smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]C1CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1)C(F)(F)F ZINC001200712139 1069357264 /nfs/dbraw/zinc/35/72/64/1069357264.db2.gz ZQKGZPJIUXPSRA-UHFFFAOYSA-N -1 1 494.255 4.187 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](CO)C3)cc2)cc1 ZINC001300679409 1069439853 /nfs/dbraw/zinc/43/98/53/1069439853.db2.gz YEMIFLWNVPTPTC-WIOPSUGQSA-N -1 1 464.587 4.034 20 0 JIADMM Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001492595278 1069845695 /nfs/dbraw/zinc/84/56/95/1069845695.db2.gz UILDSEPGTCSLHY-UHFFFAOYSA-N -1 1 477.556 4.182 20 0 JIADMM CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001316464418 1066363120 /nfs/dbraw/zinc/36/31/20/1066363120.db2.gz ZKOLRYIHVDSAKJ-HXUWFJFHSA-N -1 1 458.628 4.120 20 0 JIADMM COc1ccc(C[C@H](C)N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC001338125973 1066532257 /nfs/dbraw/zinc/53/22/57/1066532257.db2.gz RSQPALMBLJQUHY-INIZCTEOSA-N -1 1 474.529 4.477 20 0 JIADMM O=C([N-]CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCC2(F)F)CC1)C(F)(F)F ZINC001316564744 1066584249 /nfs/dbraw/zinc/58/42/49/1066584249.db2.gz ILKSERXFFPYBIX-DLBZAZTESA-N -1 1 493.521 4.240 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCSC2)CC1)C(F)(F)F ZINC001316566099 1066587209 /nfs/dbraw/zinc/58/72/09/1066587209.db2.gz VSCWQDUZOHVANX-OAHLLOKOSA-N -1 1 487.979 4.247 20 0 JIADMM Cc1cc(NC(=O)[C@H](C)SCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)no1 ZINC001344785725 1066635721 /nfs/dbraw/zinc/63/57/21/1066635721.db2.gz HYJQDZUXDRYWRK-ZDUSSCGKSA-N -1 1 484.559 4.164 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3nccn3Cc3ccccc3)cc2)cc1 ZINC001347051039 1066670078 /nfs/dbraw/zinc/67/00/78/1066670078.db2.gz GYQUCZCBMVSDJD-UHFFFAOYSA-N -1 1 491.569 4.488 20 0 JIADMM CCC(=O)NC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC001347512274 1066683517 /nfs/dbraw/zinc/68/35/17/1066683517.db2.gz UTZAJSIXWWLNGB-UHFFFAOYSA-N -1 1 464.349 4.082 20 0 JIADMM Cc1nc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2Cl)oc1C ZINC001347700582 1066686977 /nfs/dbraw/zinc/68/69/77/1066686977.db2.gz WRNLGCDWCJBZTO-UHFFFAOYSA-N -1 1 498.786 4.438 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)cc2)cc1 ZINC001317992986 1066838221 /nfs/dbraw/zinc/83/82/21/1066838221.db2.gz RVUOVQXDECMKNI-UHFFFAOYSA-N -1 1 499.520 4.234 20 0 JIADMM O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001318062563 1066880002 /nfs/dbraw/zinc/88/00/02/1066880002.db2.gz XBRVBURJIKKCQW-UHFFFAOYSA-N -1 1 483.553 4.151 20 0 JIADMM O=C([O-])CCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)nc2)cc1F ZINC001318118677 1066909368 /nfs/dbraw/zinc/90/93/68/1066909368.db2.gz XODYFTJIZIQIFJ-UHFFFAOYSA-N -1 1 464.446 4.197 20 0 JIADMM CC(C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C1CCCCC1 ZINC001318218521 1066967083 /nfs/dbraw/zinc/96/70/83/1066967083.db2.gz LYFIGRQRQYQUSU-UHFFFAOYSA-N -1 1 456.568 4.158 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(C(F)(F)F)cn3)ccc2C)cc1 ZINC001350859628 1067011432 /nfs/dbraw/zinc/01/14/32/1067011432.db2.gz OCOQEOBCPVNSKX-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM O=C(Nc1ccccc1CN1CCCC1=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001320258411 1067088270 /nfs/dbraw/zinc/08/82/70/1067088270.db2.gz SDLQUWFVHVMLLF-UHFFFAOYSA-N -1 1 485.512 4.140 20 0 JIADMM CCCc1n[nH]cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001320673700 1067091372 /nfs/dbraw/zinc/09/13/72/1067091372.db2.gz UEXYQWXVBAXJPT-UHFFFAOYSA-N -1 1 477.384 4.486 20 0 JIADMM O=C(CSc1ccccc1C(=O)OCC(=O)c1ccc([O-])cc1O)NC12CC3CC(CC(C3)C1)C2 ZINC001321447917 1067132599 /nfs/dbraw/zinc/13/25/99/1067132599.db2.gz YCJNDNMBQPYFHN-UHFFFAOYSA-N -1 1 495.597 4.315 20 0 JIADMM COc1cccc2cc(CNC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)oc21 ZINC001321497617 1067148873 /nfs/dbraw/zinc/14/88/73/1067148873.db2.gz HQGZGJWHGVXRCF-UHFFFAOYSA-N -1 1 450.516 4.481 20 0 JIADMM O=Nc1c(=O)[n-]c(=S)[nH]c1NC(=S)Nc1c(F)cc(Br)cc1Br ZINC001200797061 1067160412 /nfs/dbraw/zinc/16/04/12/1067160412.db2.gz BDMYUICLODIIAH-UHFFFAOYSA-N -1 1 483.142 4.342 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2)cc1 ZINC001322049612 1067243043 /nfs/dbraw/zinc/24/30/43/1067243043.db2.gz FYFWZAHKQDKLJL-UHFFFAOYSA-N -1 1 493.585 4.261 20 0 JIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001322348543 1067279426 /nfs/dbraw/zinc/27/94/26/1067279426.db2.gz GMPLWMVZUKZBOX-FQEVSTJZSA-N -1 1 489.601 4.453 20 0 JIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1)N1CCCC[C@H]1CO ZINC001322613125 1067306204 /nfs/dbraw/zinc/30/62/04/1067306204.db2.gz AEGKQNIDQBLMDS-QHCPKHFHSA-N -1 1 480.586 4.053 20 0 JIADMM O=C(COC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc([O-])cc1O ZINC001323994121 1067331142 /nfs/dbraw/zinc/33/11/42/1067331142.db2.gz KBPAQEKNMKXHEE-BKMJKUGQSA-N -1 1 459.498 4.004 20 0 JIADMM COc1cccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)s2)c1 ZINC000500983243 1067394221 /nfs/dbraw/zinc/39/42/21/1067394221.db2.gz JCTYMUXIKPWLPF-UHFFFAOYSA-N -1 1 494.598 4.499 20 0 JIADMM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1NS(=O)(=O)c1ccc(Cl)c2ccccc21)OCC ZINC001200072452 1067526754 /nfs/dbraw/zinc/52/67/54/1067526754.db2.gz PIAFBSQYKLMOOK-UHFFFAOYSA-N -1 1 483.999 4.020 20 0 JIADMM CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC001473015324 1067701714 /nfs/dbraw/zinc/70/17/14/1067701714.db2.gz WNEJPPWYHIBOLM-UHFFFAOYSA-N -1 1 450.564 4.370 20 0 JIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001356235957 1067702747 /nfs/dbraw/zinc/70/27/47/1067702747.db2.gz JKSZOZBQURQZMU-OAHLLOKOSA-N -1 1 452.882 4.385 20 0 JIADMM COCCn1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)n1 ZINC000507159979 1067709063 /nfs/dbraw/zinc/70/90/63/1067709063.db2.gz DQMSDOCRSMKLRB-UHFFFAOYSA-N -1 1 470.595 4.189 20 0 JIADMM O=C(NCCCN1CCCCCC1=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000848950814 1067711000 /nfs/dbraw/zinc/71/10/00/1067711000.db2.gz LCCWOUIKSSZIGX-UHFFFAOYSA-N -1 1 498.432 4.317 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCC4(CCCC4)O3)c2)cc1 ZINC001300151844 1067808314 /nfs/dbraw/zinc/80/83/14/1067808314.db2.gz CQDQZOQXAHSWDF-NRFANRHFSA-N -1 1 458.580 4.108 20 0 JIADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000862851738 1068196645 /nfs/dbraw/zinc/19/66/45/1068196645.db2.gz XCDUAXJTZPOPDI-VIFPVBQESA-N -1 1 456.178 4.456 20 0 JIADMM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000512277756 1068219618 /nfs/dbraw/zinc/21/96/18/1068219618.db2.gz ABDMAXOXOWVRJL-UHFFFAOYSA-N -1 1 498.362 4.287 20 0 JIADMM O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000518784668 1068311443 /nfs/dbraw/zinc/31/14/43/1068311443.db2.gz MZWBHKYQUAIATO-UHFFFAOYSA-N -1 1 450.442 4.359 20 0 JIADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000615838719 1068323539 /nfs/dbraw/zinc/32/35/39/1068323539.db2.gz YCSNWBWRGDOIQM-UHFFFAOYSA-N -1 1 450.495 4.124 20 0 JIADMM CCN(c1ccccc1)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)ccc1C ZINC001200509325 1068790053 /nfs/dbraw/zinc/79/00/53/1068790053.db2.gz GAFMARITSSWMLP-UHFFFAOYSA-N -1 1 478.567 4.159 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccc(I)c(C(F)(F)F)c2)ccc1F ZINC001200551660 1068873065 /nfs/dbraw/zinc/87/30/65/1068873065.db2.gz MBWWDQGPDCHRDX-UHFFFAOYSA-N -1 1 475.201 4.259 20 0 JIADMM Cc1ccc(C(=O)N2C[C@H]3CSC[C@@]3(C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001472256994 1068914889 /nfs/dbraw/zinc/91/48/89/1068914889.db2.gz RTGARLYTSRPKMR-HRAATJIYSA-N -1 1 451.013 4.274 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1Cc1nccn1C(F)F ZINC001359526720 1069816610 /nfs/dbraw/zinc/81/66/10/1069816610.db2.gz QOTQCLQNQGCSRJ-UHFFFAOYSA-N -1 1 472.540 4.312 20 0 JIADMM Cc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001325219566 1066240649 /nfs/dbraw/zinc/24/06/49/1066240649.db2.gz VSHAGPWFQMVKNK-UHFFFAOYSA-N -1 1 481.965 4.341 20 0 JIADMM Cc1ccc(NC(=O)c2ccc(-n3cccn3)c(F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001326568159 1066301567 /nfs/dbraw/zinc/30/15/67/1066301567.db2.gz RFJXMWUCJHYMTM-UHFFFAOYSA-N -1 1 450.495 4.373 20 0 JIADMM CCCNC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 ZINC001336244886 1066434845 /nfs/dbraw/zinc/43/48/45/1066434845.db2.gz RGEGVFKWYHDUCB-GOSISDBHSA-N -1 1 473.639 4.046 20 0 JIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001337740873 1066507128 /nfs/dbraw/zinc/50/71/28/1066507128.db2.gz XWKDQWVLHRXKSR-UHFFFAOYSA-N -1 1 492.903 4.244 20 0 JIADMM Cc1nc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)oc1C ZINC001347316736 1066678163 /nfs/dbraw/zinc/67/81/63/1066678163.db2.gz JSUSCQMACFHVSG-UHFFFAOYSA-N -1 1 453.442 4.041 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2)cc1C ZINC001347509226 1066682460 /nfs/dbraw/zinc/68/24/60/1066682460.db2.gz IKCABNUCWLVQRT-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccccc1N1CCCC1=O ZINC001317779200 1066683005 /nfs/dbraw/zinc/68/30/05/1066683005.db2.gz HGHJNEVERQMYHD-UHFFFAOYSA-N -1 1 485.949 4.226 20 0 JIADMM COC(=O)C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)c1ccc(C)cc1 ZINC001317829721 1066714749 /nfs/dbraw/zinc/71/47/49/1066714749.db2.gz NCEGXNPJELKQJV-JOCHJYFZSA-N -1 1 484.549 4.278 20 0 JIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)cc1 ZINC001348064252 1066717943 /nfs/dbraw/zinc/71/79/43/1066717943.db2.gz PHHSOJNPNUYIMW-UHFFFAOYSA-N -1 1 481.471 4.321 20 0 JIADMM CCC(=O)NC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1 ZINC001348594619 1066760046 /nfs/dbraw/zinc/76/00/46/1066760046.db2.gz RFOUPZUOOOXZDD-UHFFFAOYSA-N -1 1 485.650 4.224 20 0 JIADMM CNC(=O)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001317904497 1066773969 /nfs/dbraw/zinc/77/39/69/1066773969.db2.gz BRZOCURJUZKKJR-UHFFFAOYSA-N -1 1 491.491 4.047 20 0 JIADMM C[C@@H](OC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccc(F)c(F)c1 ZINC001317937347 1066795997 /nfs/dbraw/zinc/79/59/97/1066795997.db2.gz RZTLDESXMLPYRE-JLTOFOAXSA-N -1 1 487.528 4.305 20 0 JIADMM O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)OCC(=O)c1ccc([O-])cc1O ZINC001317941479 1066800747 /nfs/dbraw/zinc/80/07/47/1066800747.db2.gz CEPQLPKKBKBPRI-UHFFFAOYSA-N -1 1 484.302 4.081 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COc3ccccc3F)c2)cc1 ZINC001317955732 1066810187 /nfs/dbraw/zinc/81/01/87/1066810187.db2.gz AWLXLXITWNQONA-KRWDZBQOSA-N -1 1 472.538 4.223 20 0 JIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1 ZINC001317968156 1066820458 /nfs/dbraw/zinc/82/04/58/1066820458.db2.gz XYGRHLZEVSTJSY-UHFFFAOYSA-N -1 1 455.536 4.207 20 0 JIADMM CCOC(=O)C1=C(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)[N-]c2ccccc2N=C1C ZINC001349402035 1066838179 /nfs/dbraw/zinc/83/81/79/1066838179.db2.gz QPJKNTUXOOUHDH-FQEVSTJZSA-N -1 1 453.445 4.205 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)[C@@H](C)n3ccnc3)c2)cc1Br ZINC001318007360 1066848504 /nfs/dbraw/zinc/84/85/04/1066848504.db2.gz GQAKMEZXFCWEEH-CQSZACIVSA-N -1 1 493.383 4.045 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)CC2)c1 ZINC001318041761 1066867238 /nfs/dbraw/zinc/86/72/38/1066867238.db2.gz SRWMZZHCQXWQLW-UHFFFAOYSA-N -1 1 479.602 4.203 20 0 JIADMM CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3[O-])c2)n1 ZINC001318109509 1066904382 /nfs/dbraw/zinc/90/43/82/1066904382.db2.gz RIGBFPWCZJNBCS-DEOSSOPVSA-N -1 1 498.539 4.151 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)ccc2C)c1 ZINC001318143471 1066922870 /nfs/dbraw/zinc/92/28/70/1066922870.db2.gz RJQRSYNXSZFERX-DEOSSOPVSA-N -1 1 491.613 4.139 20 0 JIADMM O=C(CN1C(=O)[N-][C@@](c2ccccc2)(C(F)(F)F)C1=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001318239837 1066979043 /nfs/dbraw/zinc/97/90/43/1066979043.db2.gz MFOWJPFISWBYPT-LJQANCHMSA-N -1 1 493.791 4.245 20 0 JIADMM Cc1cnn(CC2CC2)c1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC001318248366 1066982881 /nfs/dbraw/zinc/98/28/81/1066982881.db2.gz DZIRQBMCKULBQG-UHFFFAOYSA-N -1 1 495.536 4.048 20 0 JIADMM COc1cccc2cc(CNC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)oc21 ZINC001318282044 1067001032 /nfs/dbraw/zinc/00/10/32/1067001032.db2.gz ZHFIKSYGVLSWSM-UHFFFAOYSA-N -1 1 454.479 4.311 20 0 JIADMM COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)cn1 ZINC001300690248 1067036653 /nfs/dbraw/zinc/03/66/53/1067036653.db2.gz ZGPIOYCGADDZJA-UHFFFAOYSA-N -1 1 459.955 4.125 20 0 JIADMM COc1cccc2cc(CNC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)oc21 ZINC001321497176 1067147549 /nfs/dbraw/zinc/14/75/49/1067147549.db2.gz FSBVECXOJJJNIA-UHFFFAOYSA-N -1 1 450.516 4.481 20 0 JIADMM O=C(NCc1ccc2c(c1)CCC2)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001321671931 1067197746 /nfs/dbraw/zinc/19/77/46/1067197746.db2.gz YGZFJRBUJMHZNZ-UHFFFAOYSA-N -1 1 478.570 4.067 20 0 JIADMM CC(C)(C)N1CCN(C(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC001321890251 1067222958 /nfs/dbraw/zinc/22/29/58/1067222958.db2.gz GOAQDBURDJHGIB-UHFFFAOYSA-N -1 1 457.621 4.258 20 0 JIADMM COc1ccc(-c2nc([N-]C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)n[nH]2)c(OC)c1 ZINC001351981089 1067262223 /nfs/dbraw/zinc/26/22/23/1067262223.db2.gz XWYMDEDIGORNPO-UHFFFAOYSA-N -1 1 459.384 4.415 20 0 JIADMM CNC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(C)c1 ZINC001323821619 1067327421 /nfs/dbraw/zinc/32/74/21/1067327421.db2.gz CWTSJQXNHFSZKV-UHFFFAOYSA-N -1 1 471.966 4.370 20 0 JIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC(Nc4ccccc4)CC3)c([O-])c2)c1 ZINC001324478000 1067342153 /nfs/dbraw/zinc/34/21/53/1067342153.db2.gz FJBJONSVWJRCAQ-UHFFFAOYSA-N -1 1 475.545 4.378 20 0 JIADMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c(Br)c1 ZINC001200039245 1067398990 /nfs/dbraw/zinc/39/89/90/1067398990.db2.gz MYIUPLIPJGCILM-UHFFFAOYSA-N -1 1 455.717 4.238 20 0 JIADMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2scc(Br)c2Br)c1 ZINC001352689794 1067627311 /nfs/dbraw/zinc/62/73/11/1067627311.db2.gz BLWAMBQBZNSPDN-UHFFFAOYSA-N -1 1 457.140 4.068 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C3CC3)ccc2N2CCCCC2)cc1 ZINC001352908069 1067796723 /nfs/dbraw/zinc/79/67/23/1067796723.db2.gz WVZKPHQRJRBZPQ-QGZVFWFLSA-N -1 1 457.596 4.471 20 0 JIADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1Cl ZINC001357372238 1067840735 /nfs/dbraw/zinc/84/07/35/1067840735.db2.gz KNTPHJILYPGGAA-UHFFFAOYSA-N -1 1 459.742 4.478 20 0 JIADMM Cc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001353225375 1067924865 /nfs/dbraw/zinc/92/48/65/1067924865.db2.gz QYPLMBBAKSGGRF-UHFFFAOYSA-N -1 1 481.471 4.321 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCO[C@H](c4ccncc4)C3)c2)c1 ZINC001300246618 1067975336 /nfs/dbraw/zinc/97/53/36/1067975336.db2.gz QLFCBEINIVVAET-GGAORHGYSA-N -1 1 465.575 4.149 20 0 JIADMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cnn1-c1ccc(F)cc1 ZINC001300251300 1068001718 /nfs/dbraw/zinc/00/17/18/1068001718.db2.gz XPKVLFDUEOWOBF-UHFFFAOYSA-N -1 1 450.495 4.373 20 0 JIADMM CC(C)(C)c1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000491289048 1068037167 /nfs/dbraw/zinc/03/71/67/1068037167.db2.gz JFYTXPNZIJIBGQ-UHFFFAOYSA-N -1 1 452.508 4.167 20 0 JIADMM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(COc3ccc(Br)cc3)o2)s1 ZINC000603750674 1068140921 /nfs/dbraw/zinc/14/09/21/1068140921.db2.gz VVCWRVLCOWSIJM-UHFFFAOYSA-N -1 1 498.380 4.380 20 0 JIADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(Nc2nc3ccccc3s2)c1 ZINC000511187166 1068191398 /nfs/dbraw/zinc/19/13/98/1068191398.db2.gz AVSWZKBFWYGNAA-UHFFFAOYSA-N -1 1 469.544 4.476 20 0 JIADMM Cn1cc(C(=O)Nc2ccc(OC(=O)c3cc(Br)cc(Br)c3[O-])cc2)cn1 ZINC001353486078 1068198718 /nfs/dbraw/zinc/19/87/18/1068198718.db2.gz HQTJGLRNWYQMON-UHFFFAOYSA-N -1 1 495.127 4.122 20 0 JIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000524366102 1068351338 /nfs/dbraw/zinc/35/13/38/1068351338.db2.gz OKCYEEVZGQBQEQ-UHFFFAOYSA-N -1 1 471.486 4.022 20 0 JIADMM Cc1[nH]nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)c1-c1ccccc1 ZINC000623490887 1068410137 /nfs/dbraw/zinc/41/01/37/1068410137.db2.gz HOGORIPWHSLPPY-UHFFFAOYSA-N -1 1 490.541 4.209 20 0 JIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2)ccc1F ZINC000503798297 1068851025 /nfs/dbraw/zinc/85/10/25/1068851025.db2.gz JFNPAMYLLGHEST-UHFFFAOYSA-N -1 1 479.537 4.021 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](CO)C3)cc2)c1C