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409239655 557021037 /nfs/dbraw/zinc/02/10/37/557021037.db2.gz IAOHZCOZXAPTOT-KWWJGWKXSA-N -1 1 440.477 2.687 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409244067 557033745 /nfs/dbraw/zinc/03/37/45/557033745.db2.gz WZNCJRXGUXTVQF-KWWJGWKXSA-N -1 1 440.477 2.687 40 10 IFCBMM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000409252028 557036970 /nfs/dbraw/zinc/03/69/70/557036970.db2.gz BFZAOCRVAZRSKR-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM CCOC(=O)COc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000409326353 557067316 /nfs/dbraw/zinc/06/73/16/557067316.db2.gz AUQVZGKGGOPCLR-IZZDOVSWSA-N -1 1 432.317 2.888 40 10 IFCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C(=O)[N-]C1=S ZINC000409392906 557097224 /nfs/dbraw/zinc/09/72/24/557097224.db2.gz UAWNJBLBAMLANG-LICLKQGHSA-N -1 1 425.510 2.836 40 10 IFCBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006198779 568792157 /nfs/dbraw/zinc/79/21/57/568792157.db2.gz RMIWZYOXWZLPNP-RCCKNPSSSA-N -1 1 440.525 2.734 40 10 IFCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1Cc1ccccc1Br ZINC000408867287 556873946 /nfs/dbraw/zinc/87/39/46/556873946.db2.gz KIKIRGGTHYIESN-UHFFFAOYSA-N -1 1 431.311 2.963 40 10 IFCBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(Cc2ccccc2Br)c1 ZINC000408874440 556875718 /nfs/dbraw/zinc/87/57/18/556875718.db2.gz BKPKJKXYOZCRNK-UHFFFAOYSA-N -1 1 431.311 2.963 40 10 IFCBMM CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000408887759 556879444 /nfs/dbraw/zinc/87/94/44/556879444.db2.gz TUMPTEMNLZQDHJ-YBEGLDIGSA-N -1 1 434.520 2.902 40 10 IFCBMM O=C(Oc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O)c1ccccc1 ZINC000408893179 556881837 /nfs/dbraw/zinc/88/18/37/556881837.db2.gz FXWUHRFHWBZBAP-UHFFFAOYSA-N -1 1 431.267 2.583 40 10 IFCBMM COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)cc1Cl ZINC000408911663 556888501 /nfs/dbraw/zinc/88/85/01/556888501.db2.gz BOQWHDPNYCDWCK-OVCLIPMQSA-N -1 1 431.901 2.791 40 10 IFCBMM CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000408917079 556888710 /nfs/dbraw/zinc/88/87/10/556888710.db2.gz MDXACCKNDQRZBY-DHDCSXOGSA-N -1 1 444.440 2.519 40 10 IFCBMM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C ZINC000408992370 556911931 /nfs/dbraw/zinc/91/19/31/556911931.db2.gz ASKHDZMBCWRHNM-UHFFFAOYSA-N -1 1 431.539 2.863 40 10 IFCBMM CCCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br ZINC000409048310 556931810 /nfs/dbraw/zinc/93/18/10/556931810.db2.gz SJJKDGQYCUAOCO-UHFFFAOYSA-N -1 1 448.136 2.915 40 10 IFCBMM CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)c1 ZINC000409194138 556993200 /nfs/dbraw/zinc/99/32/00/556993200.db2.gz NHEYRMKTSQWDRH-HNEYUBDGSA-N -1 1 440.477 2.769 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409244068 557033708 /nfs/dbraw/zinc/03/37/08/557033708.db2.gz WZNCJRXGUXTVQF-XDUBLRSXSA-N -1 1 440.477 2.687 40 10 IFCBMM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000409257330 557035397 /nfs/dbraw/zinc/03/53/97/557035397.db2.gz QCLQAHIWTMEQJU-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccccc1 ZINC000096193606 557182537 /nfs/dbraw/zinc/18/25/37/557182537.db2.gz UCNCRJWRISFWGZ-UHFFFAOYSA-N -1 1 447.310 2.951 40 10 IFCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000113831182 557307273 /nfs/dbraw/zinc/30/72/73/557307273.db2.gz GHTZJVRNKCPIGN-UHFFFAOYSA-N -1 1 447.310 2.951 40 10 IFCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408802001 556858805 /nfs/dbraw/zinc/85/88/05/556858805.db2.gz XRMUVKOZUDZAMQ-UHFFFAOYSA-N -1 1 445.815 2.975 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408802001 556858808 /nfs/dbraw/zinc/85/88/08/556858808.db2.gz XRMUVKOZUDZAMQ-UHFFFAOYSA-N -1 1 445.815 2.975 40 10 IFCBMM COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(OCc2ccccc2Br)c1 ZINC000408895596 556880942 /nfs/dbraw/zinc/88/09/42/556880942.db2.gz LMEPWNPWDAUEDE-UHFFFAOYSA-N -1 1 431.242 2.786 40 10 IFCBMM COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(OCc2ccccc2Br)c1 ZINC000408895596 556880946 /nfs/dbraw/zinc/88/09/46/556880946.db2.gz LMEPWNPWDAUEDE-UHFFFAOYSA-N -1 1 431.242 2.786 40 10 IFCBMM Cc1ccc(C(=O)Oc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000408895694 556880953 /nfs/dbraw/zinc/88/09/53/556880953.db2.gz NXXNAKPBWUQVRK-UHFFFAOYSA-N -1 1 445.294 2.891 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2Cl)cc1 ZINC000408911319 556888277 /nfs/dbraw/zinc/88/82/77/556888277.db2.gz MWXFCBPKOHYSKE-OQLLNIDSSA-N -1 1 443.912 2.922 40 10 IFCBMM CC(C)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br ZINC000409044980 556930331 /nfs/dbraw/zinc/93/03/31/556930331.db2.gz WWXGSYLWMMEYPJ-UHFFFAOYSA-N -1 1 446.095 2.996 40 10 IFCBMM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br ZINC000409044980 556930333 /nfs/dbraw/zinc/93/03/33/556930333.db2.gz WWXGSYLWMMEYPJ-UHFFFAOYSA-N -1 1 446.095 2.996 40 10 IFCBMM O=C1[N-]C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1 ZINC000409089003 556951192 /nfs/dbraw/zinc/95/11/92/556951192.db2.gz LJCZIOHGXPSUAS-UHFFFAOYSA-N -1 1 432.732 2.698 40 10 IFCBMM O=C1[N-]C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1 ZINC000409089003 556951195 /nfs/dbraw/zinc/95/11/95/556951195.db2.gz LJCZIOHGXPSUAS-UHFFFAOYSA-N -1 1 432.732 2.698 40 10 IFCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409195971 556994165 /nfs/dbraw/zinc/99/41/65/556994165.db2.gz XSJSPNUYDPQYCA-KPKJPENVSA-N -1 1 447.266 2.684 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c(C)c1 ZINC000409256227 557035061 /nfs/dbraw/zinc/03/50/61/557035061.db2.gz KSCUZFYXKSCNJN-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1C ZINC000409256891 557035070 /nfs/dbraw/zinc/03/50/70/557035070.db2.gz QNFAZGIATCSHEE-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)c1C ZINC000409262802 557040801 /nfs/dbraw/zinc/04/08/01/557040801.db2.gz HLKOWOMCGCJOKX-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)c1C ZINC000409262802 557040805 /nfs/dbraw/zinc/04/08/05/557040805.db2.gz HLKOWOMCGCJOKX-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl ZINC000409261382 557040935 /nfs/dbraw/zinc/04/09/35/557040935.db2.gz BCGGGQNOXLBDAF-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl ZINC000409261382 557040941 /nfs/dbraw/zinc/04/09/41/557040941.db2.gz BCGGGQNOXLBDAF-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM C[C@H](Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)[O-] ZINC000034721122 569260066 /nfs/dbraw/zinc/26/00/66/569260066.db2.gz NEVORFFATGWIHO-SAIXKJTDSA-N -1 1 431.242 2.762 40 10 IFCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1F ZINC000408872231 556875269 /nfs/dbraw/zinc/87/52/69/556875269.db2.gz