ZINC001300678517 1069436695 /nfs/dbraw/zinc/43/66/95/1069436695.db2.gz LKYSSLNRNJSKHR-UKILVPOCSA-N -1 1 478.614 4.342 20 0 JIADMM CC(C)=CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001359605627 1070065819 /nfs/dbraw/zinc/06/58/19/1070065819.db2.gz LOPKEEAQVZDMNQ-UHFFFAOYSA-N -1 1 474.565 4.087 20 0 JIADMM COCCO[C@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1Cc1ccc(C)s1 ZINC001316170074 1065841969 /nfs/dbraw/zinc/84/19/69/1065841969.db2.gz QDNWEZCXBKPDDU-GOSISDBHSA-N -1 1 484.622 4.225 20 0 JIADMM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n(-c2cccc(Cl)c2)n1 ZINC001329546518 1066340425 /nfs/dbraw/zinc/34/04/25/1066340425.db2.gz FKKQOVUJHXTIEH-UHFFFAOYSA-N -1 1 473.769 4.058 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C(C)(C)C)nn3C)c2)cc1 ZINC001337190588 1066464704 /nfs/dbraw/zinc/46/47/04/1066464704.db2.gz WVIWATHTYOTRLZ-UHFFFAOYSA-N -1 1 456.568 4.169 20 0 JIADMM Cc1ccccc1OCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001317704414 1066638143 /nfs/dbraw/zinc/63/81/43/1066638143.db2.gz GEMGSUNYMXBXOE-UHFFFAOYSA-N -1 1 482.558 4.365 20 0 JIADMM O=C(OCCCc1cccnc1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001347075485 1066672960 /nfs/dbraw/zinc/67/29/60/1066672960.db2.gz GYTKOSNTEAUHMX-UHFFFAOYSA-N -1 1 475.364 4.435 20 0 JIADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC001317791413 1066691009 /nfs/dbraw/zinc/69/10/09/1066691009.db2.gz XSRHKBFHOVHUDO-UHFFFAOYSA-N -1 1 474.444 4.270 20 0 JIADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC001348138428 1066723135 /nfs/dbraw/zinc/72/31/35/1066723135.db2.gz AEHLJLKTNRMUHX-UHFFFAOYSA-N -1 1 476.514 4.338 20 0 JIADMM Cc1nc(CSCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cs1 ZINC001317866689 1066741788 /nfs/dbraw/zinc/74/17/88/1066741788.db2.gz HIQIUUGERWOLPS-UHFFFAOYSA-N -1 1 469.560 4.402 20 0 JIADMM COc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2cccc(OC)c2OC)CC[C@@H](C)C3)on1 ZINC001349112324 1066810091 /nfs/dbraw/zinc/81/00/91/1066810091.db2.gz RYNGUOMBXNYPHW-GFCCVEGCSA-N -1 1 456.520 4.370 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)ccc2C)cc1 ZINC001317972962 1066824289 /nfs/dbraw/zinc/82/42/89/1066824289.db2.gz DQNNZEXYHPLUSJ-UHFFFAOYSA-N -1 1 483.521 4.452 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)CC2)c1 ZINC001318034028 1066862219 /nfs/dbraw/zinc/86/22/19/1066862219.db2.gz PZPADINXFXZDFW-UHFFFAOYSA-N -1 1 497.592 4.342 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)cc1C ZINC001318130588 1066914540 /nfs/dbraw/zinc/91/45/40/1066914540.db2.gz KMIRCPQFJIOPDY-DEOSSOPVSA-N -1 1 491.613 4.139 20 0 JIADMM CC(C)Nc1nn(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(=S)s1 ZINC001318214180 1066963165 /nfs/dbraw/zinc/96/31/65/1066963165.db2.gz TYRABDSIPOKTIH-UHFFFAOYSA-N -1 1 463.654 4.385 20 0 JIADMM COc1cccc2cc(CNC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C(C)=O)cc4)cc3)oc21 ZINC001318226324 1066971165 /nfs/dbraw/zinc/97/11/65/1066971165.db2.gz OXFIXGRWIBDUIE-UHFFFAOYSA-N -1 1 478.526 4.375 20 0 JIADMM COc1ccc(C[C@H](C)N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001318243709 1066980769 /nfs/dbraw/zinc/98/07/69/1066980769.db2.gz WPWZMVCURGIOGQ-KRWDZBQOSA-N -1 1 456.539 4.338 20 0 JIADMM NC(=O)CCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC001318282038 1067000870 /nfs/dbraw/zinc/00/08/70/1067000870.db2.gz ZBCLKMDBUFIOBB-UHFFFAOYSA-N -1 1 491.491 4.176 20 0 JIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318358037 1067030953 /nfs/dbraw/zinc/03/09/53/1067030953.db2.gz UURHFJOHGXRARG-XMMPIXPASA-N -1 1 475.570 4.076 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cnn3CC3CC3)c2)cc1 ZINC001318480567 1067048179 /nfs/dbraw/zinc/04/81/79/1067048179.db2.gz ADJHGVCUGLZZIS-UHFFFAOYSA-N -1 1 454.552 4.053 20 0 JIADMM O=C(NC1(c2ccccc2)CCC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC001320910887 1067095341 /nfs/dbraw/zinc/09/53/41/1067095341.db2.gz RQEQSHGGQSLPKJ-UHFFFAOYSA-N -1 1 450.516 4.025 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3N3CCCC3=O)ccc2C)c1 ZINC001321403762 1067114353 /nfs/dbraw/zinc/11/43/53/1067114353.db2.gz OGNTVQOYOCTDJL-UHFFFAOYSA-N -1 1 463.559 4.483 20 0 JIADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)c1Cl ZINC001351620588 1067146466 /nfs/dbraw/zinc/14/64/66/1067146466.db2.gz QJSDYOHOMQQSDT-UHFFFAOYSA-N -1 1 459.742 4.478 20 0 JIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)nc2)ccc1Br ZINC001321783265 1067210319 /nfs/dbraw/zinc/21/03/19/1067210319.db2.gz KEOSQVYTOSNEFQ-UHFFFAOYSA-N -1 1 467.272 4.275 20 0 JIADMM O=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc([O-])cc1O ZINC001321929314 1067229236 /nfs/dbraw/zinc/22/92/36/1067229236.db2.gz OUGBZVCPAKIWMQ-UHFFFAOYSA-N -1 1 470.275 4.152 20 0 JIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)ccc2C)cc1 ZINC001322181662 1067260120 /nfs/dbraw/zinc/26/01/20/1067260120.db2.gz SNDIZPHQMHWVQM-QFIPXVFZSA-N -1 1 497.661 4.269 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccccc1CN1CCCC1=O ZINC001324479108 1067342403 /nfs/dbraw/zinc/34/24/03/1067342403.db2.gz UPUYNKQXPAFNAU-UHFFFAOYSA-N -1 1 481.549 4.310 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCOc4cc(F)c(F)cc43)c2)c1 ZINC001300210886 1067881565 /nfs/dbraw/zinc/88/15/65/1067881565.db2.gz LVYZDHIOVAVFKF-UHFFFAOYSA-N -1 1 458.486 4.422 20 0 JIADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)n[nH]1 ZINC000490254578 1067896774 /nfs/dbraw/zinc/89/67/74/1067896774.db2.gz GVQMTDROJFAWPH-YVEFUNNKSA-N -1 1 475.368 4.349 20 0 JIADMM CC(C)(C)OC(=O)C1(NC(=O)c2ccc(I)cc2[O-])CCCCCC1 ZINC001300256969 1068016451 /nfs/dbraw/zinc/01/64/51/1068016451.db2.gz QWGGYBBSHBJASR-UHFFFAOYSA-N -1 1 459.324 4.161 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2)c1 ZINC000491331497 1068045594 /nfs/dbraw/zinc/04/55/94/1068045594.db2.gz GSFGPULQYWBHMF-UHFFFAOYSA-N -1 1 465.560 4.270 20 0 JIADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc4ccccc4s3)c2)cc1 ZINC000511198391 1068190618 /nfs/dbraw/zinc/19/06/18/1068190618.db2.gz GDEKWXGMZKIFAV-UHFFFAOYSA-N -1 1 488.616 4.091 20 0 JIADMM Cc1c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)sc2nc3n(c(=O)c12)CCC3 ZINC000516538184 1068277552 /nfs/dbraw/zinc/27/75/52/1068277552.db2.gz OJGRMAXJDJSMIU-UHFFFAOYSA-N -1 1 473.580 4.248 20 0 JIADMM Cc1c(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)sc2nc3n(c(=O)c12)CCC3 ZINC000518315257 1068307692 /nfs/dbraw/zinc/30/76/92/1068307692.db2.gz ORWMFRHFXBSUGW-UHFFFAOYSA-N -1 1 467.620 4.284 20 0 JIADMM COc1ccccc1[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1noc(C)n1 ZINC001353795992 1068595111 /nfs/dbraw/zinc/59/51/11/1068595111.db2.gz ADCXNLBCOOZSER-MRXNPFEDSA-N -1 1 452.255 4.147 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2)cc1C ZINC000503819842 1068856191 /nfs/dbraw/zinc/85/61/91/1068856191.db2.gz BQPOEZBECAVRSQ-UHFFFAOYSA-N -1 1 475.574 4.191 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(CF)n(-c4ccccc4C)c(=O)c3c2)ccc1F ZINC001200550588 1068871075 /nfs/dbraw/zinc/87/10/75/1068871075.db2.gz ATNAOMIUQMKQGV-UHFFFAOYSA-N -1 1 471.485 4.112 20 0 JIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001300543855 1068979173 /nfs/dbraw/zinc/97/91/73/1068979173.db2.gz XINNVWIZLFHVLB-UKRRQHHQSA-N -1 1 452.395 4.207 20 0 JIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC001545692976 1069359632 /nfs/dbraw/zinc/35/96/32/1069359632.db2.gz GBEOWLHDFGOTRS-UHFFFAOYSA-N -1 1 456.550 4.111 20 0 JIADMM CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCOC1CCCCCC1 ZINC001359505357 1069775585 /nfs/dbraw/zinc/77/55/85/1069775585.db2.gz YUZYCIKQULTFBM-UHFFFAOYSA-N -1 1 473.584 4.210 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCCOC1CCCC1 ZINC001359529765 1069820275 /nfs/dbraw/zinc/82/02/75/1069820275.db2.gz GASYYMGRQHXIMI-UHFFFAOYSA-N -1 1 473.584 4.111 20 0 JIADMM COc1ccc(Cl)cc1Cn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001315509706 1064437544 /nfs/dbraw/zinc/43/75/44/1064437544.db2.gz GHXXTBLSBOWTTH-UHFFFAOYSA-N -1 1 487.954 4.181 20 0 JIADMM COCCC1(Cn2c(Cc3ccsc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCC1 ZINC001315986947 1065555420 /nfs/dbraw/zinc/55/54/20/1065555420.db2.gz JTMWABGDMOMXAF-UHFFFAOYSA-N -1 1 499.603 4.032 20 0 JIADMM COCCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001316007646 1065596982 /nfs/dbraw/zinc/59/69/82/1065596982.db2.gz ZTYPXUICGLMPCN-JOCHJYFZSA-N -1 1 456.587 4.141 20 0 JIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Sc4nncs4)c(Cl)c3)ccc2N1 ZINC001326206101 1066287347 /nfs/dbraw/zinc/28/73/47/1066287347.db2.gz IBJKXZSHQYJIIF-UHFFFAOYSA-N -1 1 452.970 4.028 20 0 JIADMM O=C(CSc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1)NC1CCCCCCC1 ZINC001337519165 1066490201 /nfs/dbraw/zinc/49/02/01/1066490201.db2.gz SZWOEMDXJPAZFE-UHFFFAOYSA-N -1 1 455.506 4.397 20 0 JIADMM O=S(=O)([N-][C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(Br)cnc1Cl 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459.282 4.355 20 0 JIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318167479 1066935116 /nfs/dbraw/zinc/93/51/16/1066935116.db2.gz HIXSRIOSONHIPA-XMMPIXPASA-N -1 1 475.570 4.076 20 0 JIADMM NC(=O)CCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC001318281523 1067000628 /nfs/dbraw/zinc/00/06/28/1067000628.db2.gz UNQOHYTYSOXXLJ-UHFFFAOYSA-N -1 1 492.384 4.464 20 0 JIADMM COc1cccc2cc(CNC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)oc21 ZINC001318434221 1067042167 /nfs/dbraw/zinc/04/21/67/1067042167.db2.gz RPSRJZRTGQGVGT-UHFFFAOYSA-N -1 1 450.516 4.481 20 0 JIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)COc2ccccc2F)cc1 ZINC001319843871 1067079549 /nfs/dbraw/zinc/07/95/49/1067079549.db2.gz AQNGDWZSMVUMCI-INIZCTEOSA-N -1 1 460.502 4.271 20 0 JIADMM COc1cc(Br)cc(Br)c1[N-]S(=O)(=O)c1cccc(C)c1F ZINC001200799512 1067185651 /nfs/dbraw/zinc/18/56/51/1067185651.db2.gz YYQNFJPFTDVFQM-UHFFFAOYSA-N -1 1 453.127 4.469 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCOc3ccccc3C)cc2)cc1OC ZINC001321890723 1067223863 /nfs/dbraw/zinc/22/38/63/1067223863.db2.gz MPIOQBHDPIHQFI-UHFFFAOYSA-N -1 1 470.547 4.221 20 0 JIADMM O=C(Nc1cc(N2CCOC2=O)ccc1F)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001321947728 1067231313 /nfs/dbraw/zinc/23/13/13/1067231313.db2.gz ZQNKUKBJSKAYQF-UHFFFAOYSA-N -1 1 489.912 4.489 20 0 JIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001322245526 1067266407 /nfs/dbraw/zinc/26/64/07/1067266407.db2.gz AEMMQWRPLMVPJY-NTKDMRAZSA-N -1 1 468.557 4.433 20 0 JIADMM CCOC(=O)C1=C(NC(=O)CSc2nc3ccccc3s2)[N-]c2ccccc2N=C1C ZINC001352132438 1067296516 /nfs/dbraw/zinc/29/65/16/1067296516.db2.gz NFKYGQADPAJNRT-UHFFFAOYSA-N -1 1 452.561 4.497 20 0 JIADMM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)n2)c1 ZINC001475041379 1067320159 /nfs/dbraw/zinc/32/01/59/1067320159.db2.gz UHWHIGOHYMILOI-SNVBAGLBSA-N -1 1 459.858 4.040 20 0 JIADMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000479305236 1067801551 /nfs/dbraw/zinc/80/15/51/1067801551.db2.gz VKGKWIRJYGBVHT-UHFFFAOYSA-N -1 1 496.486 4.272 20 0 JIADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n[nH]1 ZINC000490273258 1067898420 /nfs/dbraw/zinc/89/84/20/1067898420.db2.gz LOYITKOJNIEOJT-YVEFUNNKSA-N -1 1 475.368 4.349 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](c3ccccc3F)[C@H](C)O)c2)c1 ZINC001300252541 1068004991 /nfs/dbraw/zinc/00/49/91/1068004991.db2.gz MAFGVDGDUWYAGY-GAJHUEQPSA-N -1 1 456.539 4.095 20 0 JIADMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1nc(N2CCCC2)ncc1Cl ZINC000611753852 1068262811 /nfs/dbraw/zinc/26/28/11/1068262811.db2.gz FEDXXRNYGXIZEX-UHFFFAOYSA-N -1 1 450.952 4.265 20 0 JIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)s3)s2)cc1 ZINC000519398667 1068316057 /nfs/dbraw/zinc/31/60/57/1068316057.db2.gz MZAUJVQRVGVCRO-UHFFFAOYSA-N -1 1 476.649 4.172 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc2)cc1 ZINC000520020151 1068319266 /nfs/dbraw/zinc/31/92/66/1068319266.db2.gz SIQMXQAAKFGWJX-UHFFFAOYSA-N -1 1 476.558 4.383 20 0 JIADMM COc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2cc(OC)cc(OC)c2)CC[C@H](C)C3)on1 ZINC001353730710 1068518635 /nfs/dbraw/zinc/51/86/35/1068518635.db2.gz CCQQHNNBMXLZJG-LBPRGKRZSA-N -1 1 456.520 4.370 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccn(CCc4ccncc4)n3)c2)cc1F ZINC000503773090 1068840107 /nfs/dbraw/zinc/84/01/07/1068840107.db2.gz MNGSNUGOBHFGLV-UHFFFAOYSA-N -1 1 479.537 4.021 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccn(CCc4ccncc4)n3)c2)c1 ZINC000503790591 1068849176 /nfs/dbraw/zinc/84/91/76/1068849176.db2.gz MCDHMCZMCKIAGV-UHFFFAOYSA-N -1 1 475.574 4.191 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)c(Br)c2)ccc1F ZINC001200552489 1068874530 /nfs/dbraw/zinc/87/45/30/1068874530.db2.gz ZTBZXJOAJYIKRG-UHFFFAOYSA-N -1 1 457.090 4.299 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1F ZINC001200558858 1068888706 /nfs/dbraw/zinc/88/87/06/1068888706.db2.gz GZQVKPREVVBRNT-MRXNPFEDSA-N -1 1 479.574 4.129 20 0 JIADMM CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001300576066 1069099061 /nfs/dbraw/zinc/09/90/61/1069099061.db2.gz UOVVIEYLSSIFSC-FPOVZHCZSA-N -1 1 458.530 4.453 20 0 JIADMM C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1cn(C)c2ccccc12 ZINC001300585931 1069132401 /nfs/dbraw/zinc/13/24/01/1069132401.db2.gz XKXVHCLNDNFMIS-XERREHJYSA-N -1 1 475.486 4.484 20 0 JIADMM CC(C)Cn1cc([C@H]2N(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC23CCOCC3)cn1 ZINC000849541965 1069171672 /nfs/dbraw/zinc/17/16/72/1069171672.db2.gz ALTONMQCOGBAEE-JOCHJYFZSA-N -1 1 454.958 4.440 20 0 JIADMM C[C@H]1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2NC1=O ZINC000009903826 195017346 /nfs/dbraw/zinc/01/73/46/195017346.db2.gz HBXAXARMHPOFKO-CQSZACIVSA-N -1 1 453.545 4.172 20 0 JIADMM [O-]C(c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1)(C(F)(F)F)C(F)(F)F ZINC001200731844 1069421745 /nfs/dbraw/zinc/42/17/45/1069421745.db2.gz QNKUMIQFYRWRRZ-UHFFFAOYSA-N -1 1 452.376 4.214 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCc1nccs1 ZINC001359527595 1069817244 /nfs/dbraw/zinc/81/72/44/1069817244.db2.gz QZZFWHUXXFRYHL-UHFFFAOYSA-N -1 1 453.612 4.371 20 0 JIADMM COc1ccc(C[C@H](C)N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1 ZINC001325026336 1066236612 /nfs/dbraw/zinc/23/66/12/1066236612.db2.gz KTAHLQGKHVORTJ-SFHVURJKSA-N -1 1 468.575 4.208 20 0 JIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(NC(=S)NCC2CCC2)ccc1N1CCOCC1 ZINC001325858694 1066271473 /nfs/dbraw/zinc/27/14/73/1066271473.db2.gz AQLDWAIEOFZXES-UHFFFAOYSA-N -1 1 495.070 4.064 20 0 JIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001326563262 1066300788 /nfs/dbraw/zinc/30/07/88/1066300788.db2.gz RENICUIXIIPYAN-UHFFFAOYSA-N -1 1 472.448 4.343 20 0 JIADMM O=C(c1ccc([O-])cc1)C1CCN(c2nnc(C3CCC3)n2CC(F)(F)Br)CC1 ZINC001316553648 1066568555 /nfs/dbraw/zinc/56/85/55/1066568555.db2.gz GTPYQMTWOJONIN-UHFFFAOYSA-N -1 1 469.330 4.338 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCC2(F)F)CC1)C(F)(F)F ZINC001316566581 1066587560 /nfs/dbraw/zinc/58/75/60/1066587560.db2.gz ZZAFDTFZNMOQOM-MRXNPFEDSA-N -1 1 486.489 4.061 20 0 JIADMM Cc1cccc(-c2nnc(COC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)o2)c1 ZINC001341921432 1066591622 /nfs/dbraw/zinc/59/16/22/1066591622.db2.gz SNAKZYHDBFEHTL-UHFFFAOYSA-N -1 1 467.478 4.342 20 0 JIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001344389001 1066627961 /nfs/dbraw/zinc/62/79/61/1066627961.db2.gz SYBCNSJLNSJBPV-SFHVURJKSA-N -1 1 459.527 4.156 20 0 JIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001317733537 1066653887 /nfs/dbraw/zinc/65/38/87/1066653887.db2.gz KSAYISQBFXPQTE-UHFFFAOYSA-N -1 1 481.549 4.213 20 0 JIADMM Cc1nc(CSCC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cs1 ZINC001317765463 1066675554 /nfs/dbraw/zinc/67/55/54/1066675554.db2.gz CYNFQVJZDARLMH-UHFFFAOYSA-N -1 1 484.024 4.483 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)c2)c1 ZINC001348603728 1066761681 /nfs/dbraw/zinc/76/16/81/1066761681.db2.gz IDRCBUVJAIHVQN-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM Cc1cc(C)n2ncc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c2n1 ZINC001317902873 1066772355 /nfs/dbraw/zinc/77/23/55/1066772355.db2.gz STNGAOHONVRURO-UHFFFAOYSA-N -1 1 455.927 4.053 20 0 JIADMM CCOC(=O)c1ccn(-c2cccc([N-]S(=O)(=O)c3ccc(OC)c4ccccc43)c2)n1 ZINC001317905885 1066776111 /nfs/dbraw/zinc/77/61/11/1066776111.db2.gz UMPKTLYNLZEVJW-UHFFFAOYSA-N -1 1 451.504 4.012 20 0 JIADMM CNC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c(C)c1 ZINC001317953824 1066808368 /nfs/dbraw/zinc/80/83/68/1066808368.db2.gz RDPUFDYQEOFWQW-UHFFFAOYSA-N -1 1 451.548 4.025 20 0 JIADMM O=C(COC(=O)c1sccc1NC(=O)c1ccc(Br)cc1)c1ccc([O-])cc1O ZINC001317968715 1066821221 /nfs/dbraw/zinc/82/12/21/1066821221.db2.gz AQJDKCYKIFOLIT-UHFFFAOYSA-N -1 1 476.304 4.214 20 0 JIADMM Cc1ccn(-c2cccc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)c2)n1 ZINC001317989232 1066835196 /nfs/dbraw/zinc/83/51/96/1066835196.db2.gz KDGSWUMTFYDBGW-UHFFFAOYSA-N -1 1 490.541 4.005 20 0 JIADMM C[C@@H](COc1ccccc1F)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001317992365 1066837828 /nfs/dbraw/zinc/83/78/28/1066837828.db2.gz BUAQOJHCDSYWSV-AWEZNQCLSA-N -1 1 464.465 4.102 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)cc2)c1C ZINC001317993010 1066838153 /nfs/dbraw/zinc/83/81/53/1066838153.db2.gz TYVKIFZHTYTXPX-UHFFFAOYSA-N -1 1 483.521 4.452 20 0 JIADMM CC(C)(C)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC001318078949 1066888978 /nfs/dbraw/zinc/88/89/78/1066888978.db2.gz XVMPTWODJRKLOG-UHFFFAOYSA-N -1 1 470.422 4.351 20 0 JIADMM COc1ccc(C[C@H](C)N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC001318103867 1066901349 /nfs/dbraw/zinc/90/13/49/1066901349.db2.gz DINBLPIIDIPORC-SFHVURJKSA-N -1 1 470.566 4.267 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2)c1C ZINC001318104793 1066901750 /nfs/dbraw/zinc/90/17/50/1066901750.db2.gz BQCKZMXMEIEWHG-UHFFFAOYSA-N -1 1 477.586 4.479 20 0 JIADMM Cc1n[nH]c(C)c1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC001349979539 1066901852 /nfs/dbraw/zinc/90/18/52/1066901852.db2.gz SWMHRHKOHJMVRG-UHFFFAOYSA-N -1 1 490.585 4.336 20 0 JIADMM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])ccc1N1CCCC1=O ZINC001318140326 1066919843 /nfs/dbraw/zinc/91/98/43/1066919843.db2.gz CKGBEHGLRUTPND-QHCPKHFHSA-N -1 1 457.530 4.224 20 0 JIADMM Cc1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C)n1Cc1ccco1 ZINC001318188160 1066947538 /nfs/dbraw/zinc/94/75/38/1066947538.db2.gz PZWIVYBVBHCUID-UHFFFAOYSA-N -1 1 463.559 4.477 20 0 JIADMM C[C@H](COc1ccccc1F)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001318214188 1066963222 /nfs/dbraw/zinc/96/32/22/1066963222.db2.gz UDPRCQAXXBPSIT-GOSISDBHSA-N -1 1 471.554 4.235 20 0 JIADMM CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2OC)cc1 ZINC001319160328 1067068701 /nfs/dbraw/zinc/06/87/01/1067068701.db2.gz GOLBKGRAJLEWOJ-LEWJYISDSA-N -1 1 486.590 4.444 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC([C@@H]4c5ccccc5NC4=O)CC3)cc2)cc1 ZINC001321425860 1067124852 /nfs/dbraw/zinc/12/48/52/1067124852.db2.gz ZLFKEMKHWBTFSZ-RUZDIDTESA-N -1 1 489.597 4.384 20 0 JIADMM CN(C)c1nc(NC(=S)Nc2c(F)cc(Br)cc2Br)c(N=O)c(=O)[n-]1 ZINC001200798081 1067171883 /nfs/dbraw/zinc/17/18/83/1067171883.db2.gz WJRQBHXUXBVZJU-UHFFFAOYSA-N -1 1 494.144 4.119 20 0 JIADMM COc1ccc(-c2ocnc2C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)cc1 ZINC001351730366 1067182400 /nfs/dbraw/zinc/18/24/00/1067182400.db2.gz MRABBWTZXYTDBM-UHFFFAOYSA-N -1 1 454.284 4.005 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)cc2)cc1 ZINC001321946770 1067231544 /nfs/dbraw/zinc/23/15/44/1067231544.db2.gz NKFQLKNPXRJIDO-UHFFFAOYSA-N -1 1 469.494 4.144 20 0 JIADMM O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccc([O-])cc1O ZINC001322903662 1067311147 /nfs/dbraw/zinc/31/11/47/1067311147.db2.gz CPBDNYHPYPQOFN-UHFFFAOYSA-N -1 1 486.263 4.245 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCOC3=O)ccc2F)cc1 ZINC001324090783 1067332924 /nfs/dbraw/zinc/33/29/24/1067332924.db2.gz KOBZKZQOWJGDRJ-UHFFFAOYSA-N -1 1 469.494 4.144 20 0 JIADMM COc1cccc(Cc2nnc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)s2)c1 ZINC000500978213 1067389961 /nfs/dbraw/zinc/38/99/61/1067389961.db2.gz MSVJOXDWDOIFPU-UHFFFAOYSA-N -1 1 498.561 4.330 20 0 JIADMM CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC001300028611 1067407941 /nfs/dbraw/zinc/40/79/41/1067407941.db2.gz GPZXGEVQYDYJBM-UHFFFAOYSA-N -1 1 453.417 4.236 20 0 JIADMM Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)cc12 ZINC001300043867 1067484685 /nfs/dbraw/zinc/48/46/85/1067484685.db2.gz WMUBSPNYWGIBQX-HOCLYGCPSA-N -1 1 464.513 4.375 20 0 JIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001356235956 1067702659 /nfs/dbraw/zinc/70/26/59/1067702659.db2.gz JKSZOZBQURQZMU-HNNXBMFYSA-N -1 1 452.882 4.385 20 0 JIADMM O=C1C(N2CCOCC2)=CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC001200132993 1067720182 /nfs/dbraw/zinc/72/01/82/1067720182.db2.gz SPCXIIKGGMSSSL-UHFFFAOYSA-N -1 1 498.004 4.247 20 0 JIADMM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncc(CO)cc1Br ZINC001200246629 1067887799 /nfs/dbraw/zinc/88/77/99/1067887799.db2.gz KYTGRXBDUSPVKM-UHFFFAOYSA-N -1 1 457.390 4.224 20 0 JIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001300256816 1068016071 /nfs/dbraw/zinc/01/60/71/1068016071.db2.gz PIFVCFPGBVDFMF-UHFFFAOYSA-N -1 1 454.571 4.036 20 0 JIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2)ccc1F ZINC000491346279 1068047365 /nfs/dbraw/zinc/04/73/65/1068047365.db2.gz NHYNKNYDEAYSCX-UHFFFAOYSA-N -1 1 469.523 4.101 20 0 JIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc2)cc1 ZINC000615838976 1068323715 /nfs/dbraw/zinc/32/37/15/1068323715.db2.gz JCKUNEUVZUQYIE-UHFFFAOYSA-N -1 1 474.542 4.187 20 0 JIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cc(-c2cccs2)[nH]n1 ZINC000617365410 1068336854 /nfs/dbraw/zinc/33/68/54/1068336854.db2.gz MPBLUEWMJJQRKY-UHFFFAOYSA-N -1 1 456.524 4.259 20 0 JIADMM O=C(Nc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)c1)OCC(F)(F)F ZINC001300461382 1068797006 /nfs/dbraw/zinc/79/70/06/1068797006.db2.gz DWSFEVKBABBNNZ-QGZVFWFLSA-N -1 1 454.401 4.090 20 0 JIADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3ccccc3)c2N2CCC[C@@H](NC(=S)NC3CC3)C2)S1 ZINC001200637553 1069132551 /nfs/dbraw/zinc/13/25/51/1069132551.db2.gz GHBQWVJAXHYDEL-BWCLHNGZSA-N -1 1 478.643 4.273 20 0 JIADMM COCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001315763712 1065079916 /nfs/dbraw/zinc/07/99/16/1065079916.db2.gz LGUFVLJMTZJFMW-UHFFFAOYSA-N -1 1 452.555 4.324 20 0 JIADMM CSc1cc(C)ccc1Cn1c(C2CC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001316413445 1066204943 /nfs/dbraw/zinc/20/49/43/1066204943.db2.gz BQMNUHYXJVRDDJ-UHFFFAOYSA-N -1 1 467.561 4.129 20 0 JIADMM COc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1 ZINC001325026325 1066236584 /nfs/dbraw/zinc/23/65/84/1066236584.db2.gz KTAHLQGKHVORTJ-GOSISDBHSA-N -1 1 468.575 4.208 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)NCc3ccco3)c2)cc1C ZINC001325261703 1066242544 /nfs/dbraw/zinc/24/25/44/1066242544.db2.gz PAYXYUJXHLQWCQ-MRXNPFEDSA-N -1 1 490.965 4.212 20 0 JIADMM Cc1cc([C@H](C)NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)c(C)o1 ZINC001337903365 1066519476 /nfs/dbraw/zinc/51/94/76/1066519476.db2.gz YDQQMPNCKQTDEX-HRAATJIYSA-N -1 1 482.606 4.200 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])CC2)c1 ZINC001337934469 1066520912 /nfs/dbraw/zinc/52/09/12/1066520912.db2.gz MJASVLMJHOLKEI-UHFFFAOYSA-N -1 1 481.499 4.330 20 0 JIADMM O=C(COc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1)Nc1ccc(SC(F)F)cc1 ZINC001338251918 1066540615 /nfs/dbraw/zinc/54/06/15/1066540615.db2.gz CVIPTBYZMJHTBS-UHFFFAOYSA-N -1 1 487.410 4.408 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3ccccc3F)n2Cc2cccs2)CC1)C(F)(F)F ZINC001316563867 1066582290 /nfs/dbraw/zinc/58/22/90/1066582290.db2.gz BLMOHTXVOBPOOX-UHFFFAOYSA-N -1 1 467.492 4.089 20 0 JIADMM COc1ccccc1N1C[C@@H](C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1=O ZINC001344786626 1066635596 /nfs/dbraw/zinc/63/55/96/1066635596.db2.gz JWCATVNYIIGZJT-INIZCTEOSA-N -1 1 475.526 4.169 20 0 JIADMM CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC001345703861 1066645911 /nfs/dbraw/zinc/64/59/11/1066645911.db2.gz QYJPJBMTBXTBIJ-INIZCTEOSA-N -1 1 483.571 4.252 20 0 JIADMM COc1ccc(NC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1[N-]S(C)(=O)=O ZINC001345884895 1066648646 /nfs/dbraw/zinc/64/86/46/1066648646.db2.gz KZBFLMZSMRCTQN-UHFFFAOYSA-N -1 1 498.936 4.048 20 0 JIADMM Cc1cccc(OCc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@H]2CC=CCC2)c1 ZINC001492543527 1066667401 /nfs/dbraw/zinc/66/74/01/1066667401.db2.gz OFUZNIJCJDLCBU-FQEVSTJZSA-N -1 1 491.558 4.417 20 0 JIADMM COc1ccc(N(Cc2ccccc2)C(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1OC ZINC001317803583 1066698722 /nfs/dbraw/zinc/69/87/22/1066698722.db2.gz MQQJPKJJSHNKRN-UHFFFAOYSA-N -1 1 453.564 4.396 20 0 JIADMM O=C(Nc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)c([O-])c1)c1cc(F)cc(F)c1 ZINC001348065103 1066718710 /nfs/dbraw/zinc/71/87/10/1066718710.db2.gz YPCCDGQONFNFPV-UHFFFAOYSA-N -1 1 465.378 4.309 20 0 JIADMM CCOC(=O)C1=C(NC(=O)Cc2ccc(C)c(Br)c2)[N-]c2ccccc2N=C1C ZINC001348174296 1066725782 /nfs/dbraw/zinc/72/57/82/1066725782.db2.gz MOAMHSUPQDVZGW-UHFFFAOYSA-N -1 1 456.340 4.409 20 0 JIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C(=O)N(C)C)C3)cc2)c1C ZINC001348604280 1066762065 /nfs/dbraw/zinc/76/20/65/1066762065.db2.gz OYCYZLKNJVWMMS-OAQYLSRUSA-N -1 1 499.677 4.342 20 0 JIADMM CC(C)CC(=O)N1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001317940634 1066799862 /nfs/dbraw/zinc/79/98/62/1066799862.db2.gz MUSOXHMQKKEDCE-UHFFFAOYSA-N -1 1 498.432 4.125 20 0 JIADMM CCOC(=O)C1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CCCC1 ZINC001317959069 1066812392 /nfs/dbraw/zinc/81/23/92/1066812392.db2.gz NRILOWRNXWVMJZ-UHFFFAOYSA-N -1 1 499.416 4.329 20 0 JIADMM O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001317970452 1066822333 /nfs/dbraw/zinc/82/23/33/1066822333.db2.gz QRKVJAYFGIDQEB-UHFFFAOYSA-N -1 1 466.494 4.248 20 0 JIADMM Cc1cc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c(C)o1 ZINC001318016363 1066853848 /nfs/dbraw/zinc/85/38/48/1066853848.db2.gz IENVIDUSGFMJPZ-INIZCTEOSA-N -1 1 470.547 4.350 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)CC2)c1 ZINC001318064165 1066881121 /nfs/dbraw/zinc/88/11/21/1066881121.db2.gz RGENCOOWPOTDBI-UHFFFAOYSA-N -1 1 483.565 4.034 20 0 JIADMM COc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)cc1-c1ccccc1 ZINC001318070883 1066883823 /nfs/dbraw/zinc/88/38/23/1066883823.db2.gz KGHOHFFEYSWOAU-UHFFFAOYSA-N -1 1 455.413 4.077 20 0 JIADMM COC(=O)N1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1 ZINC001318117374 1066908625 /nfs/dbraw/zinc/90/86/25/1066908625.db2.gz DPDXDEZCAXLZNC-UHFFFAOYSA-N -1 1 487.622 4.008 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)ccc2C)cc1 ZINC001318121678 1066910389 /nfs/dbraw/zinc/91/03/89/1066910389.db2.gz HKUGMOYSELPOPT-XMMPIXPASA-N -1 1 491.613 4.139 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)CC2)c1 ZINC001318135149 1066917317 /nfs/dbraw/zinc/91/73/17/1066917317.db2.gz HFIVXTLCYZCNJW-UHFFFAOYSA-N -1 1 497.592 4.342 20 0 JIADMM COc1ccccc1C1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC001318167492 1066934902 /nfs/dbraw/zinc/93/49/02/1066934902.db2.gz VHPWEFPBESSIIP-UHFFFAOYSA-N -1 1 450.560 4.234 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccc(N(C)C)cc3)c2)c1 ZINC001318181605 1066943720 /nfs/dbraw/zinc/94/37/20/1066943720.db2.gz VFQMVZGTZWUHON-UHFFFAOYSA-N -1 1 451.592 4.143 20 0 JIADMM C[C@@H](COc1ccccc1F)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001318214189 1066963064 /nfs/dbraw/zinc/96/30/64/1066963064.db2.gz UDPRCQAXXBPSIT-SFHVURJKSA-N -1 1 471.554 4.235 20 0 JIADMM Cc1noc(-c2ccc(C(=O)N(C)Cc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)n1 ZINC001318214265 1066963248 /nfs/dbraw/zinc/96/32/48/1066963248.db2.gz QKOTVSAHWCUQPB-UHFFFAOYSA-N -1 1 462.531 4.118 20 0 JIADMM COc1cccc2cc(CNC(=O)NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)oc21 ZINC001318226411 1066971344 /nfs/dbraw/zinc/97/13/44/1066971344.db2.gz OUBKBNCEDCPJIR-UHFFFAOYSA-N -1 1 465.531 4.242 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2)cc1 ZINC001320256097 1067087637 /nfs/dbraw/zinc/08/76/37/1067087637.db2.gz BTOSWVFHNZCRMD-UHFFFAOYSA-N -1 1 493.585 4.261 20 0 JIADMM CCOc1ccc2c(c1)CN(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)CC2 ZINC001321435440 1067127676 /nfs/dbraw/zinc/12/76/76/1067127676.db2.gz GIHFVTLIQSJBLS-UHFFFAOYSA-N -1 1 465.575 4.154 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)c2)cc1 ZINC001322052449 1067244968 /nfs/dbraw/zinc/24/49/68/1067244968.db2.gz RKYFNJBDLVBEKM-UHFFFAOYSA-N -1 1 494.569 4.089 20 0 JIADMM CC(C)N(CCc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001322108453 1067252929 /nfs/dbraw/zinc/25/29/29/1067252929.db2.gz COZSWSXSNFHEPS-UHFFFAOYSA-N -1 1 478.574 4.163 20 0 JIADMM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1F ZINC001200810558 1067260517 /nfs/dbraw/zinc/26/05/17/1067260517.db2.gz HQXUNMBAPUMADH-UHFFFAOYSA-N -1 1 467.538 4.131 20 0 JIADMM CCOC(=O)C1=C(NC(=O)Cc2csc(-c3ccc(C)o3)n2)[N-]c2ccccc2N=C1C ZINC001352132230 1067295792 /nfs/dbraw/zinc/29/57/92/1067295792.db2.gz LMRPDYQZYNVPQB-UHFFFAOYSA-N -1 1 450.520 4.363 20 0 JIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)N1CCCC[C@@H]1CO ZINC001322613154 1067306510 /nfs/dbraw/zinc/30/65/10/1067306510.db2.gz BVIBWOXAQYEDRG-OAQYLSRUSA-N -1 1 450.560 4.141 20 0 JIADMM O=C(COC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc([O-])cc1O ZINC001323994120 1067330990 /nfs/dbraw/zinc/33/09/90/1067330990.db2.gz KBPAQEKNMKXHEE-ATIYNZHBSA-N -1 1 459.498 4.004 20 0 JIADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001300042385 1067479047 /nfs/dbraw/zinc/47/90/47/1067479047.db2.gz DRKZYEUUUGKMNP-JQWIXIFHSA-N -1 1 467.435 4.306 20 0 JIADMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000479196161 1067801046 /nfs/dbraw/zinc/80/10/46/1067801046.db2.gz OSELCYOWONIORZ-UHFFFAOYSA-N -1 1 478.496 4.133 20 0 JIADMM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1c(Cl)nc(Cl)nc1C(=O)OC ZINC001200247392 1067888431 /nfs/dbraw/zinc/88/84/31/1067888431.db2.gz QOYHYZDATPYXGZ-UHFFFAOYSA-N -1 1 476.382 4.457 20 0 JIADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)n[nH]1 ZINC000490254572 1067896783 /nfs/dbraw/zinc/89/67/83/1067896783.db2.gz GVQMTDROJFAWPH-SJCJKPOMSA-N -1 1 475.368 4.349 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3F)[C@H](C)O)ccc2C)cc1 ZINC001300252535 1068004780 /nfs/dbraw/zinc/00/47/80/1068004780.db2.gz LVWOWIHLVNMEMG-SBUREZEXSA-N -1 1 456.539 4.095 20 0 JIADMM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001200297860 1068014625 /nfs/dbraw/zinc/01/46/25/1068014625.db2.gz FBCBDAJAICMXPR-UHFFFAOYSA-N -1 1 473.639 4.242 20 0 JIADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Nc3nc4ccccc4s3)c2)c1 ZINC000511200093 1068191920 /nfs/dbraw/zinc/19/19/20/1068191920.db2.gz AXTHNWVIMCISSA-UHFFFAOYSA-N -1 1 488.616 4.091 20 0 JIADMM 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CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)[n-]1 ZINC001300607595 1069205684 /nfs/dbraw/zinc/20/56/84/1069205684.db2.gz JJFLDLQUJDIWLG-ZALIOYGISA-N -1 1 451.354 4.364 20 0 JIADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)n1 ZINC001300607595 1069205703 /nfs/dbraw/zinc/20/57/03/1069205703.db2.gz JJFLDLQUJDIWLG-ZALIOYGISA-N -1 1 451.354 4.364 20 0 JIADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359696957 1070356783 /nfs/dbraw/zinc/35/67/83/1070356783.db2.gz CPMFVUGMWFIVQQ-LJQANCHMSA-N -1 1 466.552 4.131 20 0 JIADMM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001475216296 1066254652 /nfs/dbraw/zinc/25/46/52/1066254652.db2.gz QYVPFTGWPURNHG-KRWDZBQOSA-N -1 1 450.771 4.241 20 0 JIADMM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001475216297 1066254984 /nfs/dbraw/zinc/25/49/84/1066254984.db2.gz QYVPFTGWPURNHG-QGZVFWFLSA-N -1 1 450.771 4.241 20 0 JIADMM CCN(CC)Cc1csc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)n1 ZINC001331705680 1066362142 /nfs/dbraw/zinc/36/21/42/1066362142.db2.gz XIWMEVLXUQJFDR-UHFFFAOYSA-N -1 1 476.599 4.486 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C(C)(C)OC)no3)c2)cc1Br ZINC001334875186 1066403701 /nfs/dbraw/zinc/40/37/01/1066403701.db2.gz XHAQJBXULOQYMA-UHFFFAOYSA-N -1 1 482.356 4.190 20 0 JIADMM Cc1cc([C@@H](C)NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)c(C)o1 ZINC001337903375 1066519714 /nfs/dbraw/zinc/51/97/14/1066519714.db2.gz YDQQMPNCKQTDEX-IIBYNOLFSA-N -1 1 482.606 4.200 20 0 