BMZJSNJSKAEAMX-UHFFFAOYSA-N -1 1 433.233 2.937 40 10 IFCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1F ZINC000408872231 556875271 /nfs/dbraw/zinc/87/52/71/556875271.db2.gz BMZJSNJSKAEAMX-UHFFFAOYSA-N -1 1 433.233 2.937 40 10 IFCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409204101 557002947 /nfs/dbraw/zinc/00/29/47/557002947.db2.gz BBTXEKWHXKAIIN-LFYBBSHMSA-N -1 1 431.788 2.937 40 10 IFCBMM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1 ZINC000409225600 557013817 /nfs/dbraw/zinc/01/38/17/557013817.db2.gz RILIJUDCTXTRNT-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1 ZINC000409225600 557013821 /nfs/dbraw/zinc/01/38/21/557013821.db2.gz RILIJUDCTXTRNT-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1C ZINC000409249444 557030155 /nfs/dbraw/zinc/03/01/55/557030155.db2.gz ILDBKDOJCOMQBJ-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1C ZINC000409249444 557030161 /nfs/dbraw/zinc/03/01/61/557030161.db2.gz ILDBKDOJCOMQBJ-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM CCOc1cc(OCC)c(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc1Br ZINC000409391685 557096091 /nfs/dbraw/zinc/09/60/91/557096091.db2.gz KQILIJRXGIDWHX-YRNVUSSQSA-N -1 1 427.320 2.893 40 10 IFCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)[N-]C1=S ZINC000409392496 557096838 /nfs/dbraw/zinc/09/68/38/557096838.db2.gz PSPXIZFTGLPQST-OQLLNIDSSA-N -1 1 428.470 2.658 40 10 IFCBMM CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)c1 ZINC000059679753 557828534 /nfs/dbraw/zinc/82/85/34/557828534.db2.gz HTJGUGHRMRJHHS-VBEHJTROSA-N -1 1 440.477 2.769 40 10 IFCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032109518 568781513 /nfs/dbraw/zinc/78/15/13/568781513.db2.gz JTZAGZFKRLSRRN-UHFFFAOYSA-N -1 1 441.421 2.967 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032109518 568781514 /nfs/dbraw/zinc/78/15/14/568781514.db2.gz JTZAGZFKRLSRRN-UHFFFAOYSA-N -1 1 441.421 2.967 40 10 IFCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032109518 568781515 /nfs/dbraw/zinc/78/15/15/568781515.db2.gz JTZAGZFKRLSRRN-UHFFFAOYSA-N -1 1 441.421 2.967 40 10 IFCBMM CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000012412878 520899281 /nfs/dbraw/zinc/89/92/81/520899281.db2.gz HNPRTACGJSEJAN-GHXNOFRVSA-N -1 1 444.205 2.937 40 10 IFCBMM COC(=O)c1cccc(Cn2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c3ccccc32)c1 ZINC000408544540 555792410 /nfs/dbraw/zinc/79/24/10/555792410.db2.gz WZDOBSVYKMCABZ-WOJGMQOQSA-N -1 1 433.489 2.733 40 10 IFCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OC(C)=O ZINC000013915275 556661813 /nfs/dbraw/zinc/66/18/13/556661813.db2.gz CSMIIYIPBVTBDE-YHYXMXQVSA-N -1 1 435.264 2.714 40 10 IFCBMM COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=S)NC3=O)c1C)CCCC2 ZINC000408775630 556848697 /nfs/dbraw/zinc/84/86/97/556848697.db2.gz IPXXXGCIMMGTFS-UHFFFAOYSA-N -1 1 443.550 2.735 40 10 IFCBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccccc2Br)c1 ZINC000408900004 556882045 /nfs/dbraw/zinc/88/20/45/556882045.db2.gz SFBFLODWHYKJQV-UHFFFAOYSA-N -1 1 447.310 2.951 40 10 IFCBMM CN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)[N-]C1=S ZINC000408913054 556888214 /nfs/dbraw/zinc/88/82/14/556888214.db2.gz KFGNOVMBYDUWHP-MDWZMJQESA-N -1 1 428.382 2.552 40 10 IFCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409085190 556948500 /nfs/dbraw/zinc/94/85/00/556948500.db2.gz YMVQQMSACFXSMO-UHFFFAOYSA-N -1 1 448.800 2.863 40 10 IFCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC ZINC000409193398 556992697 /nfs/dbraw/zinc/99/26/97/556992697.db2.gz JXOSTEPPYWXBSE-NTUHNPAUSA-N -1 1 446.868 2.887 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409238595 557020142 /nfs/dbraw/zinc/02/01/42/557020142.db2.gz LGFAEZLTGYQKIW-JMRXEAOASA-N -1 1 440.477 2.687 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)c(C)c1 ZINC000409251053 557036675 /nfs/dbraw/zinc/03/66/75/557036675.db2.gz OBEFMQMFFJCZDG-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1C ZINC000409266205 557039308 /nfs/dbraw/zinc/03/93/08/557039308.db2.gz PECFDTXBFMXBIU-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1C ZINC000409266205 557039310 /nfs/dbraw/zinc/03/93/10/557039310.db2.gz PECFDTXBFMXBIU-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(=O)[nH]1 ZINC000017021145 556653311 /nfs/dbraw/zinc/65/33/11/556653311.db2.gz YBEJHDLFVHXJDY-GHVJWSGMSA-N -1 1 432.491 2.801 40 10 IFCBMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408873231 556875502 /nfs/dbraw/zinc/87/55/02/556875502.db2.gz OZQUKSLIGVPRLO-UHFFFAOYSA-N -1 1 447.310 2.951 40 10 IFCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000408899521 556882121 /nfs/dbraw/zinc/88/21/21/556882121.db2.gz PZCHOBOMEYSBOQ-UHFFFAOYSA-N -1 1 432.457 2.982 40 10 IFCBMM Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000408912759 556886582 /nfs/dbraw/zinc/88/65/82/556886582.db2.gz RXERMQPBLIEPNM-WOJGMQOQSA-N -1 1 432.505 2.845 40 10 IFCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408991811 556911723 /nfs/dbraw/zinc/91/17/23/556911723.db2.gz QZVVNPMAFBRJOD-CXUHLZMHSA-N -1 1 440.477 2.607 40 10 IFCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000409192136 556992166 /nfs/dbraw/zinc/99/21/66/556992166.db2.gz AWBPYJKDAKUFBW-LDADJPATSA-N -1 1 433.445 2.712 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OC ZINC000409195037 556993697 /nfs/dbraw/zinc/99/36/97/556993697.db2.gz QVFFGWBPCWKXMW-XNTDXEJSSA-N -1 1 426.450 2.623 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409239656 557020947 /nfs/dbraw/zinc/02/09/47/557020947.db2.gz IAOHZCOZXAPTOT-XDUBLRSXSA-N -1 1 440.477 2.687 40 10 IFCBMM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1 ZINC000409247983 557029210 /nfs/dbraw/zinc/02/92/10/557029210.db2.gz FLRJTWNNQDJQMG-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1 ZINC000409247983 557029213 /nfs/dbraw/zinc/02/92/13/557029213.db2.gz FLRJTWNNQDJQMG-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)[N-]C(=S)NC3=O)c2)cc1Cl ZINC000409256988 557035090 /nfs/dbraw/zinc/03/50/90/557035090.db2.gz QYHASTXLFBKDDT-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(=O)[nH]1 ZINC000104090709 557320011 /nfs/dbraw/zinc/32/00/11/557320011.db2.gz YBEJHDLFVHXJDY-FCQUAONHSA-N -1 1 432.491 2.801 40 10 IFCBMM COc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000002594492 568788978 /nfs/dbraw/zinc/78/89/78/568788978.db2.gz WXTNXATVJGBGSQ-PBSOMRJOSA-N -1 1 426.450 2.790 40 10 IFCBMM C[C@@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)[O-] ZINC000107609698 569260567 /nfs/dbraw/zinc/26/05/67/569260567.db2.gz ZNXKQPPYIMKEHN-RLIURORJSA-N -1 1 431.242 2.762 40 10 IFCBMM Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1 ZINC000408880406 556876312 /nfs/dbraw/zinc/87/63/12/556876312.db2.gz JSDWYUWRXTYCMI-UHFFFAOYSA-N -1 1 429.226 2.726 40 10 IFCBMM Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1 ZINC000408880406 556876314 /nfs/dbraw/zinc/87/63/14/556876314.db2.gz JSDWYUWRXTYCMI-UHFFFAOYSA-N -1 1 429.226 2.726 40 10 IFCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OC(C)C ZINC000408919601 556891729 /nfs/dbraw/zinc/89/17/29/556891729.db2.gz YUUATRRJXIRPID-IZZDOVSWSA-N -1 1 427.320 2.892 40 10 IFCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993994 556912993 /nfs/dbraw/zinc/91/29/93/556912993.db2.gz XYLGRPXKBNEAEK-UHFFFAOYSA-N -1 1 442.493 2.596 40 10 IFCBMM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O ZINC000409056970 556934454 /nfs/dbraw/zinc/93/44/54/556934454.db2.gz NXXZSDCTBGSFBO-UHFFFAOYSA-N -1 1 446.095 2.996 40 10 IFCBMM CC(C)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O ZINC000409056970 556934456 /nfs/dbraw/zinc/93/44/56/556934456.db2.gz NXXZSDCTBGSFBO-UHFFFAOYSA-N -1 1 446.095 2.996 40 10 IFCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N1 ZINC000409066334 556941898 /nfs/dbraw/zinc/94/18/98/556941898.db2.gz BVSWLIMWGVJZPD-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N1 ZINC000409066334 556941901 /nfs/dbraw/zinc/94/19/01/556941901.db2.gz BVSWLIMWGVJZPD-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C(=O)N1 ZINC000409066888 556942127 /nfs/dbraw/zinc/94/21/27/556942127.db2.gz CZSKRCJADVPIAF-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C(=O)N1 ZINC000409066888 556942129 /nfs/dbraw/zinc/94/21/29/556942129.db2.gz CZSKRCJADVPIAF-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000409218793 557012924 /nfs/dbraw/zinc/01/29/24/557012924.db2.gz HBPBQKHLAADWGN-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl ZINC000409254268 557034084 /nfs/dbraw/zinc/03/40/84/557034084.db2.gz WRYDSEYIUIYSIW-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)c1C ZINC000409267852 557039593 /nfs/dbraw/zinc/03/95/93/557039593.db2.gz WPNYCYDXJKNSML-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)c1 ZINC000059679749 557828508 /nfs/dbraw/zinc/82/85/08/557828508.db2.gz HTJGUGHRMRJHHS-FHXOWUIVSA-N -1 1 440.477 2.769 40 10 IFCBMM C[C@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)[O-] ZINC000107609691 569260527 /nfs/dbraw/zinc/26/05/27/569260527.db2.gz ZNXKQPPYIMKEHN-HOXUKUGESA-N -1 1 431.242 2.762 40 10 IFCBMM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000032189242 556537152 /nfs/dbraw/zinc/53/71/52/556537152.db2.gz DLEBRQIIQQLCHU-YRNVUSSQSA-N -1 1 434.832 2.774 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408852709 556869870 /nfs/dbraw/zinc/86/98/70/556869870.db2.gz VSFOSLGAATZSTD-OVCLIPMQSA-N -1 1 425.397 2.982 40 10 IFCBMM CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C(=O)[N-]C1=S ZINC000408908823 556887090 /nfs/dbraw/zinc/88/70/90/556887090.db2.gz DIVCGFDSXXWSBI-RIYZIHGNSA-N -1 1 447.875 2.753 40 10 IFCBMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409049826 556932468 /nfs/dbraw/zinc/93/24/68/556932468.db2.gz XVTAYVFVDOKKFS-UHFFFAOYSA-N -1 1 443.843 2.506 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409049826 556932470 /nfs/dbraw/zinc/93/24/70/556932470.db2.gz XVTAYVFVDOKKFS-UHFFFAOYSA-N -1 1 443.843 2.506 40 10 IFCBMM O=C1[N-]C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 ZINC000409064627 556941156 /nfs/dbraw/zinc/94/11/56/556941156.db2.gz IGJYLBBSPUXMQJ-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 ZINC000409064627 556941159 /nfs/dbraw/zinc/94/11/59/556941159.db2.gz IGJYLBBSPUXMQJ-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080971 556947397 /nfs/dbraw/zinc/94/73/97/556947397.db2.gz OTGUQMQXBQCBEB-UHFFFAOYSA-N -1 1 448.800 2.863 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409238600 557020051 /nfs/dbraw/zinc/02/00/51/557020051.db2.gz LGFAEZLTGYQKIW-WDGDVPDHSA-N -1 1 440.477 2.687 40 10 IFCBMM Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)c1 ZINC000409256025 557034773 /nfs/dbraw/zinc/03/47/73/557034773.db2.gz NLVLSQFMYSMRCN-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)c(C)c1 ZINC000409251098 557036643 /nfs/dbraw/zinc/03/66/43/557036643.db2.gz OIHXWCAYVSGDAP-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)c(C)c1 ZINC000409251098 557036647 /nfs/dbraw/zinc/03/66/47/557036647.db2.gz OIHXWCAYVSGDAP-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(O)c1 ZINC000408551544 555859360 /nfs/dbraw/zinc/85/93/60/555859360.db2.gz NBTWXOVQCFTYNU-YFHOEESVSA-N -1 1 435.820 2.627 40 10 IFCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408817798 556864239 /nfs/dbraw/zinc/86/42/39/556864239.db2.gz UNTXEWGAWHPUSV-UHFFFAOYSA-N -1 1 431.788 2.585 40 10 IFCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408817798 556864242 /nfs/dbraw/zinc/86/42/42/556864242.db2.gz UNTXEWGAWHPUSV-UHFFFAOYSA-N -1 1 431.788 2.585 40 10 IFCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408864906 556872968 /nfs/dbraw/zinc/87/29/68/556872968.db2.gz AHTUARIEXDZLBA-UHFFFAOYSA-N -1 1 433.233 2.937 40 10 IFCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408864906 556872973 /nfs/dbraw/zinc/87/29/73/556872973.db2.gz AHTUARIEXDZLBA-UHFFFAOYSA-N -1 1 433.233 2.937 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408896708 556881283 /nfs/dbraw/zinc/88/12/83/556881283.db2.gz HMULNRULPCNNMR-OVCLIPMQSA-N -1 1 425.397 2.982 40 10 IFCBMM CCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br ZINC000409048122 556931715 /nfs/dbraw/zinc/93/17/15/556931715.db2.gz RSPLKMUHKDYCDQ-UHFFFAOYSA-N -1 1 432.068 2.750 40 10 IFCBMM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br ZINC000409048122 556931718 /nfs/dbraw/zinc/93/17/18/556931718.db2.gz RSPLKMUHKDYCDQ-UHFFFAOYSA-N -1 1 432.068 2.750 40 10 IFCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 ZINC000409070735 556944951 /nfs/dbraw/zinc/94/49/51/556944951.db2.gz GPTBINTXPAELJK-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 ZINC000409070735 556944954 /nfs/dbraw/zinc/94/49/54/556944954.db2.gz GPTBINTXPAELJK-UHFFFAOYSA-N -1 1 441.248 2.511 40 10 IFCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 ZINC000409091379 556951807 /nfs/dbraw/zinc/95/18/07/556951807.db2.gz PYBPXSXORWSIAG-UHFFFAOYSA-N -1 1 432.732 2.698 40 10 IFCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 ZINC000409091379 556951810 /nfs/dbraw/zinc/95/18/10/556951810.db2.gz PYBPXSXORWSIAG-UHFFFAOYSA-N -1 1 432.732 2.698 40 10 IFCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1 ZINC000409188895 556988868 /nfs/dbraw/zinc/98/88/68/556988868.db2.gz BTDQOIAYCFDYMD-FOWTUZBSSA-N -1 1 425.466 2.799 40 10 IFCBMM CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409192408 556992140 /nfs/dbraw/zinc/99/21/40/556992140.db2.gz