JIADMM CCN(CC)c1ccc(NC(=O)/C=C/c2nccs2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC001338198679 1066537100 /nfs/dbraw/zinc/53/71/00/1066537100.db2.gz QWFCMIFEVLXUAY-OUKQBFOZSA-N -1 1 486.619 4.451 20 0 JIADMM O=C(c1ccc([O-])cc1)C1CCN(c2nnc(Cc3ccsc3)n2CCOCC(F)F)CC1 ZINC001316554950 1066570633 /nfs/dbraw/zinc/57/06/33/1066570633.db2.gz RLYAPDDZNSHYHY-UHFFFAOYSA-N -1 1 476.549 4.017 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC001345717620 1066646714 /nfs/dbraw/zinc/64/67/14/1066646714.db2.gz IUIGBBJEJDJMEP-UHFFFAOYSA-N -1 1 484.647 4.170 20 0 JIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001317743400 1066660988 /nfs/dbraw/zinc/66/09/88/1066660988.db2.gz DCOSWBZIKUYSHM-UHFFFAOYSA-N -1 1 481.549 4.213 20 0 JIADMM CCN(Cc1ccccc1F)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001317794144 1066693573 /nfs/dbraw/zinc/69/35/73/1066693573.db2.gz MKXPQZJOYXHLFS-UHFFFAOYSA-N -1 1 484.549 4.450 20 0 JIADMM O=C(NCc1ccc2c(c1)CCC2)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC001317844076 1066727269 /nfs/dbraw/zinc/72/72/69/1066727269.db2.gz UPDYONXLDDILDD-UHFFFAOYSA-N -1 1 478.570 4.067 20 0 JIADMM O=C(COC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc([O-])cc1O ZINC001317941922 1066800692 /nfs/dbraw/zinc/80/06/92/1066800692.db2.gz NDRSSUZVUVNSHW-UHFFFAOYSA-N -1 1 470.275 4.152 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3csc(C)n3)cc2)cc1OC ZINC001317945247 1066803076 /nfs/dbraw/zinc/80/30/76/1066803076.db2.gz GYPAGSONDQXEBF-UHFFFAOYSA-N -1 1 493.632 4.141 20 0 JIADMM O=C1OCCN1c1ccc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC001317965999 1066817708 /nfs/dbraw/zinc/81/77/08/1066817708.db2.gz CSOCBLHIIRRNTR-UHFFFAOYSA-N -1 1 494.136 4.108 20 0 JIADMM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1N1CCCC1=O ZINC001317967285 1066819573 /nfs/dbraw/zinc/81/95/73/1066819573.db2.gz RPDDWCFNBOBFBF-UHFFFAOYSA-N -1 1 467.522 4.314 20 0 JIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317990585 1066836725 /nfs/dbraw/zinc/83/67/25/1066836725.db2.gz RTAZCHHUXZHFMM-UHFFFAOYSA-N -1 1 488.525 4.093 20 0 JIADMM CCOC(=O)C1=C(NC(=O)CCCc2ccc(OC)c(OC)c2)[N-]c2ccccc2N=C1C ZINC001349921932 1066896971 /nfs/dbraw/zinc/89/69/71/1066896971.db2.gz IHUOCKYWFXJLMD-UHFFFAOYSA-N -1 1 451.523 4.136 20 0 JIADMM COc1ccccc1C1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCC1 ZINC001318098084 1066898154 /nfs/dbraw/zinc/89/81/54/1066898154.db2.gz BLBXMPOKDCCZJF-UHFFFAOYSA-N -1 1 494.569 4.328 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)c1 ZINC001318129935 1066914264 /nfs/dbraw/zinc/91/42/64/1066914264.db2.gz FHEPNBTZSGCENT-DEOSSOPVSA-N -1 1 491.613 4.139 20 0 JIADMM CN(C)c1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)cc1 ZINC001318191458 1066949339 /nfs/dbraw/zinc/94/93/39/1066949339.db2.gz UQQBRNPBUHARET-UHFFFAOYSA-N -1 1 475.973 4.318 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001318284491 1067001794 /nfs/dbraw/zinc/00/17/94/1067001794.db2.gz GKAAUKDUXTXHJO-JOCHJYFZSA-N -1 1 491.613 4.139 20 0 JIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001321491778 1067146568 /nfs/dbraw/zinc/14/65/68/1067146568.db2.gz VULWCKMDOMQNOV-UHFFFAOYSA-N -1 1 498.536 4.247 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)nn3C)c2)cc1 ZINC001321512785 1067152305 /nfs/dbraw/zinc/15/23/05/1067152305.db2.gz RJIPTEZUXZUJRL-UHFFFAOYSA-N -1 1 456.568 4.169 20 0 JIADMM CCOc1ccc2c(c1)CN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c1)CC2 ZINC001322114623 1067254398 /nfs/dbraw/zinc/25/43/98/1067254398.db2.gz YERNOQHZJXQIEZ-UHFFFAOYSA-N -1 1 454.523 4.224 20 0 JIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3c4ccccc4CC[C@H]3C)cc2)cc1 ZINC001323390863 1067319562 /nfs/dbraw/zinc/31/95/62/1067319562.db2.gz SQMWQUIDIUAGRS-LJQANCHMSA-N -1 1 491.613 4.261 20 0 JIADMM O=C(COC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc([O-])cc1O ZINC001323993143 1067331036 /nfs/dbraw/zinc/33/10/36/1067331036.db2.gz ABTPLDUMLLTFKF-UHFFFAOYSA-N -1 1 470.275 4.152 20 0 JIADMM O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000500929285 1067362865 /nfs/dbraw/zinc/36/28/65/1067362865.db2.gz SIWPKYCHZUALFL-UHFFFAOYSA-N -1 1 486.525 4.460 20 0 JIADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC(=O)Nc3cc(C)on3)ccc2C)cc1 ZINC000482498925 1067803195 /nfs/dbraw/zinc/80/31/95/1067803195.db2.gz ASZJMJRFPYMBRC-UHFFFAOYSA-N -1 1 498.605 4.146 20 0 JIADMM Cc1cc(Br)cc(C)c1NC(=S)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001200228664 1067872122 /nfs/dbraw/zinc/87/21/22/1067872122.db2.gz BQZREVDHFSTCHL-UHFFFAOYSA-N -1 1 455.314 4.025 20 0 JIADMM O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000491313516 1068042825 /nfs/dbraw/zinc/04/28/25/1068042825.db2.gz ZAFSASGUHSAWHK-UHFFFAOYSA-N -1 1 480.852 4.403 20 0 JIADMM CC(C)c1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001545693487 1068083116 /nfs/dbraw/zinc/08/31/16/1068083116.db2.gz WYVXZWBVJOVHLH-UHFFFAOYSA-N -1 1 456.539 4.445 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc4c([nH]c3=O)CCCC4)cc2)cc1C ZINC001300363118 1068394229 /nfs/dbraw/zinc/39/42/29/1068394229.db2.gz BFFUCDDEWHPGQG-UHFFFAOYSA-N -1 1 451.548 4.336 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)CNC(=O)OC(C)(C)C)cc2)ccc1F ZINC001200491754 1068733830 /nfs/dbraw/zinc/73/38/30/1068733830.db2.gz PMYBPAMZKRHYJJ-UHFFFAOYSA-N -1 1 452.548 4.437 20 0 JIADMM CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000849477228 1069045242 /nfs/dbraw/zinc/04/52/42/1069045242.db2.gz QCKPJCYRBIGINV-UHFFFAOYSA-N -1 1 485.528 4.387 20 0 JIADMM CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCCOCCc1ccccc1 ZINC001359505014 1069774709 /nfs/dbraw/zinc/77/47/09/1069774709.db2.gz MXDKYLUQICLZCR-UHFFFAOYSA-N -1 1 495.590 4.120 20 0 JIADMM CSCCCCn1c(Cc2ccccc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001316462402 1066359471 /nfs/dbraw/zinc/35/94/71/1066359471.db2.gz YNWZUUGUBREJSG-UHFFFAOYSA-N -1 1 483.604 4.215 20 0 JIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)nc2)c(C)c1NS(C)(=O)=O ZINC001337568609 1066493901 /nfs/dbraw/zinc/49/39/01/1066493901.db2.gz CMGGLXJMSPUSQI-UHFFFAOYSA-N -1 1 479.555 4.111 20 0 JIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC001337740886 1066506828 /nfs/dbraw/zinc/50/68/28/1066506828.db2.gz YFWBTSWHWYEQOE-UHFFFAOYSA-N -1 1 499.614 4.016 20 0 JIADMM O=C([N-]CC1CCN(c2nnc([C@H]3CCCO3)n2CCCCc2ccccc2)CC1)C(F)(F)F ZINC001316565698 1066585806 /nfs/dbraw/zinc/58/58/06/1066585806.db2.gz PQECPOBEZYOADB-HXUWFJFHSA-N -1 1 479.547 4.047 20 0 JIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317702808 1066636839 /nfs/dbraw/zinc/63/68/39/1066636839.db2.gz WTTMZZCYIRKHDG-AZUAARDMSA-N -1 1 470.591 4.301 20 0 JIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cn2c(cccc2C)n1 ZINC001317709198 1066640530 /nfs/dbraw/zinc/64/05/30/1066640530.db2.gz BVDATGBZEKQRBL-UHFFFAOYSA-N -1 1 470.938 4.358 20 0 JIADMM Cc1cccc2nc(C(=O)Nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3[O-])cn21 ZINC001317779179 1066683049 /nfs/dbraw/zinc/68/30/49/1066683049.db2.gz HDCVIVZVCFGOSK-UHFFFAOYSA-N -1 1 456.911 4.055 20 0 JIADMM Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cs1 ZINC001317807370 1066700626 /nfs/dbraw/zinc/70/06/26/1066700626.db2.gz FRVZFLHJAXMRLC-UHFFFAOYSA-N -1 1 468.604 4.177 20 0 JIADMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1 ZINC001348459484 1066746882 /nfs/dbraw/zinc/74/68/82/1066746882.db2.gz NQSMMESIUNCQIC-UHFFFAOYSA-N -1 1 459.282 4.355 20 0 JIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)cc1)c1ccc(F)cc1 ZINC001318022758 1066857052 /nfs/dbraw/zinc/85/70/52/1066857052.db2.gz OPJKLGOVBJSLER-UHFFFAOYSA-N -1 1 467.522 4.001 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(-n4cnc5ccccc54)nc3)c2)c1 ZINC001318072327 1066884206 /nfs/dbraw/zinc/88/42/06/1066884206.db2.gz IALYSTKWWNOJJI-UHFFFAOYSA-N -1 1 497.580 4.460 20 0 JIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)cc2)c(C)c1C ZINC001318073903 1066886051 /nfs/dbraw/zinc/88/60/51/1066886051.db2.gz PCLDZYMWZYGCQV-JOCHJYFZSA-N -1 1 497.661 4.160 20 0 JIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001318113267 1066906202 /nfs/dbraw/zinc/90/62/02/1066906202.db2.gz IAXLRWSVJDVOQK-FQEVSTJZSA-N -1 1 497.661 4.224 20 0 JIADMM CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001318125372 1066912558 /nfs/dbraw/zinc/91/25/58/1066912558.db2.gz DSECJALLYKHVHE-UHFFFAOYSA-N -1 1 495.601 4.442 20 0 JIADMM O=C(CN1C(=O)[N-][C@](c2ccccc2)(C(F)(F)F)C1=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001318239824 1066979066 /nfs/dbraw/zinc/97/90/66/1066979066.db2.gz MFOWJPFISWBYPT-IBGZPJMESA-N -1 1 493.791 4.245 20 0 JIADMM CCOc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC001318297382 1067006716 /nfs/dbraw/zinc/00/67/16/1067006716.db2.gz JQWCVINWWBRINH-QFIPXVFZSA-N -1 1 462.546 4.216 20 0 JIADMM CNC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)c1 ZINC001319462400 1067073297 /nfs/dbraw/zinc/07/32/97/1067073297.db2.gz GOUQPGSWDASCCI-UHFFFAOYSA-N -1 1 451.548 4.025 20 0 JIADMM C[C@H]1CCc2nc(NC(=O)NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)sc2C1 ZINC001321426347 1067125332 /nfs/dbraw/zinc/12/53/32/1067125332.db2.gz GISNGSYLACJDBC-HNNXBMFYSA-N -1 1 456.593 4.390 20 0 JIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC001321580640 1067171220 /nfs/dbraw/zinc/17/12/20/1067171220.db2.gz LITDPACXADXRTF-UHFFFAOYSA-N -1 1 464.522 4.084 20 0 JIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC001321796841 1067212598 /nfs/dbraw/zinc/21/25/98/1067212598.db2.gz ANFCWHROEYWPKX-UHFFFAOYSA-N -1 1 450.988 4.219 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3CN3CCCC3=O)ccc2C)c1 ZINC001322052146 1067244919 /nfs/dbraw/zinc/24/49/19/1067244919.db2.gz ZCJUUUPILWPXOC-UHFFFAOYSA-N -1 1 477.586 4.479 20 0 JIADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001322415792 1067289843 /nfs/dbraw/zinc/28/98/43/1067289843.db2.gz ZCXLERBKTKZLRK-UBQIGYKKSA-N -1 1 494.038 4.337 20 0 JIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2)cc1 ZINC001324478069 1067342104 /nfs/dbraw/zinc/34/21/04/1067342104.db2.gz HPAACSXAIZLBHY-UHFFFAOYSA-N -1 1 491.569 4.065 20 0 JIADMM CC[C@@]1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2)CCC(=O)NC1=O ZINC001200132063 1067716776 /nfs/dbraw/zinc/71/67/76/1067716776.db2.gz AEKAHWNYGOBVIK-QHCPKHFHSA-N -1 1 456.951 4.378 20 0 JIADMM Cc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000476876353 1067800160 /nfs/dbraw/zinc/80/01/60/1067800160.db2.gz CZQNNPZXORRXIR-UHFFFAOYSA-N -1 1 450.495 4.373 20 0 JIADMM O=C(Nc1nnc(C(F)F)s1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000489569950 1067859712 /nfs/dbraw/zinc/85/97/12/1067859712.db2.gz LZMXSFZFKIJHRY-UHFFFAOYSA-N -1 1 462.862 4.321 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(N(C)C)c3)c2)cc1 ZINC001300247695 1067980219 /nfs/dbraw/zinc/98/02/19/1067980219.db2.gz YHXJCXWIRNBTGN-UHFFFAOYSA-N -1 1 457.527 4.344 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3F)[C@H](C)O)ccc2C)cc1 ZINC001300252533 1068004576 /nfs/dbraw/zinc/00/45/76/1068004576.db2.gz LVWOWIHLVNMEMG-GAJHUEQPSA-N -1 1 456.539 4.095 20 0 JIADMM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(N2CCN(C3COC3)CC2)cc1 ZINC001200309626 1068040003 /nfs/dbraw/zinc/04/00/03/1068040003.db2.gz AYWWRSJXZKYTLJ-UHFFFAOYSA-N -1 1 487.666 4.095 20 0 JIADMM CC(C)Cc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000491467581 1068054992 /nfs/dbraw/zinc/05/49/92/1068054992.db2.gz IMXJRKVIDICONL-UHFFFAOYSA-N -1 1 452.508 4.068 20 0 JIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCNc3cnccn3)cc2)c1C ZINC000510766439 1068176708 /nfs/dbraw/zinc/17/67/08/1068176708.db2.gz PKTPWDXKWANFGF-UHFFFAOYSA-N -1 1 481.622 4.034 20 0 JIADMM Cc1ccccc1-c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)n[nH]1 ZINC000512363979 1068227994 /nfs/dbraw/zinc/22/79/94/1068227994.db2.gz XSFDSOMIGOPLHD-UHFFFAOYSA-N -1 1 490.541 4.209 20 0 JIADMM C[C@@H](COCC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001300329965 1068268588 /nfs/dbraw/zinc/26/85/88/1068268588.db2.gz UXUOYQDCUICIMJ-AWEZNQCLSA-N -1 1 456.486 4.051 20 0 JIADMM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000521474907 1068333829 /nfs/dbraw/zinc/33/38/29/1068333829.db2.gz GQJJYKQRPRQNMI-UHFFFAOYSA-N -1 1 467.576 4.294 20 0 JIADMM Cc1c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n[nH]c1C(F)(F)F ZINC000621644970 1068357896 /nfs/dbraw/zinc/35/78/96/1068357896.db2.gz SKQRHLVXZACNIZ-UHFFFAOYSA-N -1 1 458.849 4.443 20 0 JIADMM COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001300409032 1068584362 /nfs/dbraw/zinc/58/43/62/1068584362.db2.gz QGPWEPCIRILROZ-RIFUYLIYSA-N -1 1 458.496 4.270 20 0 JIADMM COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001300409345 1068585901 /nfs/dbraw/zinc/58/59/01/1068585901.db2.gz QGPWEPCIRILROZ-ZFSSFNRBSA-N -1 1 458.496 4.270 20 0 JIADMM CC(C)Cc1nsc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC001300418566 1068622593 /nfs/dbraw/zinc/62/25/93/1068622593.db2.gz HDQJMBZFMZOMHF-UHFFFAOYSA-N -1 1 450.973 4.443 20 0 JIADMM CCOC(=O)c1csc2nc(-c3cccc([N-]S(=O)(=O)c4ccc(F)c(OC)c4)c3)cn12 ZINC001200558959 1068889189 /nfs/dbraw/zinc/88/91/89/1068889189.db2.gz IDDSARNQMTYZIM-UHFFFAOYSA-N -1 1 475.523 4.188 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2c(F)cccc2O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1F ZINC001200560278 1068892050 /nfs/dbraw/zinc/89/20/50/1068892050.db2.gz VKNSPNJKGWVKHN-CQSZACIVSA-N -1 1 484.521 4.162 20 0 JIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCc2nc3ccccc3o2)c1 ZINC001472574303 1069119639 /nfs/dbraw/zinc/11/96/39/1069119639.db2.gz RGLDTODAGBVDIP-UHFFFAOYSA-N -1 1 453.495 4.049 20 0 JIADMM COc1cccc(-n2c3nnc(SCc4cc(=O)oc5cc([O-])ccc45)n3c3ccccc3c2=O)c1 ZINC000003335862 194287997 /nfs/dbraw/zinc/28/79/97/194287997.db2.gz PJZKJQZFLZAPIG-UHFFFAOYSA-N -1 1 498.520 4.146 20 0 JIADMM O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001164388945 718819254 /nfs/dbraw/zinc/81/92/54/718819254.db2.gz RSFGITSCAQEATO-CABCVRRESA-N -1 1 494.951 4.102 20 0 JIADMM O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2C[C@H]3C[C@H]3[C@@H](F)C2)c1 ZINC001164430319 718964211 /nfs/dbraw/zinc/96/42/11/718964211.db2.gz GAXHUOQIMXFYFG-WQVCFCJDSA-N -1 1 482.915 4.423 20 0 JIADMM COC(C)(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)n1 ZINC001332018807 1066367937 /nfs/dbraw/zinc/36/79/37/1066367937.db2.gz KDOKPQMJDPVRKG-UHFFFAOYSA-N -1 1 452.330 4.181 20 0 JIADMM O=S(=O)([N-][C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(Br)cnc1Cl ZINC001337581916 1066496391 /nfs/dbraw/zinc/49/63/91/1066496391.db2.gz JNBFXDQPXHQPSQ-MRXNPFEDSA-N -1 1 481.803 4.098 20 0 JIADMM O=C(c1ccc([O-])cc1)C1CCN(c2nnc(Cc3cccnc3)n2CCSC(F)(F)F)CC1 ZINC001316553999 1066569117 /nfs/dbraw/zinc/56/91/17/1066569117.db2.gz MMWMZVOEFFIXTN-UHFFFAOYSA-N -1 1 491.539 4.322 20 0 JIADMM CC(=O)N[C@@H](CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccs1 ZINC001343365976 1066611568 /nfs/dbraw/zinc/61/15/68/1066611568.db2.gz ABXCWHPESIDHRC-INIZCTEOSA-N -1 1 453.545 4.436 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3nccn3Cc3ccccc3)cc2)cc1 ZINC001347051654 1066669855 /nfs/dbraw/zinc/66/98/55/1066669855.db2.gz LPWZQUCLKHSOGA-UHFFFAOYSA-N -1 1 461.543 4.398 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(C(F)(F)F)cn3)ccc2C)c1 ZINC001348063800 1066717903 /nfs/dbraw/zinc/71/79/03/1066717903.db2.gz JNHKBPVMSYNYCY-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)OCC(=O)c1ccc([O-])cc1O ZINC001317846825 1066729461 /nfs/dbraw/zinc/72/94/61/1066729461.db2.gz BTUWLQHDWQKYLH-UHFFFAOYSA-N -1 1 466.877 4.106 20 0 JIADMM CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c(C)c1 ZINC001317919028 1066786477 /nfs/dbraw/zinc/78/64/77/1066786477.db2.gz FOQBADVTQZUZIF-UHFFFAOYSA-N -1 1 491.491 4.427 20 0 JIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)c1 ZINC001317939878 1066798674 /nfs/dbraw/zinc/79/86/74/1066798674.db2.gz DWXFXRCWEPAORR-UHFFFAOYSA-N -1 1 499.677 4.424 20 0 JIADMM O=C(COC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccc([O-])cc1O ZINC001317945554 1066803137 /nfs/dbraw/zinc/80/31/37/1066803137.db2.gz CHGJHQQCKNBGSM-OAQYLSRUSA-N -1 1 457.276 4.407 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COc3ccccc3F)c2)c1 ZINC001317955757 1066810122 /nfs/dbraw/zinc/81/01/22/1066810122.db2.gz CDHVWOGZBOQCBQ-GOSISDBHSA-N -1 1 456.539 4.441 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)COc3ccccc3F)cc2)cc1C ZINC001317957596 1066811058 /nfs/dbraw/zinc/81/10/58/1066811058.db2.gz QLHSDMZDDKYIDU-GOSISDBHSA-N -1 1 456.539 4.441 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2F)c1 ZINC001317969129 1066821186 /nfs/dbraw/zinc/82/11/86/1066821186.db2.gz ZRYOTLGKQVHTOI-GOSISDBHSA-N -1 1 456.539 4.441 20 0 JIADMM O=C(Nc1ccccc1CN1CCCC1=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001318010345 1066850099 /nfs/dbraw/zinc/85/00/99/1066850099.db2.gz XRNNGXHQOARYNK-UHFFFAOYSA-N -1 1 467.522 4.001 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)CC2)c1 ZINC001318041442 1066866820 /nfs/dbraw/zinc/86/68/20/1066866820.db2.gz YUBUHUKECQFCNC-UHFFFAOYSA-N -1 1 479.602 4.203 20 0 JIADMM COc1ccc(C[C@@H](C)N(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC001318103863 1066901291 /nfs/dbraw/zinc/90/12/91/1066901291.db2.gz DINBLPIIDIPORC-GOSISDBHSA-N -1 1 470.566 4.267 20 0 JIADMM O=C(Nc1cnn(Cc2cccnc2)c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001318117241 1066908584 /nfs/dbraw/zinc/90/85/84/1066908584.db2.gz ZDYONMNZUQBEET-UHFFFAOYSA-N -1 1 467.938 4.033 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(N(C)C)cc3)cc2)cc1C ZINC001318125079 1066912741 /nfs/dbraw/zinc/91/27/41/1066912741.db2.gz YINBWGDBROPPBR-UHFFFAOYSA-N -1 1 451.592 4.143 20 0 JIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318167478 1066935011 /nfs/dbraw/zinc/93/50/11/1066935011.db2.gz HIXSRIOSONHIPA-DEOSSOPVSA-N -1 1 475.570 4.076 20 0 JIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001318185137 1066945122 /nfs/dbraw/zinc/94/51/22/1066945122.db2.gz WJXOXLZTQVIOEK-UHFFFAOYSA-N -1 1 477.521 4.337 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)cc1 ZINC001350859212 1067011139 /nfs/dbraw/zinc/01/11/39/1067011139.db2.gz KLJNBHPDWUBVQF-UHFFFAOYSA-N -1 1 463.481 4.182 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2)cc1C ZINC001350860113 1067011357 /nfs/dbraw/zinc/01/13/57/1067011357.db2.gz SLZGXOXTUNTWBF-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCc3nc(C)cs3)cc2)cc1 ZINC001318351039 1067028383 /nfs/dbraw/zinc/02/83/83/1067028383.db2.gz FZVAVHBBIQHWHV-UHFFFAOYSA-N -1 1 459.593 4.014 20 0 JIADMM CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2OC)cc1 ZINC001319160329 1067068542 /nfs/dbraw/zinc/06/85/42/1067068542.db2.gz GOLBKGRAJLEWOJ-NHCUHLMSSA-N -1 1 486.590 4.444 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)cc2)c1 ZINC001319888298 1067079929 /nfs/dbraw/zinc/07/99/29/1067079929.db2.gz KYFOZGUDHYRONA-UHFFFAOYSA-N -1 1 483.521 4.452 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN2CCCC2=O)cc1 ZINC001320256598 1067088316 /nfs/dbraw/zinc/08/83/16/1067088316.db2.gz HHSPVUZSGLSJBC-UHFFFAOYSA-N -1 1 463.559 4.171 20 0 JIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001322245522 1067266266 /nfs/dbraw/zinc/26/62/66/1067266266.db2.gz AEMMQWRPLMVPJY-CYFREDJKSA-N -1 1 468.557 4.433 20 0 JIADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001322415787 1067289543 /nfs/dbraw/zinc/28/95/43/1067289543.db2.gz ZCXLERBKTKZLRK-QXAHNEEPSA-N -1 1 494.038 4.337 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3NC(=O)CC34CCCCCC4)cc2)c1C ZINC001300024823 1067394967 /nfs/dbraw/zinc/39/49/67/1067394967.db2.gz QQIZARZPPCBYRY-UHFFFAOYSA-N -1 1 455.580 4.074 20 0 JIADMM Cn1ccnc1[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccc(Cl)cc1 ZINC001352453001 1067403594 /nfs/dbraw/zinc/40/35/94/1067403594.db2.gz GQBNEGXYXJVDHH-CQSZACIVSA-N -1 1 455.690 4.229 20 0 JIADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001300038322 1067451161 /nfs/dbraw/zinc/45/11/61/1067451161.db2.gz DCFUVJRKMVKREL-LPHOPBHVSA-N -1 1 456.468 4.211 20 0 JIADMM CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001300092441 1067651340 /nfs/dbraw/zinc/65/13/40/1067651340.db2.gz NJORFBUIBSCUFB-VQTJNVASSA-N -1 1 450.988 4.215 20 0 JIADMM COC(=O)c1c([N-]C(=O)c2ocnc2C(F)F)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001352780120 1067715853 /nfs/dbraw/zinc/71/58/53/1067715853.db2.gz UDTKLOJFKPBXBW-UHFFFAOYSA-N -1 1 457.455 4.006 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)[C@@](C)(O)c3ccccc3)cc2)c1C ZINC001300226701 1067898138 /nfs/dbraw/zinc/89/81/38/1067898138.db2.gz HDKGIPDPIZIOHJ-KBMIEXCESA-N -1 1 452.576 4.130 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCOc4c(C)cc(C)cc43)c2)cc1 ZINC001300239991 1067946290 /nfs/dbraw/zinc/94/62/90/1067946290.db2.gz IAYUKPZIIGMVDQ-UHFFFAOYSA-N -1 1 452.532 4.152 20 0 JIADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001300315761 1068209689 /nfs/dbraw/zinc/20/96/89/1068209689.db2.gz FURYLFCCSRNPGX-RTBURBONSA-N -1 1 456.486 4.194 20 0 JIADMM O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000517091949 1068283078 /nfs/dbraw/zinc/28/30/78/1068283078.db2.gz NMUBNXCTTZLDRP-UHFFFAOYSA-N -1 1 461.341 4.103 20 0 JIADMM O=S(=O)([N-]c1ccccc1CNc1ccc2nnc(-c3ccccc3F)n2n1)c1ccccc1 ZINC000522617596 1068340364 /nfs/dbraw/zinc/34/03/64/1068340364.db2.gz KPNJHADSDSOJAN-UHFFFAOYSA-N -1 1 474.521 4.343 20 0 JIADMM 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CCc1cc2c(COC(=O)COc3ccc(F)cc3Br)cc(=O)oc2cc1[O-] ZINC000849167270 1068920014 /nfs/dbraw/zinc/92/00/14/1068920014.db2.gz VFXRNMDEIHIFAP-UHFFFAOYSA-N -1 1 451.244 4.085 20 0 JIADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n[n-]1 ZINC001300601826 1069189960 /nfs/dbraw/zinc/18/99/60/1069189960.db2.gz JDRWEFPBTIMLLA-SNVBAGLBSA-N -1 1 454.430 4.100 20 0 JIADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)[n-]1 ZINC001300601826 1069189979 /nfs/dbraw/zinc/18/99/79/1069189979.db2.gz JDRWEFPBTIMLLA-SNVBAGLBSA-N -1 1 454.430 4.100 20 0 JIADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1 ZINC001300601826 1069189988 /nfs/dbraw/zinc/18/99/88/1069189988.db2.gz JDRWEFPBTIMLLA-SNVBAGLBSA-N -1 1 454.430 4.100 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3c(C4CCC4)cnn3C)cc2)cc1C ZINC001300609920 1069213430 /nfs/dbraw/zinc/21/34/30/1069213430.db2.gz CAECQIRDIMWYMC-UHFFFAOYSA-N -1 1 452.580 4.035 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cccs3)ccc2N2CCOCC2)cc1 ZINC000008686915 562953062 /nfs/dbraw/zinc/95/30/62/562953062.db2.gz ZXJBJNJTEUILRC-PKNBQFBNSA-N -1 1 499.614 4.046 20 0 aggregator JIADMM O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CC[C@H]3COC[C@@H]3C2)c1 ZINC001164388947 718819298 /nfs/dbraw/zinc/81/92/98/718819298.db2.gz RSFGITSCAQEATO-GJZGRUSLSA-N -1 1 494.951 4.102 20 0 JIADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCCCOc1ccc(F)cc1 ZINC001359697363 1070357495 /nfs/dbraw/zinc/35/74/95/1070357495.db2.gz QEXSBBGPQFLWEL-UHFFFAOYSA-N -1 1 485.526 4.295 20 0 JIADMM COc1ccc2c(c1)C(CCn1c(C(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)=CC2 ZINC001315544145 1064545705 /nfs/dbraw/zinc/54/57/05/1064545705.db2.gz KZRYKNHOERMPPE-UHFFFAOYSA-N -1 1 491.558 4.335 20 0 JIADMM COCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001315769164 1065088394 /nfs/dbraw/zinc/08/83/94/1065088394.db2.gz DQAWVOSAIJFECU-UHFFFAOYSA-N -1 1 468.623 4.408 20 0 JIADMM CSC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001316369798 1066116314 /nfs/dbraw/zinc/11/63/14/1066116314.db2.gz IKVIWUTVNOKSPK-FQEVSTJZSA-N -1 1 458.628 4.466 20 0 JIADMM CS[C@H](Cn1c(CC(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)C ZINC001316392459 1066167032 /nfs/dbraw/zinc/16/70/32/1066167032.db2.gz DAUZXKNNQHDKKS-MRXNPFEDSA-N -1 1 463.614 4.149 20 0 JIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC001324888437 1066232760 /nfs/dbraw/zinc/23/27/60/1066232760.db2.gz JIHUZHRAMXHMDL-FQEVSTJZSA-N -1 1 497.661 4.224 20 0 JIADMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001329639491 1066342002 /nfs/dbraw/zinc/34/20/02/1066342002.db2.gz FMCMUOOQDNFTAS-HXUWFJFHSA-N -1 1 499.539 4.332 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC(F)(F)C2)CC1)C(F)(F)F ZINC001316565301 1066584833 /nfs/dbraw/zinc/58/48/33/1066584833.db2.gz NWHPTIDJQKCSNU-OAHLLOKOSA-N -1 1 489.464 4.415 20 0 JIADMM O=C(/C=C/c1nccs1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001347415815 1066680701 /nfs/dbraw/zinc/68/07/01/1066680701.db2.gz AMOGLEXSZKGUFU-CMDGGOBGSA-N -1 1 464.366 4.358 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC001347511601 1066683566 /nfs/dbraw/zinc/68/35/66/1066683566.db2.gz UIYPABQERQXOCA-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)COc3ccccc3F)c2)cc1 ZINC001317957565 1066811026 /nfs/dbraw/zinc/81/10/26/1066811026.db2.gz QACKEZLQWWACBY-KRWDZBQOSA-N -1 1 472.538 4.223 20 0 JIADMM O=C1OCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2Br)c1 ZINC001317966656 1066818602 /nfs/dbraw/zinc/81/86/02/1066818602.db2.gz KEZCDMOKLGCVMZ-UHFFFAOYSA-N -1 1 494.136 4.108 20 0 JIADMM Cc1ccc(C(=O)N[C@H](C)COc2ccccc2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001318035564 1066863559 /nfs/dbraw/zinc/86/35/59/1066863559.db2.gz PAYZXPXXLJPBKA-MRXNPFEDSA-N -1 1 460.502 4.271 20 0 JIADMM 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COC[C@@H](F)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001315811922 1065160501 /nfs/dbraw/zinc/16/05/01/1065160501.db2.gz GKAADXNQBUYIKY-IBGZPJMESA-N -1 1 499.553 4.122 20 0 JIADMM Cc1nnc(SCc2c3ccccc3oc2C(=O)OCC(=O)c2ccc([O-])cc2O)s1 ZINC001324500096 1066220513 /nfs/dbraw/zinc/22/05/13/1066220513.db2.gz JMZYKAOUIQSVBH-UHFFFAOYSA-N -1 1 456.501 4.336 20 0 JIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(OCC2CC2)nc1 ZINC001325888816 1066273860 /nfs/dbraw/zinc/27/38/60/1066273860.db2.gz GFKBJHPNLQOQNM-UHFFFAOYSA-N -1 1 495.557 4.085 20 0 JIADMM O=S(=O)([N-]CCc1cccc(Br)c1)c1cc(Br)sc1Cl ZINC001475372922 1066360812 /nfs/dbraw/zinc/36/08/12/1066360812.db2.gz URELKHDEBCVXLO-UHFFFAOYSA-N -1 1 459.612 4.448 20 0 JIADMM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1(O)CCCC1 ZINC001335674139 1066419788 /nfs/dbraw/zinc/41/97/88/1066419788.db2.gz RYVRBGFTBJHDCD-UHFFFAOYSA-N -1 1 478.014 4.375 20 0 JIADMM O=C(COc1ccc(Cl)cc1Br)N1CCC(C(=O)c2ccc([O-])cc2)CC1 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ZINC001317702813 1066636922 /nfs/dbraw/zinc/63/69/22/1066636922.db2.gz WTTMZZCYIRKHDG-UYAOXDASSA-N -1 1 470.591 4.301 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(-n4cncn4)cc3)c2)cc1 ZINC001317915460 1066784425 /nfs/dbraw/zinc/78/44/25/1066784425.db2.gz LQWWBYVAINWUHP-UHFFFAOYSA-N -1 1 497.964 4.373 20 0 JIADMM O=S(=O)([N-][C@@H]1CCCc2c1cnn2Cc1ccccc1)c1sccc1Br ZINC001317921026 1066787439 /nfs/dbraw/zinc/78/74/39/1066787439.db2.gz MKIRMQACMHPPGP-MRXNPFEDSA-N -1 1 452.399 4.111 20 0 JIADMM CCOC(=O)C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCCC1 ZINC001317959441 1066812855 /nfs/dbraw/zinc/81/28/55/1066812855.db2.gz UNLWTWBSIAIPKW-UHFFFAOYSA-N -1 1 484.496 4.112 20 0 JIADMM C[C@H](COc1ccccc1F)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001317959537 1066812927 /nfs/dbraw/zinc/81/29/27/1066812927.db2.gz VZZKZFAMVNMWNP-CQSZACIVSA-N -1 1 464.465 4.102 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)[N-]c2ccccc2N=C1C ZINC001349391742 1066836937 /nfs/dbraw/zinc/83/69/37/1066836937.db2.gz JRTZILXDEFMJRA-UHFFFAOYSA-N -1 1 453.930 4.058 20 0 JIADMM C[C@H]1CCCN(C(=O)CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001349869536 1066889645 /nfs/dbraw/zinc/88/96/45/1066889645.db2.gz LZMKPTBZTBENDT-HNNXBMFYSA-N -1 1 498.432 4.173 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)ccc2C)cc1 ZINC001318121674 1066910490 /nfs/dbraw/zinc/91/04/90/1066910490.db2.gz HKUGMOYSELPOPT-DEOSSOPVSA-N -1 1 491.613 4.139 20 0 JIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318358036 1067031212 /nfs/dbraw/zinc/03/12/12/1067031212.db2.gz UURHFJOHGXRARG-DEOSSOPVSA-N -1 1 475.570 4.076 20 0 JIADMM COC(=O)[C@](C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC001318416770 1067039278 /nfs/dbraw/zinc/03/92/78/1067039278.db2.gz BSILUTSXLYLWDE-HSZRJFAPSA-N -1 1 490.940 4.098 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccnc(OC)c3)ccc2N2CCCCC2)cc1 ZINC001321816487 1067214385 /nfs/dbraw/zinc/21/43/85/1067214385.db2.gz IMTDACIVEJDMRM-UHFFFAOYSA-N -1 1 496.589 4.142 20 0 JIADMM O=C(NCc1cc(Cl)ccc1I)c1ccc2ccc(O)cc2c1[O-] ZINC001300739857 1067216101 /nfs/dbraw/zinc/21/61/01/1067216101.db2.gz VWGDOUDLNHIWMF-UHFFFAOYSA-N -1 1 453.663 4.439 20 0 JIADMM O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000500256011 1067239962 /nfs/dbraw/zinc/23/99/62/1067239962.db2.gz LSFAIMXLQJVSLH-UHFFFAOYSA-N -1 1 485.928 4.172 20 0 JIADMM CCOC(=O)c1cc(I)c([N-]S(=O)(=O)c2cccc(C)c2F)cc1Cl ZINC001200814971 1067272810 /nfs/dbraw/zinc/27/28/10/1067272810.db2.gz DLVLBEZRRXLASV-UHFFFAOYSA-N -1 1 497.713 4.370 20 0 JIADMM COc1cccc2cc(CNC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)oc21 ZINC001322422665 1067289515 /nfs/dbraw/zinc/28/95/15/1067289515.db2.gz GXNKTLNTXQTRRI-UHFFFAOYSA-N -1 1 454.479 4.311 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)[N-]c2ccccc2N=C1C ZINC001352134196 1067296611 /nfs/dbraw/zinc/29/66/11/1067296611.db2.gz XJWSHHAZCFBXOR-UHFFFAOYSA-N -1 1 455.898 4.224 20 0 JIADMM Cn1ccnc1[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccc(Cl)cc1 ZINC001352453000 1067403159 /nfs/dbraw/zinc/40/31/59/1067403159.db2.gz GQBNEGXYXJVDHH-AWEZNQCLSA-N -1 1 455.690 4.229 20 0 JIADMM CC(C)N(C)C(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001300029341 1067413709 /nfs/dbraw/zinc/41/37/09/1067413709.db2.gz QQBQHYZUQCUKTG-UHFFFAOYSA-N -1 1 451.548 4.220 20 0 JIADMM COc1ccc(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001300109186 1067707097 /nfs/dbraw/zinc/70/70/97/1067707097.db2.gz YFYHHSLBESBDGV-KRWDZBQOSA-N -1 1 493.574 4.013 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)[C@](C)(O)c3ccccc3)cc2)c1C ZINC001300226699 1067897996 /nfs/dbraw/zinc/89/79/96/1067897996.db2.gz HDKGIPDPIZIOHJ-DFBJGRDBSA-N -1 1 452.576 4.130 20 0 JIADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n[nH]1 ZINC000490273257 1067898446 /nfs/dbraw/zinc/89/84/46/1067898446.db2.gz LOYITKOJNIEOJT-SJKOYZFVSA-N -1 1 475.368 4.349 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2)cc1 ZINC000491333204 1068045440 /nfs/dbraw/zinc/04/54/40/1068045440.db2.gz OTCAUBCVCKJBMJ-UHFFFAOYSA-N -1 1 481.559 4.052 20 0 JIADMM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(F)c(S(C)(=O)=O)cc1F ZINC001200311573 1068046503 /nfs/dbraw/zinc/04/65/03/1068046503.db2.gz WAAJMJMXECHWQR-UHFFFAOYSA-N -1 1 461.552 4.255 20 0 JIADMM C[C@H](COCC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001300329966 1068268903 /nfs/dbraw/zinc/26/89/03/1068268903.db2.gz UXUOYQDCUICIMJ-CQSZACIVSA-N -1 1 456.486 4.051 20 0 JIADMM COc1ccc([C@@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001300407397 1068578572 /nfs/dbraw/zinc/57/85/72/1068578572.db2.gz HOSKEPWNUOHFGG-FNHZYXHNSA-N -1 1 458.496 4.414 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(I)c2)ccc1F ZINC001200558374 1068887162 /nfs/dbraw/zinc/88/71/62/1068887162.db2.gz AGJHUPDAGYUBKS-UHFFFAOYSA-N -1 1 491.200 4.138 20 0 JIADMM COc1ccccc1[C@@H](C)N(OC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001300518052 1068904231 /nfs/dbraw/zinc/90/42/31/1068904231.db2.gz PLPJBIVUPPQGGL-MRXNPFEDSA-N -1 1 458.511 4.400 20 0 JIADMM O=c1cc(CSc2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)c2ccc([O-])cc2o1 ZINC000009670370 527481581 /nfs/dbraw/zinc/48/15/81/527481581.db2.gz XRMRHRZGNCZHCD-UHFFFAOYSA-N -1 1 482.521 4.197 20 0 JIADMM CC(C)(C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001359502364 1069765972 /nfs/dbraw/zinc/76/59/72/1069765972.db2.gz KJOBQTOYCWIAEK-RUZDIDTESA-N -1 1 468.623 4.350 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCCOC[C@H]1CCCO1 ZINC001359527754 1069817776 /nfs/dbraw/zinc/81/77/76/1069817776.db2.gz XBOOSYMTFMSMSW-HSZRJFAPSA-N -1 1 484.641 4.257 20 0 JIADMM CC(C)(Cn1c(CC2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccn1 ZINC001359597148 1070050714 /nfs/dbraw/zinc/05/07/14/1070050714.db2.gz GCMBOJXQFYYFIO-UHFFFAOYSA-N -1 1 492.590 4.279 20 0 JIADMM CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(F)c1 ZINC001359598141 1070054509 /nfs/dbraw/zinc/05/45/09/1070054509.db2.gz PPJXMKJECZEBBO-LJQANCHMSA-N -1 1 497.537 4.141 20 0 JIADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCc1ccc(F)cc1Cl ZINC001359697071 1070356976 /nfs/dbraw/zinc/35/69/76/1070356976.db2.gz HDAYQSOPDKTTGK-UHFFFAOYSA-N -1 1 475.918 4.332 20 0 JIADMM COCc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001315859223 1065266527 /nfs/dbraw/zinc/26/65/27/1065266527.db2.gz XCBJSZRICJIHHN-UHFFFAOYSA-N -1 1 479.547 