WWSHRDAWUGKRNE-XNTDXEJSSA-N -1 1 426.450 2.623 40 10 IFCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409241495 557031571 /nfs/dbraw/zinc/03/15/71/557031571.db2.gz XXNAVPJYVCQOJX-BVRAVYJCSA-N -1 1 444.440 2.518 40 10 IFCBMM Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl ZINC000409252776 557037572 /nfs/dbraw/zinc/03/75/72/557037572.db2.gz DQWCVOAIOHVCRF-UHFFFAOYSA-N -1 1 429.885 2.580 40 10 IFCBMM CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CCN1C(=O)SC(=Cc2cccs2)C1=O ZINC000033584137 557414725 /nfs/dbraw/zinc/41/47/25/557414725.db2.gz SXROXBPEELVKIN-YVLHZVERSA-N -1 1 446.506 2.927 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408851076 556870916 /nfs/dbraw/zinc/87/09/16/556870916.db2.gz HKGDJYXLFMQCRM-OQLLNIDSSA-N -1 1 425.397 2.928 40 10 IFCBMM O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408904227 556883737 /nfs/dbraw/zinc/88/37/37/556883737.db2.gz GSSMNDDWWVYGNW-WUXMJOGZSA-N -1 1 448.254 2.894 40 10 IFCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)OC ZINC000409339846 557067561 /nfs/dbraw/zinc/06/75/61/557067561.db2.gz LOJFGPUWPMPICH-IZZDOVSWSA-N -1 1 432.317 2.888 40 10 IFCBMM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c1 ZINC000059250072 557819178 /nfs/dbraw/zinc/81/91/78/557819178.db2.gz RXCQUHPDZWMSLV-RIYZIHGNSA-N -1 1 430.869 2.943 40 10 IFCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCC(c2ccccc2)CC1 ZINC000059488643 557825728 /nfs/dbraw/zinc/82/57/28/557825728.db2.gz FCTPJZVDBKMPRF-UHFFFAOYSA-N -1 1 436.493 2.893 40 10 IFCBMM O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000408722866 556150094 /nfs/dbraw/zinc/15/00/94/556150094.db2.gz NYRLZJMVOIOGIB-LFYBBSHMSA-N -1 1 448.800 2.693 40 10 IFCBMM CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)NC2=S)c1 ZINC000409194140 556993135 /nfs/dbraw/zinc/99/31/35/556993135.db2.gz NHEYRMKTSQWDRH-VVBXCHJUSA-N -1 1 440.477 2.769 40 10 IFCBMM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409222774 557017410 /nfs/dbraw/zinc/01/74/10/557017410.db2.gz CNQIIVUAIVHYIW-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409222774 557017413 /nfs/dbraw/zinc/01/74/13/557017413.db2.gz CNQIIVUAIVHYIW-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1 ZINC000409250727 557030876 /nfs/dbraw/zinc/03/08/76/557030876.db2.gz MRJWGMDLCHXJSL-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1 ZINC000409250727 557030879 /nfs/dbraw/zinc/03/08/79/557030879.db2.gz MRJWGMDLCHXJSL-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1C ZINC000409268816 557039935 /nfs/dbraw/zinc/03/99/35/557039935.db2.gz AXHXKZFUAVZODS-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1C ZINC000409268816 557039937 /nfs/dbraw/zinc/03/99/37/557039937.db2.gz AXHXKZFUAVZODS-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000104024634 557141612 /nfs/dbraw/zinc/14/16/12/557141612.db2.gz RDURGUHPDYWEDC-NTUHNPAUSA-N -1 1 436.848 2.607 40 10 IFCBMM COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)[O-] ZINC000059136094 557815520 /nfs/dbraw/zinc/81/55/20/557815520.db2.gz KJYYLBUFKBDSRW-XYOKQWHBSA-N -1 1 430.413 2.969 40 10 IFCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000059536083 557827424 /nfs/dbraw/zinc/82/74/24/557827424.db2.gz BKOAGWLPKLSQEX-UHFFFAOYSA-N -1 1 449.232 2.925 40 10 IFCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000059536083 557827427 /nfs/dbraw/zinc/82/74/27/557827427.db2.gz BKOAGWLPKLSQEX-UHFFFAOYSA-N -1 1 449.232 2.925 40 10 IFCBMM C[C@@H](Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)[O-] ZINC000034721124 569260093 /nfs/dbraw/zinc/26/00/93/569260093.db2.gz NEVORFFATGWIHO-MKVLZVNKSA-N -1 1 431.242 2.762 40 10 IFCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc([N+](=O)[O-])c1O ZINC000408854005 556871599 /nfs/dbraw/zinc/87/15/99/556871599.db2.gz VJOBLHBFZYWOIG-RIYZIHGNSA-N -1 1 425.397 2.982 40 10 IFCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1Br ZINC000408891258 556879129 /nfs/dbraw/zinc/87/91/29/556879129.db2.gz NPYMXZMDJHQIAY-UHFFFAOYSA-N -1 1 447.310 2.951 40 10 IFCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409015056 556920512 /nfs/dbraw/zinc/92/05/12/556920512.db2.gz ACHZGZIRDXXFPR-BVTUPMQUSA-N -1 1 440.477 2.687 40 10 IFCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000409190119 556991095 /nfs/dbraw/zinc/99/10/95/556991095.db2.gz KVECLLYGBZNZCG-LFIBNONCSA-N -1 1 439.468 2.955 40 10 IFCBMM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)c1 ZINC000409249620 557030125 /nfs/dbraw/zinc/03/01/25/557030125.db2.gz KAKSMHNVMDJMKN-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)c1 ZINC000409249620 557030129 /nfs/dbraw/zinc/03/01/29/557030129.db2.gz KAKSMHNVMDJMKN-UHFFFAOYSA-N -1 1 427.844 2.724 40 10 IFCBMM CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)c(Cl)c1[O-] ZINC000059140101 557817198 /nfs/dbraw/zinc/81/71/98/557817198.db2.gz AWMBJFOVOGCEKV-UHFFFAOYSA-N -1 1 433.711 2.806 40 10 IFCBMM CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C(=O)[N-]C1=S ZINC000408915062 556890014 /nfs/dbraw/zinc/89/00/14/556890014.db2.gz UGBXGJHPPCSWFT-NTEUORMPSA-N -1 1 429.885 2.614 40 10 IFCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409015057 556920766 /nfs/dbraw/zinc/92/07/66/556920766.db2.gz ACHZGZIRDXXFPR-RKPNYOAGSA-N -1 1 440.477 2.687 40 10 IFCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)cc1 ZINC000409195502 556993906 /nfs/dbraw/zinc/99/39/06/556993906.db2.gz VVONYEBZRNNKNO-GZTJUZNOSA-N -1 1 439.468 2.955 40 10 IFCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409216538 557011359 /nfs/dbraw/zinc/01/13/59/557011359.db2.gz JCXOPVGENWKPSA-IZZDOVSWSA-N -1 1 431.788 2.937 40 10 IFCBMM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1C ZINC000409254698 557034421 /nfs/dbraw/zinc/03/44/21/557034421.db2.gz FCXIKOONQMTOGT-UHFFFAOYSA-N -1 1 443.912 2.889 40 10 IFCBMM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1Cl ZINC000409272745 557043414 /nfs/dbraw/zinc/04/34/14/557043414.db2.gz SAKQGUDVVDZXOG-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1Cl ZINC000409272745 557043416 /nfs/dbraw/zinc/04/34/16/557043416.db2.gz SAKQGUDVVDZXOG-UHFFFAOYSA-N -1 1 434.235 2.760 40 10 IFCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)C(=O)[N-]C1=S ZINC000409391236 557095831 /nfs/dbraw/zinc/09/58/31/557095831.db2.gz IEZMRKDWLPPINC-OQLLNIDSSA-N -1 1 428.470 2.658 40 10 IFCBMM CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2)c(=O)[nH]1 ZINC000104090697 557320139 /nfs/dbraw/zinc/32/01/39/557320139.db2.gz JTGRMOQVNQJUFW-VXPUYCOJSA-N -1 1 438.520 2.862 40 10 IFCBMM CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O ZINC000059105217 557814583 /nfs/dbraw/zinc/81/45/83/557814583.db2.gz XJEDISLHSFABGI-AWNIVKPZSA-N -1 1 441.352 2.935 40 10 IFCBMM