4.025 20 0 JIADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN(Cc3ccccc3)c3ccc(C)cc3)nc(=O)c12 ZINC001325981654 1066277132 /nfs/dbraw/zinc/27/71/32/1066277132.db2.gz IMRQAAWPCNXCOM-UHFFFAOYSA-N -1 1 491.569 4.002 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001337767233 1066509042 /nfs/dbraw/zinc/50/90/42/1066509042.db2.gz ZGYDZCGELADBMP-UHFFFAOYSA-N -1 1 487.484 4.283 20 0 JIADMM CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001337806326 1066513413 /nfs/dbraw/zinc/51/34/13/1066513413.db2.gz WOCFKIWIYTZWMR-UHFFFAOYSA-N -1 1 455.536 4.207 20 0 JIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC001339248295 1066573771 /nfs/dbraw/zinc/57/37/71/1066573771.db2.gz QHDDCZIZCFDTFV-UHFFFAOYSA-N -1 1 470.194 4.183 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCSC2)CC1)C(F)(F)F ZINC001316563925 1066582805 /nfs/dbraw/zinc/58/28/05/1066582805.db2.gz DIZAQORFTGCKQA-HXUWFJFHSA-N -1 1 495.615 4.101 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nccs2)CC1)C(F)(F)F ZINC001316565282 1066584938 /nfs/dbraw/zinc/58/49/38/1066584938.db2.gz NLZNTMKRFSYOSH-UHFFFAOYSA-N -1 1 498.962 4.193 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccoc2)CC1)C(F)(F)F ZINC001316566154 1066586969 /nfs/dbraw/zinc/58/69/69/1066586969.db2.gz WKKFUMSDVMRIRM-UHFFFAOYSA-N -1 1 485.869 4.274 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3nccn3Cc3ccccc3)c2)c1 ZINC001343271061 1066605353 /nfs/dbraw/zinc/60/53/53/1066605353.db2.gz AOOMNMXMZIPXSJ-UHFFFAOYSA-N -1 1 461.543 4.398 20 0 JIADMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Br)s1 ZINC001317697196 1066634666 /nfs/dbraw/zinc/63/46/66/1066634666.db2.gz XQYMPQRROKYJQV-UHFFFAOYSA-N -1 1 480.361 4.351 20 0 JIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC001317704100 1066638258 /nfs/dbraw/zinc/63/82/58/1066638258.db2.gz JMBOFVNJYKYBKG-UHFFFAOYSA-N -1 1 477.652 4.344 20 0 JIADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001317729338 1066650728 /nfs/dbraw/zinc/65/07/28/1066650728.db2.gz VHLRUMWWZOHLGY-VCOUNFBDSA-N -1 1 482.650 4.151 20 0 JIADMM COc1ccc(C)cc1N1C[C@@H](C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1=O ZINC001348138630 1066722828 /nfs/dbraw/zinc/72/28/28/1066722828.db2.gz AYHAXDMORJOLQI-KRWDZBQOSA-N -1 1 489.553 4.477 20 0 JIADMM Cc1ccc(NC(=O)c2cncnc2C)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC001317904875 1066774902 /nfs/dbraw/zinc/77/49/02/1066774902.db2.gz FOTUBVIPHQMGTN-UHFFFAOYSA-N -1 1 464.519 4.461 20 0 JIADMM C[C@H](OC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)c1ccc(F)c(F)c1 ZINC001317937353 1066796654 /nfs/dbraw/zinc/79/66/54/1066796654.db2.gz RZTLDESXMLPYRE-XOBRGWDASA-N -1 1 487.528 4.305 20 0 JIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)COc3ccccc3F)cc2)cc1 ZINC001317957009 1066810501 /nfs/dbraw/zinc/81/05/01/1066810501.db2.gz FSVIGPYUFYDARJ-INIZCTEOSA-N -1 1 470.522 4.026 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC=CC3)ccc2N2CCCCC2)cc1 ZINC001349303326 1066828770 /nfs/dbraw/zinc/82/87/70/1066828770.db2.gz WSMTYPBAQQQFDF-UHFFFAOYSA-N -1 1 455.580 4.391 20 0 JIADMM O=C(COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc([O-])cc1O ZINC001317977420 1066828792 /nfs/dbraw/zinc/82/87/92/1066828792.db2.gz SNORMOWHTVKSMB-UHFFFAOYSA-N -1 1 470.275 4.152 20 0 JIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2)ccc1F ZINC001318007164 1066848522 /nfs/dbraw/zinc/84/85/22/1066848522.db2.gz CETAWRRVJFUIFP-UHFFFAOYSA-N -1 1 481.549 4.310 20 0 JIADMM Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001318035563 1066863511 /nfs/dbraw/zinc/86/35/11/1066863511.db2.gz PAYZXPXXLJPBKA-INIZCTEOSA-N -1 1 460.502 4.271 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3coc(-c4ccccc4)n3)cc2)cc1 ZINC001318111972 1066905300 /nfs/dbraw/zinc/90/53/00/1066905300.db2.gz RTJKQLVKDQRPIM-UHFFFAOYSA-N -1 1 461.543 4.423 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)c1 ZINC001318129937 1066914102 /nfs/dbraw/zinc/91/41/02/1066914102.db2.gz FHEPNBTZSGCENT-XMMPIXPASA-N -1 1 491.613 4.139 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc(N(C)C)cc2)c1 ZINC001318154760 1066927689 /nfs/dbraw/zinc/92/76/89/1066927689.db2.gz QEYUUONQCLZRLI-UHFFFAOYSA-N -1 1 451.592 4.143 20 0 JIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318165391 1066933666 /nfs/dbraw/zinc/93/36/66/1066933666.db2.gz HBOQILFJTYJGPI-DEOSSOPVSA-N -1 1 493.560 4.215 20 0 JIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001318213627 1066962486 /nfs/dbraw/zinc/96/24/86/1066962486.db2.gz GZOQKDVKPLODRL-UHFFFAOYSA-N -1 1 487.585 4.218 20 0 JIADMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1Cl ZINC001318244697 1066981519 /nfs/dbraw/zinc/98/15/19/1066981519.db2.gz LWIBYFRGPZCKGF-UHFFFAOYSA-N -1 1 463.911 4.074 20 0 JIADMM CC(C)c1n[nH]c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC001318285308 1067002247 /nfs/dbraw/zinc/00/22/47/1067002247.db2.gz FDQGKKAZYPORSB-UHFFFAOYSA-N -1 1 453.446 4.000 20 0 JIADMM CCOC(=O)C1=C(NC(=O)Cc2cccc(C)c2Br)[N-]c2ccccc2N=C1C ZINC001350860160 1067011341 /nfs/dbraw/zinc/01/13/41/1067011341.db2.gz QFEQROZJJJVTAK-UHFFFAOYSA-N -1 1 456.340 4.409 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cnn3CC3CC3)cc2)cc1 ZINC001318480771 1067048346 /nfs/dbraw/zinc/04/83/46/1067048346.db2.gz CXBXMPCVLANMCY-UHFFFAOYSA-N -1 1 454.552 4.053 20 0 JIADMM Cc1cc([C@@H](C)NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)c(C)o1 ZINC001320276401 1067089125 /nfs/dbraw/zinc/08/91/25/1067089125.db2.gz YUNRXZWYHXVWAF-IIBYNOLFSA-N -1 1 482.606 4.200 20 0 JIADMM O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC001321370702 1067108359 /nfs/dbraw/zinc/10/83/59/1067108359.db2.gz SZDLKIHHWXHJEW-VWLOTQADSA-N -1 1 491.551 4.200 20 0 JIADMM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c2)n1 ZINC001321764079 1067207572 /nfs/dbraw/zinc/20/75/72/1067207572.db2.gz DGICVYRRBYUGFK-UHFFFAOYSA-N -1 1 490.541 4.102 20 0 JIADMM CNC(=O)Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001321841295 1067217727 /nfs/dbraw/zinc/21/77/27/1067217727.db2.gz SOAPLFIIJPFTMQ-UHFFFAOYSA-N -1 1 491.491 4.047 20 0 JIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001322334667 1067278130 /nfs/dbraw/zinc/27/81/30/1067278130.db2.gz WJLGYTJNDPCDOA-XMMPIXPASA-N -1 1 493.560 4.215 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)[N-]c2ccccc2N=C1C ZINC001352132581 1067296321 /nfs/dbraw/zinc/29/63/21/1067296321.db2.gz PYAXULWYVWRUGR-UHFFFAOYSA-N -1 1 457.412 4.076 20 0 JIADMM Cc1n[nH]c(C)c1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl ZINC001352337077 1067334153 /nfs/dbraw/zinc/33/41/53/1067334153.db2.gz TWQZOFQEAOEOCG-UHFFFAOYSA-N -1 1 467.378 4.373 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C(C)C)C3(CO)CC=CC3)c2)c1 ZINC001300072368 1067594946 /nfs/dbraw/zinc/59/49/46/1067594946.db2.gz FWHCWKOXQXDZFQ-QHCPKHFHSA-N -1 1 456.608 4.187 20 0 JIADMM CC[C@H](c1nnc([N-]C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)s1)c1ccccc1 ZINC001355989660 1067625728 /nfs/dbraw/zinc/62/57/28/1067625728.db2.gz FNHROJFKTGJKSH-AWEZNQCLSA-N -1 1 459.457 4.327 20 0 JIADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cc2n(n1)CCCC2 ZINC001300100299 1067675022 /nfs/dbraw/zinc/67/50/22/1067675022.db2.gz ACHFHOSCCWOHHN-OAHLLOKOSA-N -1 1 458.971 4.165 20 0 JIADMM CCOC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001352906965 1067795487 /nfs/dbraw/zinc/79/54/87/1067795487.db2.gz HWPMETRXFSEPCA-UHFFFAOYSA-N -1 1 453.925 4.494 20 0 JIADMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000479290430 1067801565 /nfs/dbraw/zinc/80/15/65/1067801565.db2.gz WWPHOCSTFYDALF-UHFFFAOYSA-N -1 1 478.496 4.133 20 0 JIADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n[nH]1 ZINC000490273256 1067898341 /nfs/dbraw/zinc/89/83/41/1067898341.db2.gz LOYITKOJNIEOJT-SJCJKPOMSA-N -1 1 475.368 4.349 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000523356917 1068344696 /nfs/dbraw/zinc/34/46/96/1068344696.db2.gz LPHSUNPDYDDQET-UHFFFAOYSA-N -1 1 479.537 4.021 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(CC)[nH]n3)c2)cc1Br ZINC000620315842 1068355851 /nfs/dbraw/zinc/35/58/51/1068355851.db2.gz ANJDFFIDYDCTGU-UHFFFAOYSA-N -1 1 493.383 4.186 20 0 JIADMM COc1ccccc1-c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n[nH]1 ZINC000621530593 1068357928 /nfs/dbraw/zinc/35/79/28/1068357928.db2.gz XRJUQOMXURVLSG-UHFFFAOYSA-N -1 1 462.531 4.447 20 0 JIADMM O=C(Nc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)c1)OCC(F)(F)F ZINC001300461381 1068796886 /nfs/dbraw/zinc/79/68/86/1068796886.db2.gz DWSFEVKBABBNNZ-KRWDZBQOSA-N -1 1 454.401 4.090 20 0 JIADMM O=C(Nc1ccn(CCc2ccncc2)n1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000503784347 1068844964 /nfs/dbraw/zinc/84/49/64/1068844964.db2.gz FMCARYKUMQCTID-UHFFFAOYSA-N -1 1 481.965 4.227 20 0 JIADMM O=C(NCc1nnc2n1CCCCC2)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000849366023 1069021950 /nfs/dbraw/zinc/02/19/50/1069021950.db2.gz KGWFSHXITWITHR-UHFFFAOYSA-N -1 1 494.404 4.042 20 0 JIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000504156659 1069082219 /nfs/dbraw/zinc/08/22/19/1069082219.db2.gz POTGMTJINGGAMX-UHFFFAOYSA-N -1 1 497.577 4.391 20 0 JIADMM O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CC3(C2)CCCOC3)c1 ZINC001164414069 718882929 /nfs/dbraw/zinc/88/29/29/718882929.db2.gz PVFQRLMMYOZULK-UHFFFAOYSA-N -1 1 494.951 4.246 20 0 JIADMM COc1ccc(C[C@H](C)N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1 ZINC001325025971 1066236310 /nfs/dbraw/zinc/23/63/10/1066236310.db2.gz IQPANGJZGPYXSE-SFHVURJKSA-N -1 1 480.586 4.402 20 0 JIADMM COc1ccc([O-])c(S(=O)(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c1 ZINC001475543933 1066433734 /nfs/dbraw/zinc/43/37/34/1066433734.db2.gz AGZXOLYOGUZKIR-UHFFFAOYSA-N -1 1 454.426 4.085 20 0 JIADMM CCCNC(=O)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 ZINC001336244896 1066434758 /nfs/dbraw/zinc/43/47/58/1066434758.db2.gz RGEGVFKWYHDUCB-SFHVURJKSA-N -1 1 473.639 4.046 20 0 JIADMM O=C([N-]CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCC2(F)F)CC1)C(F)(F)F ZINC001316564747 1066584336 /nfs/dbraw/zinc/58/43/36/1066584336.db2.gz ILKSERXFFPYBIX-SJORKVTESA-N -1 1 493.521 4.240 20 0 JIADMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001317729330 1066650818 /nfs/dbraw/zinc/65/08/18/1066650818.db2.gz VHLRUMWWZOHLGY-CBQOVEMMSA-N -1 1 482.650 4.151 20 0 JIADMM COC(=O)C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)c1ccc(C)cc1 ZINC001317829724 1066714668 /nfs/dbraw/zinc/71/46/68/1066714668.db2.gz NCEGXNPJELKQJV-QFIPXVFZSA-N -1 1 484.549 4.278 20 0 JIADMM CN1C(=O)C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc21 ZINC001317923610 1066789030 /nfs/dbraw/zinc/78/90/30/1066789030.db2.gz AOWYXRBXTBFLLT-FQEVSTJZSA-N -1 1 469.950 4.230 20 0 JIADMM O=C(NCCOc1ccc2c(c1)CCC2)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001317927544 1066790978 /nfs/dbraw/zinc/79/09/78/1066790978.db2.gz RTXXNKJBNAEONH-UHFFFAOYSA-N -1 1 472.513 4.063 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(N4CCOC4=O)ccc3F)c2)c1 ZINC001317959390 1066812915 /nfs/dbraw/zinc/81/29/15/1066812915.db2.gz TUKPJJZKYOVLHM-UHFFFAOYSA-N -1 1 483.521 4.452 20 0 JIADMM Cc1cc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)c(C)o1 ZINC001318019351 1066855542 /nfs/dbraw/zinc/85/55/42/1066855542.db2.gz IGDFQHVQZLEKLA-MRXNPFEDSA-N -1 1 470.547 4.350 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CN3CCCC3=O)c2)c1 ZINC001318048520 1066870572 /nfs/dbraw/zinc/87/05/72/1066870572.db2.gz RYCPJLNHMTTYID-UHFFFAOYSA-N -1 1 463.559 4.171 20 0 JIADMM COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC001318103490 1066900701 /nfs/dbraw/zinc/90/07/01/1066900701.db2.gz ACPJKIGSSCZWIU-GOSISDBHSA-N -1 1 468.575 4.208 20 0 JIADMM O=S(=O)([N-]CCCCOc1ccccc1)c1c(Br)cc(F)cc1Br ZINC001318131510 1066915033 /nfs/dbraw/zinc/91/50/33/1066915033.db2.gz UFRMXETYHIJZBL-UHFFFAOYSA-N -1 1 481.181 4.488 20 0 JIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318216524 1066965125 /nfs/dbraw/zinc/96/51/25/1066965125.db2.gz JEWPNLSFMFAWGN-XMMPIXPASA-N -1 1 475.570 4.076 20 0 JIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318216522 1066965276 /nfs/dbraw/zinc/96/52/76/1066965276.db2.gz JEWPNLSFMFAWGN-DEOSSOPVSA-N -1 1 475.570 4.076 20 0 JIADMM CC(C)(C)N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001319518059 1067074628 /nfs/dbraw/zinc/07/46/28/1067074628.db2.gz IWVRXFIMMZXGGD-UHFFFAOYSA-N -1 1 469.529 4.063 20 0 JIADMM CCOc1ccc2c(c1)CN(C(=O)c1ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc1)CC2 ZINC001320747921 1067092211 /nfs/dbraw/zinc/09/22/11/1067092211.db2.gz CTQCYRWFQXMKDR-UHFFFAOYSA-N -1 1 454.523 4.224 20 0 JIADMM O=C(NCCc1coc(-c2ccccc2)n1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001321163969 1067099952 /nfs/dbraw/zinc/09/99/52/1067099952.db2.gz YRZIUYIUPWJKHW-UHFFFAOYSA-N -1 1 465.506 4.254 20 0 JIADMM COC(=O)N1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)CC1 ZINC001322272962 1067269052 /nfs/dbraw/zinc/26/90/52/1067269052.db2.gz BGDUVWABOCBHSA-UHFFFAOYSA-N -1 1 493.585 4.069 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)COc3ccccc3F)cc2)cc1 ZINC001324072006 1067332855 /nfs/dbraw/zinc/33/28/55/1067332855.db2.gz SGEGBBNJIRZRGT-KRWDZBQOSA-N -1 1 472.538 4.223 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2)cc1 ZINC000500956437 1067380759 /nfs/dbraw/zinc/38/07/59/1067380759.db2.gz UUXXMJYXDHMIJL-UHFFFAOYSA-N -1 1 498.561 4.330 20 0 JIADMM COC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)c(C)c(=O)[n-]1)CCC2 ZINC001473015307 1067701081 /nfs/dbraw/zinc/70/10/81/1067701081.db2.gz VXPUNRHWQAIQAC-UHFFFAOYSA-N -1 1 455.561 4.225 20 0 JIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCc3cc(Br)ccc32)o1 ZINC001357855170 1067922323 /nfs/dbraw/zinc/92/23/23/1067922323.db2.gz AVOVBNKZOCDIDW-UHFFFAOYSA-N -1 1 455.374 4.102 20 0 JIADMM 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0 JIADMM CC(C)(c1nnc([N-]C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)s1)c1ccccc1 ZINC001354132720 1068919384 /nfs/dbraw/zinc/91/93/84/1068919384.db2.gz MWQBUTXZWCFDSR-UHFFFAOYSA-N -1 1 459.457 4.111 20 0 JIADMM O=C(CCc1ccc2[nH]ccc2c1)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001300584809 1069129334 /nfs/dbraw/zinc/12/93/34/1069129334.db2.gz KSYMGSVFRPJYFR-FPOVZHCZSA-N -1 1 461.459 4.303 20 0 JIADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)n[n-]1 ZINC001300607594 1069205354 /nfs/dbraw/zinc/20/53/54/1069205354.db2.gz JJFLDLQUJDIWLG-UIAHNSDOSA-N -1 1 451.354 4.364 20 0 JIADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)[n-]1 ZINC001300607594 1069205369 /nfs/dbraw/zinc/20/53/69/1069205369.db2.gz JJFLDLQUJDIWLG-UIAHNSDOSA-N -1 1 451.354 4.364 20 0 JIADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)n1 ZINC001300607594 1069205385 /nfs/dbraw/zinc/20/53/85/1069205385.db2.gz JJFLDLQUJDIWLG-UIAHNSDOSA-N -1 1 451.354 4.364 20 0 JIADMM COc1ccccc1-c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1CC(C)(C)C1 ZINC001315599718 1064705955 /nfs/dbraw/zinc/70/59/55/1064705955.db2.gz VSPFXWJASDZQLX-UHFFFAOYSA-N -1 1 479.547 4.285 20 0 JIADMM COCC1(Cn2c(C3CCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCCC1 ZINC001315846762 1065238071 /nfs/dbraw/zinc/23/80/71/1065238071.db2.gz IRCMDSBTKWRTLA-UHFFFAOYSA-N -1 1 471.568 4.037 20 0 JIADMM O=C(NCCc1coc(-c2ccccc2)n1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001325270472 1066243584 /nfs/dbraw/zinc/24/35/84/1066243584.db2.gz WCSCJQGNMRWORO-UHFFFAOYSA-N -1 1 465.506 4.254 20 0 JIADMM COc1ccc(C[C@H](C)N(C)C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001325757616 1066267631 /nfs/dbraw/zinc/26/76/31/1066267631.db2.gz IJSFMRXDGRVZCG-IBGZPJMESA-N -1 1 467.591 4.269 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4ccc(C)cc4S3)cc2)cc1OC ZINC001337671831 1066502277 /nfs/dbraw/zinc/50/22/77/1066502277.db2.gz ACFJOAXWVHFSER-HSZRJFAPSA-N -1 1 484.599 4.469 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)COc3ccccc3F)c2)cc1F ZINC001337757516 1066508483 /nfs/dbraw/zinc/50/84/83/1066508483.db2.gz MLIXDSWAMPRKRH-INIZCTEOSA-N -1 1 460.502 4.271 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC([C@H]4c5ccccc5NC4=O)CC3)c2)c1 ZINC001338312360 1066546748 /nfs/dbraw/zinc/54/67/48/1066546748.db2.gz UQPORSLOVNIMEL-VWLOTQADSA-N -1 1 489.597 4.384 20 0 JIADMM Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)c3ccc([O-])cc3O)[C@@H]2c2cccs2)cc1 ZINC001317715880 1066644264 /nfs/dbraw/zinc/64/42/64/1066644264.db2.gz RWFFCCXTYOXKSU-YADARESESA-N -1 1 465.527 4.378 20 0 JIADMM O=C(CCCNC(=O)c1ccsc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC001345703355 1066646059 /nfs/dbraw/zinc/64/60/59/1066646059.db2.gz OAALHXSBJKGIIL-UHFFFAOYSA-N -1 1 453.545 4.379 20 0 JIADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2c(C)n(C3CC3)c3ccc(OC)cc32)c1 ZINC001317890146 1066759429 /nfs/dbraw/zinc/75/94/29/1066759429.db2.gz SYYBGDZJCWPKFS-UHFFFAOYSA-N -1 1 471.579 4.282 20 0 JIADMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)ccn1 ZINC001317897746 1066767944 /nfs/dbraw/zinc/76/79/44/1066767944.db2.gz XFYRJLDHPVEFMB-UHFFFAOYSA-N -1 1 451.426 4.162 20 0 JIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3cnn(C)c3)c2)cc1 ZINC001317898217 1066768623 /nfs/dbraw/zinc/76/86/23/1066768623.db2.gz XMJTYPSNNCUMMU-UHFFFAOYSA-N -1 1 475.014 4.189 20 0 JIADMM O=S(=O)([N-][C@H]1CCCc2c1cnn2Cc1ccccc1)c1sccc1Br ZINC001317921020 1066787342 /nfs/dbraw/zinc/78/73/42/1066787342.db2.gz MKIRMQACMHPPGP-INIZCTEOSA-N -1 1 452.399 4.111 20 0 JIADMM [O-]C(c1cccnc1)=C1[C@@H](c2ccc(-c3ccccc3)s2)NC(=S)N[C@]1(O)C(F)(F)F ZINC001317925179 1066789636 /nfs/dbraw/zinc/78/96/36/1066789636.db2.gz NCPHQASBDIDFAQ-SQGPQFPESA-N -1 1 463.506 4.079 20 0 JIADMM CC(C)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)CC1 ZINC001317992019 1066837270 /nfs/dbraw/zinc/83/72/70/1066837270.db2.gz XXHVIETUIVLBNI-UHFFFAOYSA-N -1 1 498.432 4.125 20 0 JIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)c([O-])c2)c1 ZINC001349638302 1066863994 /nfs/dbraw/zinc/86/39/94/1066863994.db2.gz ONAKAVUXVKYCAJ-UHFFFAOYSA-N -1 1 489.450 4.048 20 0 JIADMM CC(C)N(CCc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC001318036862 1066864020 /nfs/dbraw/zinc/86/40/20/1066864020.db2.gz HNHFTXINZZOAIC-UHFFFAOYSA-N -1 1 480.586 4.352 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)cc1C ZINC001318130589 1066914639 /nfs/dbraw/zinc/91/46/39/1066914639.db2.gz KMIRCPQFJIOPDY-XMMPIXPASA-N -1 1 491.613 4.139 20 0 JIADMM Cc1ccn(-c2cccc(C(=O)N(C)Cc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c2)n1 ZINC001318263492 1066990659 /nfs/dbraw/zinc/99/06/59/1066990659.db2.gz WCEHBHVQUQOCBU-UHFFFAOYSA-N -1 1 460.559 4.254 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001318284493 1067001913 /nfs/dbraw/zinc/00/19/13/1067001913.db2.gz GKAAUKDUXTXHJO-QFIPXVFZSA-N -1 1 491.613 4.139 20 0 JIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001319115441 1067067744 /nfs/dbraw/zinc/06/77/44/1067067744.db2.gz NHVPXGQKJAZZAB-UHFFFAOYSA-N -1 1 472.314 4.215 20 0 JIADMM COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)ccc2OC)cc1 ZINC001319187458 1067068660 /nfs/dbraw/zinc/06/86/60/1067068660.db2.gz AIHYUDNCHXJDMA-UHFFFAOYSA-N -1 1 494.491 4.464 20 0 JIADMM CCOC(=O)C1(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CCCC1 ZINC001319889122 1067080259 /nfs/dbraw/zinc/08/02/59/1067080259.db2.gz RTNASBXQRFFVNS-UHFFFAOYSA-N -1 1 484.496 4.112 20 0 JIADMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(Cn3nnc(-c4ccc(F)cc4)n3)nc(=O)c12 ZINC001322594822 1067305314 /nfs/dbraw/zinc/30/53/14/1067305314.db2.gz JZSFYEHMRKIHMD-UHFFFAOYSA-N -1 1 489.536 4.003 20 0 JIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1)N1CCCC[C@@H]1CO ZINC001322613124 1067306591 /nfs/dbraw/zinc/30/65/91/1067306591.db2.gz AEGKQNIDQBLMDS-HSZRJFAPSA-N -1 1 480.586 4.053 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3NC(=O)CC34CCCCCC4)c2)c1 ZINC001300025256 1067395232 /nfs/dbraw/zinc/39/52/32/1067395232.db2.gz WGVHCQGWGGUECA-UHFFFAOYSA-N -1 1 455.580 4.074 20 0 JIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000491346055 1068047267 /nfs/dbraw/zinc/04/72/67/1068047267.db2.gz KUSZPMRQBZOWCT-UHFFFAOYSA-N -1 1 469.523 4.101 20 0 JIADMM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000492376866 1068128369 /nfs/dbraw/zinc/12/83/69/1068128369.db2.gz PBNZVDGHAYJAPT-UHFFFAOYSA-N -1 1 498.362 4.287 20 0 JIADMM O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000614411081 1068311832 /nfs/dbraw/zinc/31/18/32/1068311832.db2.gz YIGMOPJAJYQXNC-UHFFFAOYSA-N -1 1 467.938 4.033 20 0 JIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc2)ccc1F ZINC000615838660 1068323758 /nfs/dbraw/zinc/32/37/58/1068323758.db2.gz QJESWQJCVVNNIK-UHFFFAOYSA-N -1 1 464.522 4.432 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000523672317 1068346362 /nfs/dbraw/zinc/34/63/62/1068346362.db2.gz ZNEOCEPFEUOARK-UHFFFAOYSA-N -1 1 475.574 4.191 20 0 JIADMM COc1ccccc1-c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n[nH]1 ZINC000621530555 1068357459 /nfs/dbraw/zinc/35/74/59/1068357459.db2.gz UXUPPUQTNQYCHO-UHFFFAOYSA-N -1 1 466.494 4.278 20 0 JIADMM COC[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccc(OC)c1 ZINC001300435831 1068695576 /nfs/dbraw/zinc/69/55/76/1068695576.db2.gz RVUUGCXFGFKTEI-NRFANRHFSA-N -1 1 456.445 4.049 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(c4ccco4)CC3)c2)cc1 ZINC001300466069 1068804812 /nfs/dbraw/zinc/80/48/12/1068804812.db2.gz JSPSUCFWBQTEBT-UHFFFAOYSA-N -1 1 454.548 4.499 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(c4ccco4)CC3)c2)cc1 ZINC001300467509 1068807197 /nfs/dbraw/zinc/80/71/97/1068807197.db2.gz PQAJSJCJTCQIGM-UHFFFAOYSA-N -1 1 454.548 4.499 20 0 JIADMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1ccc(Cl)s1 ZINC000849188234 1068933267 /nfs/dbraw/zinc/93/32/67/1068933267.db2.gz WMCJQCWYQHYIQG-UHFFFAOYSA-N -1 1 493.946 4.013 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2cccc(OCCCOC)c2C)[N-]c2ccccc2N=C1C ZINC001354468252 1069242315 /nfs/dbraw/zinc/24/23/15/1069242315.db2.gz PSGRZFVRFVRDKG-UHFFFAOYSA-N -1 1 451.523 4.133 20 0 JIADMM COc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1F ZINC001315492971 1064379448 /nfs/dbraw/zinc/37/94/48/1064379448.db2.gz KJNPKYHZAQHUEJ-UHFFFAOYSA-N -1 1 483.510 4.027 20 0 JIADMM COCCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001315976948 1065536390 /nfs/dbraw/zinc/53/63/90/1065536390.db2.gz KBZJTVGXYISLMY-UHFFFAOYSA-N -1 1 499.965 4.310 20 0 JIADMM Cc1cn(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c2ccccc12 ZINC001324888932 1066232683 /nfs/dbraw/zinc/23/26/83/1066232683.db2.gz QAJADEVCKKSHQY-UHFFFAOYSA-N -1 1 477.542 4.160 20 0 JIADMM 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O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)N1CCCC[C@H]1CO ZINC001322613153 1067306559 /nfs/dbraw/zinc/30/65/59/1067306559.db2.gz BVIBWOXAQYEDRG-NRFANRHFSA-N -1 1 450.560 4.141 20 0 JIADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001300781659 1067337497 /nfs/dbraw/zinc/33/74/97/1067337497.db2.gz CYWRDOHEYGTBLI-GOSISDBHSA-N -1 1 456.543 4.175 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2)cc1C ZINC001324477540 1067341952 /nfs/dbraw/zinc/34/19/52/1067341952.db2.gz BJPSWRATKAHUPI-UHFFFAOYSA-N -1 1 477.586 4.479 20 0 JIADMM COc1cccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)s2)c1 ZINC000500983264 1067395352 /nfs/dbraw/zinc/39/53/52/1067395352.db2.gz JIKYDFHTFWPBIT-UHFFFAOYSA-N -1 1 494.598 4.499 20 0 JIADMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cc2n(n1)CCCC2 ZINC001300100298 1067675171 /nfs/dbraw/zinc/67/51/71/1067675171.db2.gz ACHFHOSCCWOHHN-HNNXBMFYSA-N -1 1 458.971 4.165 20 0 JIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc1-c1ccccc1 ZINC001473015243 1067700251 /nfs/dbraw/zinc/70/02/51/1067700251.db2.gz SVKSSAPREYTGID-JKSUJKDBSA-N -1 1 451.548 4.287 20 0 JIADMM CC(C)COc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC001353097259 1067861824 /nfs/dbraw/zinc/86/18/24/1067861824.db2.gz ZOPVKLNCNSWVSA-UHFFFAOYSA-N -1 1 450.601 4.099 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](c3ccccc3F)[C@@H](C)O)c2)c1 ZINC001300252542 1068004747 /nfs/dbraw/zinc/00/47/47/1068004747.db2.gz MAFGVDGDUWYAGY-HXOBKFHXSA-N -1 1 456.539 4.095 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2)cc1C ZINC000491383044 1068049314 /nfs/dbraw/zinc/04/93/14/1068049314.db2.gz CKLZTOJMTLPLDP-UHFFFAOYSA-N -1 1 465.560 4.270 20 0 JIADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000520020021 1068319332 /nfs/dbraw/zinc/31/93/32/1068319332.db2.gz AKAIHQSRZFZVEJ-UHFFFAOYSA-N -1 1 468.485 4.263 20 0 JIADMM O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000503822394 1068856993 /nfs/dbraw/zinc/85/69/93/1068856993.db2.gz AHGIBNJMLSDUQZ-UHFFFAOYSA-N -1 1 499.955 4.366 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccccc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)ccc1F ZINC001200558856 1068888692 /nfs/dbraw/zinc/88/86/92/1068888692.db2.gz GZQVKPREVVBRNT-INIZCTEOSA-N -1 1 479.574 4.129 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2ccc(OCCOC)cc2Cl)[N-]c2ccccc2N=C1C ZINC001354468538 1069242421 /nfs/dbraw/zinc/24/24/21/1069242421.db2.gz UDKROBXFNCETAN-UHFFFAOYSA-N -1 1 457.914 4.088 20 0 JIADMM COc1ccccc1SCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1(C)CC1 ZINC001300675831 1069421697 /nfs/dbraw/zinc/42/16/97/1069421697.db2.gz KJJIEIAPNWDARC-UHFFFAOYSA-N -1 1 497.587 4.274 20 0 JIADMM COCc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1F ZINC001315852706 1065252051 /nfs/dbraw/zinc/25/20/51/1065252051.db2.gz AZVKDEQZEKSJKA-UHFFFAOYSA-N -1 1 499.553 4.095 20 0 JIADMM O=C(CSc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1)NC12CC3CC(CC(C3)C1)C2 ZINC001339247992 1066573984 /nfs/dbraw/zinc/57/39/84/1066573984.db2.gz OOCITUOGLKFJIS-UHFFFAOYSA-N -1 1 479.528 4.253 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(C3CCCC3)n2CCc2cccc(F)c2)CC1)C(F)(F)F ZINC001316564816 1066584406 /nfs/dbraw/zinc/58/44/06/1066584406.db2.gz KYFBZIOCVYQVJY-UHFFFAOYSA-N -1 1 467.511 4.212 20 0 JIADMM O=C(OCc1noc(-c2ccccc2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001341914158 1066591710 /nfs/dbraw/zinc/59/17/10/1066591710.db2.gz HCRZKCWVXBSLSO-UHFFFAOYSA-N -1 1 453.451 4.034 20 0 JIADMM O=C(NCCc1ccc(C(F)(F)F)cn1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001347511051 1066683600 /nfs/dbraw/zinc/68/36/00/1066683600.db2.gz PZPFGDXYKJAOHA-UHFFFAOYSA-N -1 1 467.444 4.013 20 0 JIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)c1C ZINC001317800931 1066696946 /nfs/dbraw/zinc/69/69/46/1066696946.db2.gz RZNPDUUHOXBUET-JOCHJYFZSA-N -1 1 458.624 4.389 20 0 JIADMM COc1ccc(C)cc1N1C[C@H](C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1=O ZINC001348138643 1066722999 /nfs/dbraw/zinc/72/29/99/1066722999.db2.gz AYHAXDMORJOLQI-QGZVFWFLSA-N -1 1 489.553 4.477 20 0 JIADMM COc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2cccc(OC)c2OC)CC[C@H](C)C3)on1 ZINC001349112332 1066810516 /nfs/dbraw/zinc/81/05/16/1066810516.db2.gz RYNGUOMBXNYPHW-LBPRGKRZSA-N -1 1 456.520 4.370 20 0 JIADMM O=C(Nc1ccccc1CN1CCCC1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001318023211 1066857562 /nfs/dbraw/zinc/85/75/62/1066857562.db2.gz SKVNPFQQXGIVJX-UHFFFAOYSA-N -1 1 485.512 4.140 20 0 JIADMM C[C@@H]1CCCN(C(=O)CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001349869537 1066889765 /nfs/dbraw/zinc/88/97/65/1066889765.db2.gz LZMKPTBZTBENDT-OAHLLOKOSA-N -1 1 498.432 4.173 20 0 JIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCC(Nc2ccccc2)CC1 ZINC001318197541 1066953212 /nfs/dbraw/zinc/95/32/12/1066953212.db2.gz PGTYCAGFZFLZLM-UHFFFAOYSA-N -1 1 464.591 4.274 20 0 JIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001318215395 1066964250 /nfs/dbraw/zinc/96/42/50/1066964250.db2.gz GESUBSZKHHWCOI-UHFFFAOYSA-N -1 1 492.601 4.178 20 0 JIADMM CC(C)(NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)C1CCCCC1 ZINC001318218423 1066966518 /nfs/dbraw/zinc/96/65/18/1066966518.db2.gz GPGXLJQLLCXXOI-HXUWFJFHSA-N -1 1 470.639 4.198 20 0 JIADMM Cc1csc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC001318351087 1067028640 /nfs/dbraw/zinc/02/86/40/1067028640.db2.gz HIYBBLYXKCVQQK-UHFFFAOYSA-N -1 1 494.436 4.377 20 0 JIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001321414746 1067118320 /nfs/dbraw/zinc/11/83/20/1067118320.db2.gz PWAPPHVPVLJRCB-UHFFFAOYSA-N -1 1 495.511 4.476 20 0 JIADMM C[C@@H]1CCc2nc(NC(=O)NCc3ccccc3[N-]S(=O)(=O)c3ccccc3)sc2C1 ZINC001321426348 1067125084 /nfs/dbraw/zinc/12/50/84/1067125084.db2.gz GISNGSYLACJDBC-OAHLLOKOSA-N -1 1 456.593 4.390 20 0 JIADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c(Br)cc1F ZINC001321538745 1067159692 /nfs/dbraw/zinc/15/96/92/1067159692.db2.gz GDKMRJGQKLPBQM-UHFFFAOYSA-N -1 1 471.279 4.105 20 0 JIADMM Cc1cccc(N2N=C(C(=O)Nc3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)CCC2=O)c1 ZINC001321834641 1067216772 /nfs/dbraw/zinc/21/67/72/1067216772.db2.gz QHTAYTRRTLDBHZ-UHFFFAOYSA-N -1 1 480.521 4.056 20 0 JIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001322245525 1067266310 /nfs/dbraw/zinc/26/63/10/1067266310.db2.gz AEMMQWRPLMVPJY-DVECYGJZSA-N -1 1 468.557 4.433 20 0 JIADMM Cc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc5c(c4)OCO5)c3)n[nH]2)s1 ZINC000500858153 1067328948 /nfs/dbraw/zinc/32/89/48/1067328948.db2.gz IXZSRYGFIMCJQJ-UHFFFAOYSA-N -1 1 482.543 4.228 20 0 JIADMM Cc1c(=O)[n-]c(SCc2nnnn2-c2ccccc2Br)nc1-c1ccccc1 ZINC001473015294 1067701106 /nfs/dbraw/zinc/70/11/06/1067701106.db2.gz VAQFDPJUXRVOTI-UHFFFAOYSA-N -1 1 455.341 4.188 20 0 JIADMM CC[C@]1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2)CCC(=O)NC1=O ZINC001200132062 1067716669 /nfs/dbraw/zinc/71/66/69/1067716669.db2.gz AEKAHWNYGOBVIK-HSZRJFAPSA-N -1 1 456.951 4.378 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)[C@](C)(O)c3ccccc3)cc2)c1C ZINC001300226697 1067897964 /nfs/dbraw/zinc/89/79/64/1067897964.db2.gz HDKGIPDPIZIOHJ-CLOONOSVSA-N -1 1 452.576 4.130 20 0 JIADMM O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000491371867 1068048516 /nfs/dbraw/zinc/04/85/16/1068048516.db2.gz CMHOIKHKHWUERP-UHFFFAOYSA-N -1 1 471.951 4.307 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2)cc1 ZINC000491374452 1068049050 /nfs/dbraw/zinc/04/90/50/1068049050.db2.gz MVOPESBDSDYYCM-UHFFFAOYSA-N -1 1 481.559 4.052 20 0 JIADMM C[C@@H]1CCCN(C(=O)CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001353486233 1068198983 /nfs/dbraw/zinc/19/89/83/1068198983.db2.gz PALJUACFAGFJSC-OAHLLOKOSA-N -1 1 498.432 4.173 20 0 JIADMM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000512296176 1068219461 /nfs/dbraw/zinc/21/94/61/1068219461.db2.gz UFCBAVHBDFROSN-UHFFFAOYSA-N -1 1 453.911 4.178 20 0 JIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000524594159 1068354387 /nfs/dbraw/zinc/35/43/87/1068354387.db2.gz DXPAXIZLJRDANV-UHFFFAOYSA-N -1 1 475.734 4.039 20 0 JIADMM COc1ccccc1-c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n[nH]1 ZINC000621654719 1068359409 /nfs/dbraw/zinc/35/94/09/1068359409.db2.gz VVCMTGSLKJIUJE-UHFFFAOYSA-N -1 1 462.531 4.447 20 0 JIADMM COC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccc(OC)c1 ZINC001300435832 1068695478 /nfs/dbraw/zinc/69/54/78/1068695478.db2.gz RVUUGCXFGFKTEI-OAQYLSRUSA-N -1 1 456.445 4.049 20 0 JIADMM O=C1CCCN(C(F)(F)c2cccc(S(=O)(=O)[N-]c3nc4ccccc4nc3Cl)c2)CC1 ZINC001164650322 719286328 /nfs/dbraw/zinc/28/63/28/719286328.db2.gz YXQZNKKXXMQBJK-UHFFFAOYSA-N -1 1 480.924 4.188 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1ccc2ncccc2c1 ZINC001359530237 1069820898 /nfs/dbraw/zinc/82/08/98/1069820898.db2.gz WECBZWYLCDWGCF-UHFFFAOYSA-N -1 1 488.558 4.358 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CCc2ccccc21 ZINC001359530214 1069821056 /nfs/dbraw/zinc/82/10/56/1069821056.db2.gz VGSWPAWGHCWLLZ-LJQANCHMSA-N -1 1 477.575 4.492 20 0 JIADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCc2ccccc21 ZINC001359530213 1069821064 /nfs/dbraw/zinc/82/10/64/1069821064.db2.gz VGSWPAWGHCWLLZ-IBGZPJMESA-N -1 1 477.575 4.492 20 0 JIADMM C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(=O)NCc1ccco1 ZINC001325226333 1066240498 /nfs/dbraw/zinc/24/04/98/1066240498.db2.gz NJFKPFSLZKTCNF-CYBMUJFWSA-N -1 1 497.356 4.249 20 0 JIADMM C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(=O)NCc1ccco1 ZINC001325226334 1066240566 /nfs/dbraw/zinc/24/05/66/1066240566.db2.gz NJFKPFSLZKTCNF-ZDUSSCGKSA-N -1 1 497.356 4.249 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(CCC(N)=O)cc3)c2)cc1C ZINC001326076991 1066284628 /nfs/dbraw/zinc/28/46/28/1066284628.db2.gz JEFJTSUNTTZABW-UHFFFAOYSA-N -1 1 485.993 4.428 20 0 JIADMM Cc1cccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@H]2CCSC2(C)C)n1 ZINC001492511837 1066347910 /nfs/dbraw/zinc/34/79/10/1066347910.db2.gz LTPMCMFVVKIWNQ-QGZVFWFLSA-N -1 1 496.603 4.075 20 0 JIADMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc1NC(=O)c1ccc(Br)cc1 ZINC001337417046 1066480977 /nfs/dbraw/zinc/48/09/77/1066480977.db2.gz XWQZBBMPWFVTPO-UHFFFAOYSA-N -1 1 484.302 4.461 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)COc3ccccc3F)c2)cc1F ZINC001337757561 1066508446 /nfs/dbraw/zinc/50/84/46/1066508446.db2.gz MLIXDSWAMPRKRH-MRXNPFEDSA-N -1 1 460.502 4.271 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)cc1C ZINC001338210753 1066537545 /nfs/dbraw/zinc/53/75/45/1066537545.db2.gz FFYGJHLQYAKLEQ-DEOSSOPVSA-N -1 1 491.613 4.139 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)c1C ZINC001338213473 1066538804 /nfs/dbraw/zinc/53/88/04/1066538804.db2.gz ZPZTWKMRBPHOJV-QHCPKHFHSA-N -1 1 491.613 4.139 20 0 JIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001344389000 1066628039 /nfs/dbraw/zinc/62/80/39/1066628039.db2.gz SYBCNSJLNSJBPV-GOSISDBHSA-N -1 1 459.527 4.156 20 0 JIADMM O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001317702787 1066636860 /nfs/dbraw/zinc/63/68/60/1066636860.db2.gz ZEGKTNKMYBUMDW-UHFFFAOYSA-N -1 1 491.447 4.053 20 0 JIADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC001345702456 1066645805 /nfs/dbraw/zinc/64/58/05/1066645805.db2.gz FUIBJIWKUFPKPT-HXUWFJFHSA-N -1 1 459.527 4.081 20 0 JIADMM CCOC(=O)C1=C(NC(=O)Cc2cc(Br)ccc2C)[N-]c2ccccc2N=C1C ZINC001348172160 1066725410 /nfs/dbraw/zinc/72/54/10/1066725410.db2.gz BVIGBGRVIVYPQH-UHFFFAOYSA-N -1 1 456.340 4.409 20 0 JIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C(=O)CC(C)C)CC3)cc2)c(C)c1C ZINC001317887830 1066757347 /nfs/dbraw/zinc/75/73/47/1066757347.db2.gz GTFNKENGBRGUPI-UHFFFAOYSA-N -1 1 499.677 4.360 20 0 JIADMM CNC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC001317935588 1066795560 /nfs/dbraw/zinc/79/55/60/1066795560.db2.gz DACQWZBBYHBUON-UHFFFAOYSA-N -1 1 451.548 4.025 20 0 JIADMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1c(F)cc(C(F)(F)F)cc1F ZINC001349196629 1066819343 /nfs/dbraw/zinc/81/93/43/1066819343.db2.gz LWKTZQHLVLIIJV-UHFFFAOYSA-N -1 1 454.351 4.455 20 0 JIADMM Cc1ccc(CN2CCCN(C(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC001317984869 1066831781 /nfs/dbraw/zinc/83/17/81/1066831781.db2.gz XSGAYHLXVCTOGK-UHFFFAOYSA-N -1 1 499.583 4.422 20 0 JIADMM CCOC(=O)C1=C(NC(=O)COc2cccc(OCC(C)C)c2)[N-]c2ccccc2N=C1C ZINC001349392488 1066836993 /nfs/dbraw/zinc/83/69/93/1066836993.db2.gz RGDPAJRQWAZDSG-UHFFFAOYSA-N -1 1 451.523 4.209 20 0 JIADMM CCOC(=O)C1=C(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)F)[N-]c2ccccc2N=C1C ZINC001349402036 1066838081 /nfs/dbraw/zinc/83/80/81/1066838081.db2.gz QPJKNTUXOOUHDH-HXUWFJFHSA-N -1 1 453.445 4.205 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)COc1ccccc1F ZINC001318035788 1066863425 /nfs/dbraw/zinc/86/34/25/1066863425.db2.gz XJFHRCVSDPADMC-INIZCTEOSA-N -1 1 460.502 4.271 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)[N-]c2ccccc2N=C1C ZINC001349909681 1066894595 /nfs/dbraw/zinc/89/45/95/1066894595.db2.gz BLRRRIJCBDEEAQ-UHFFFAOYSA-N -1 1 454.914 4.246 20 0 JIADMM CCOC(=O)C1=C(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)[N-]c2ccccc2N=C1C ZINC001349909797 1066895011 /nfs/dbraw/zinc/89/50/11/1066895011.db2.gz FDFQHXRQOPQOMQ-INIZCTEOSA-N -1 1 452.942 4.275 20 0 JIADMM CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001318152154 1066926983 /nfs/dbraw/zinc/92/69/83/1066926983.db2.gz WVLWQFDTRYOSSX-UHFFFAOYSA-N -1 1 495.601 4.442 20 0 JIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318165392 1066933720 /nfs/dbraw/zinc/93/37/20/1066933720.db2.gz HBOQILFJTYJGPI-XMMPIXPASA-N -1 1 493.560 4.215 20 0 JIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1csc(-c2ccco2)n1 ZINC001318211231 1066960842 /nfs/dbraw/zinc/96/08/42/1066960842.db2.gz YRNYHSVFRCXITR-UHFFFAOYSA-N -1 1 453.545 4.476 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccc(N(C)C)cc3)c2)c1 ZINC001318286534 1067002792 /nfs/dbraw/zinc/00/27/92/1067002792.db2.gz RBWBRXSMJIDUEZ-UHFFFAOYSA-N -1 1 451.592 4.143 20 0 JIADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCC(Oc2ccccc2)CC1 ZINC001318345846 1067026131 /nfs/dbraw/zinc/02/61/31/1067026131.db2.gz LTKVKPIMMMIRHP-UHFFFAOYSA-N -1 1 465.575 4.240 20 0 JIADMM O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC001321370701 1067107978 /nfs/dbraw/zinc/10/79/78/1067107978.db2.gz SZDLKIHHWXHJEW-RUZDIDTESA-N -1 1 491.551 4.200 20 0 JIADMM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001321783794 1067211374 /nfs/dbraw/zinc/21/13/74/1067211374.db2.gz QCMOPRJVPKTDDU-UHFFFAOYSA-N -1 1 450.520 4.325 20 0 JIADMM CCOC(=O)c1ccc(Br)c(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1 ZINC001322451351 1067295708 /nfs/dbraw/zinc/29/57/08/1067295708.db2.gz CHFRYSAVENZFLZ-UHFFFAOYSA-N -1 1 467.316 4.356 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccs3)cc2)cc1OC ZINC001323882544 1067328277 /nfs/dbraw/zinc/32/82/77/1067328277.db2.gz KZNUNFPBHREFHH-UHFFFAOYSA-N -1 1 478.617 4.438 20 0 JIADMM O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000500949052 1067374448 /nfs/dbraw/zinc/37/44/48/1067374448.db2.gz UHGGPSNOYNWXPP-UHFFFAOYSA-N -1 1 468.535 4.321 20 0 JIADMM O=S(=O)([N-]c1ncc(F)cc1I)c1ccc(Cl)c2ccccc21 ZINC001200038650 1067397615 /nfs/dbraw/zinc/39/76/15/1067397615.db2.gz HACMJZRGWSOUIO-UHFFFAOYSA-N -1 1 462.671 4.433 20 0 JIADMM COc1ccc(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 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WAOIITYILQAKSH-UHFFFAOYSA-N -1 1 479.574 4.129 20 0 JIADMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)c1cc2ccccc2o1 ZINC000849187622 1068931631 /nfs/dbraw/zinc/93/16/31/1068931631.db2.gz CABKNWPYSUHISV-UHFFFAOYSA-N -1 1 493.493 4.045 20 0 JIADMM CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001359504856 1069774471 /nfs/dbraw/zinc/77/44/71/1069774471.db2.gz HSCAGVZABGFHOC-SFHVURJKSA-N -1 1 485.595 4.352 20 0 JIADMM CC(C)(C)OCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001359584780 1070014269 /nfs/dbraw/zinc/01/42/69/1070014269.db2.gz JITOLGMENCPYOV-OAQYLSRUSA-N -1 1 456.587 4.140 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NCc3ccco3)c2)cc1C ZINC001325261698 1066242841 /nfs/dbraw/zinc/24/28/41/1066242841.db2.gz PAYXYUJXHLQWCQ-INIZCTEOSA-N -1 1 490.965 4.212 20 0 JIADMM Cc1csc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)n1 ZINC001325685734 1066262677 /nfs/dbraw/zinc/26/26/77/1066262677.db2.gz MVXMGOOWKVJKLT-UHFFFAOYSA-N -1 1 494.436 4.377 20 0 JIADMM COc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001325757617 1066267834 /nfs/dbraw/zinc/26/78/34/1066267834.db2.gz IJSFMRXDGRVZCG-LJQANCHMSA-N -1 1 467.591 4.269 20 0 JIADMM Cc1cccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@@H]2CCSC2(C)C)n1 ZINC001492511836 1066347511 /nfs/dbraw/zinc/34/75/11/1066347511.db2.gz LTPMCMFVVKIWNQ-KRWDZBQOSA-N -1 1 496.603 4.075 20 0 JIADMM Cc1cccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CC2CCCCC2)n1 ZINC001492511991 1066348882 /nfs/dbraw/zinc/34/88/82/1066348882.db2.gz ROIVKZZNHNBEIV-UHFFFAOYSA-N -1 1 464.536 4.124 20 0 JIADMM Cc1cc([C@@H](C)NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)c(C)o1 ZINC001337903372 1066519571 /nfs/dbraw/zinc/51/95/71/1066519571.db2.gz YDQQMPNCKQTDEX-IERDGZPVSA-N -1 1 482.606 4.200 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCc2coc(-c3ccccc3)n2)cc1 ZINC001338157896 1066534816 /nfs/dbraw/zinc/53/48/16/1066534816.db2.gz MKYUTXGKCPZHMI-UHFFFAOYSA-N -1 1 461.543 4.423 20 0 JIADMM O=C(c1ccc([O-])cc1)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC(F)(F)F)CC1 ZINC001316553686 1066568404 /nfs/dbraw/zinc/56/84/04/1066568404.db2.gz HZKKNIVNYQASRA-UHFFFAOYSA-N -1 1 463.460 4.005 20 0 JIADMM O=C([N-]CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCC2(F)F)CC1)C(F)(F)F ZINC001316564745 1066584440 /nfs/dbraw/zinc/58/44/40/1066584440.db2.gz ILKSERXFFPYBIX-IAGOWNOFSA-N -1 1 493.521 4.240 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(CCc3ccccc3)n2Cc2cccs2)CC1)C(F)(F)F ZINC001316565703 1066585950 /nfs/dbraw/zinc/58/59/50/1066585950.db2.gz PZMFODZXGGHLQQ-UHFFFAOYSA-N -1 1 477.556 4.068 20 0 JIADMM Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)no1 ZINC001344785724 1066635780 /nfs/dbraw/zinc/63/57/80/1066635780.db2.gz HYJQDZUXDRYWRK-CYBMUJFWSA-N -1 1 484.559 4.164 20 0 JIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001317702810 1066636950 /nfs/dbraw/zinc/63/69/50/1066636950.db2.gz WTTMZZCYIRKHDG-ICSRJNTNSA-N -1 1 470.591 4.301 20 0 JIADMM Cc1ccc(CN2CCCN(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3[O-])CC2)cc1 ZINC001317740852 1066659167 /nfs/dbraw/zinc/65/91/67/1066659167.db2.gz AINGITCSOGEADH-UHFFFAOYSA-N -1 1 458.484 4.253 20 0 JIADMM Cc1nc(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)oc1C ZINC001347317796 1066679226 /nfs/dbraw/zinc/67/92/26/1066679226.db2.gz WVKHJPXXDFXFKU-UHFFFAOYSA-N -1 1 468.362 4.258 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)c2)cc1 ZINC001347509021 1066682503 /nfs/dbraw/zinc/68/25/03/1066682503.db2.gz FTTYKNXSAKTLTL-UHFFFAOYSA-N -1 1 463.481 4.182 20 0 JIADMM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC001348183731 1066726446 /nfs/dbraw/zinc/72/64/46/1066726446.db2.gz PBBRFEKVCZEBDS-UHFFFAOYSA-N -1 1 456.476 4.117 20 0 JIADMM CN(C)c1ncc(Br)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)n1 ZINC001348641983 1066766045 /nfs/dbraw/zinc/76/60/45/1066766045.db2.gz IZFNUXVUABTMQL-UHFFFAOYSA-N -1 1 455.268 4.128 20 0 JIADMM 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COc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(I)c2C)ccc1F ZINC001200551139 1068872245 /nfs/dbraw/zinc/87/22/45/1068872245.db2.gz KPAKFALDZKGUFA-UHFFFAOYSA-N -1 1 455.676 4.202 20 0 JIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2)c1C ZINC001300628228 1069267407 /nfs/dbraw/zinc/26/74/07/1069267407.db2.gz NFVSXEBCUDDDED-FGZHOGPDSA-N -1 1 458.624 4.435 20 0 JIADMM C[C@@H]1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2NC1=O ZINC000009903829 195017361 /nfs/dbraw/zinc/01/73/61/195017361.db2.gz HBXAXARMHPOFKO-AWEZNQCLSA-N -1 1 453.545 4.172 20 0 JIADMM CCn1c(SCC(=O)OCC(=O)c2ccc([O-])cc2O)nnc1-c1ccc(Cl)cc1Cl ZINC001337076461 1066457450 /nfs/dbraw/zinc/45/74/50/1066457450.db2.gz ODBGEFDGZURASU-UHFFFAOYSA-N -1 1 482.345 4.201 20 0 JIADMM O=C(Nc1ccccc1CN1CCCC1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001337897418 1066517888 /nfs/dbraw/zinc/51/78/88/1066517888.db2.gz NXMURATZIMNNMV-UHFFFAOYSA-N -1 1 467.522 4.001 20 0 JIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)o1 ZINC001339292354 1066575211 /nfs/dbraw/zinc/57/52/11/1066575211.db2.gz AQOGBCBAQTUQOO-KRWDZBQOSA-N -1 1 476.555 4.021 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCSC2)CC1)C(F)(F)F ZINC001316563924 1066582983 /nfs/dbraw/zinc/58/29/83/1066582983.db2.gz DIZAQORFTGCKQA-FQEVSTJZSA-N -1 1 495.615 4.101 20 0 JIADMM O=C([N-]CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCC2(F)F)CC1)C(F)(F)F ZINC001316564746 1066584544 /nfs/dbraw/zinc/58/45/44/1066584544.db2.gz ILKSERXFFPYBIX-IRXDYDNUSA-N -1 1 493.521 4.240 20 0 JIADMM O=C(O[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001341882396 1066590957 /nfs/dbraw/zinc/59/09/57/1066590957.db2.gz CQWGBXUXDJBFFD-CRAIPNDOSA-N -1 1 483.468 4.347 20 0 JIADMM CC(C)[C@H](C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1C(=O)c2ccccc2C1=O ZINC001343394371 1066613307 /nfs/dbraw/zinc/61/33/07/1066613307.db2.gz HBJWQWBOAFKHGQ-OAQYLSRUSA-N -1 1 487.537 4.428 20 0 JIADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)n1ccnc1 ZINC001344070317 1066624163 /nfs/dbraw/zinc/62/41/63/1066624163.db2.gz QFJHMDKMXLPBMC-CYBMUJFWSA-N -1 1 452.508 4.198 20 0 JIADMM CCN(Cc1ccccc1F)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC001317806512 1066699362 /nfs/dbraw/zinc/69/93/62/1066699362.db2.gz LQVXYSVKOJTZSI-UHFFFAOYSA-N -1 1 484.549 4.450 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)COc3ccccc3F)cc2)cc1C ZINC001317957599 1066810892 /nfs/dbraw/zinc/81/08/92/1066810892.db2.gz QLHSDMZDDKYIDU-SFHVURJKSA-N -1 1 456.539 4.441 20 0 JIADMM O=C(Nc1cc(N2CCOC2=O)ccc1F)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001317958235 1066811817 /nfs/dbraw/zinc/81/18/17/1066811817.db2.gz JLYWASOZSMFFAI-UHFFFAOYSA-N -1 1 489.912 4.489 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)[C@H](C)n3ccnc3)c2)cc1Br ZINC001318007359 1066848445 /nfs/dbraw/zinc/84/84/45/1066848445.db2.gz GQAKMEZXFCWEEH-AWEZNQCLSA-N -1 1 493.383 4.045 20 0 JIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1N1CCCC1=O ZINC001318013841 1066851664 /nfs/dbraw/zinc/85/16/64/1066851664.db2.gz WYWIQOJGGAIEJN-UHFFFAOYSA-N -1 1 471.485 4.145 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(F)cc4)c3)CC2)c1 ZINC001318039562 1066865634 /nfs/dbraw/zinc/86/56/34/1066865634.db2.gz FPYDDJNYBVFOKK-UHFFFAOYSA-N -1 1 497.592 4.342 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(-n4cnc5ccccc54)nc3)cc2)cc1 ZINC001318072417 1066884248 /nfs/dbraw/zinc/88/42/48/1066884248.db2.gz JMBKVXXLYKRSBE-UHFFFAOYSA-N -1 1 497.580 4.460 20 0 JIADMM COc1ccccc1Nc1nc2sc(C(=O)[N-]c3ncn(Cc4cccnc4)n3)cc2s1 ZINC001318086747 1066893332 /nfs/dbraw/zinc/89/33/32/1066893332.db2.gz MRODCKKZWACKEC-UHFFFAOYSA-N -1 1 463.548 4.397 20 0 JIADMM CN(C)c1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 ZINC001318122397 1066911342 /nfs/dbraw/zinc/91/13/42/1066911342.db2.gz KKEZWMNKXCSMQN-UHFFFAOYSA-N -1 1 475.973 4.318 20 0 JIADMM CN(C)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC001318142583 1066921868 /nfs/dbraw/zinc/92/18/68/1066921868.db2.gz BGEXTIIQHZGEFR-UHFFFAOYSA-N -1 1 457.983 4.179 20 0 JIADMM O=C1CCCN1Cc1ccccc1[N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC001318210716 1066960682 /nfs/dbraw/zinc/96/06/82/1066960682.db2.gz FPITUMRLQXSOHY-UHFFFAOYSA-N -1 1 474.476 4.027 20 0 JIADMM CC(C)(NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1)C1CCCCC1 ZINC001318218422 1066966671 /nfs/dbraw/zinc/96/66/71/1066966671.db2.gz GPGXLJQLLCXXOI-FQEVSTJZSA-N -1 1 470.639 4.198 20 0 JIADMM COc1cccc2cc(CNC(=O)Cc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)oc21 ZINC001318234040 1066975687 /nfs/dbraw/zinc/97/56/87/1066975687.db2.gz ZMSROWPQLAUEGG-UHFFFAOYSA-N -1 1 468.506 4.240 20 0 JIADMM CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2OC)cc1 ZINC001319160330 1067068491 /nfs/dbraw/zinc/06/84/91/1067068491.db2.gz GOLBKGRAJLEWOJ-RTWAWAEBSA-N -1 1 486.590 4.444 20 0 JIADMM O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000500259334 1067240276 /nfs/dbraw/zinc/24/02/76/1067240276.db2.gz SHTSSYKTUWFBNU-UHFFFAOYSA-N -1 1 467.938 4.033 20 0 JIADMM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)c2)n1 ZINC001323368188 1067319492 /nfs/dbraw/zinc/31/94/92/1067319492.db2.gz VVMWTWCHOUDPRX-UHFFFAOYSA-N -1 1 490.541 4.102 20 0 JIADMM Cc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000505601742 1067406586 /nfs/dbraw/zinc/40/65/86/1067406586.db2.gz HMTQPHJCXFMOQT-UHFFFAOYSA-N -1 1 479.537 4.021 20 0 JIADMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000479183999 1067801149 /nfs/dbraw/zinc/80/11/49/1067801149.db2.gz AYRLXZQRQJBRMY-UHFFFAOYSA-N -1 1 478.496 4.133 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)[C@@](C)(O)c3ccccc3)cc2)c1C ZINC001300226704 1067898272 /nfs/dbraw/zinc/89/82/72/1067898272.db2.gz HDKGIPDPIZIOHJ-UQBPGWFLSA-N -1 1 452.576 4.130 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3F)[C@@H](C)O)ccc2C)cc1 ZINC001300252536 1068004950 /nfs/dbraw/zinc/00/49/50/1068004950.db2.gz LVWOWIHLVNMEMG-UZUQRXQVSA-N -1 1 456.539 4.095 20 0 JIADMM CC1(c2ccccc2)CCC(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001545693441 1068035079 /nfs/dbraw/zinc/03/50/79/1068035079.db2.gz VIBQGEKROMIDKS-UHFFFAOYSA-N -1 1 455.407 4.288 20 0 JIADMM Cc1ccccc1-c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1(O)CCCCCC1 ZINC001492563750 1068044703 /nfs/dbraw/zinc/04/47/03/1068044703.db2.gz LNTFAYHFYNLGKI-UHFFFAOYSA-N -1 1 493.574 4.234 20 0 JIADMM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000492418628 1068129805 /nfs/dbraw/zinc/12/98/05/1068129805.db2.gz BAPLECBJRZWUKD-UHFFFAOYSA-N -1 1 453.911 4.178 20 0 JIADMM C[C@@H]1CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCc2ccccc21 ZINC001300302307 1068142588 /nfs/dbraw/zinc/14/25/88/1068142588.db2.gz XZSNDUDAYVRASP-GOSISDBHSA-N -1 1 452.551 4.357 20 0 JIADMM CCOC(=O)C(=C([O-])CSc1nnc(Nc2cccc(F)c2)s1)c1nc(C)cs1 ZINC000495443574 1068152706 /nfs/dbraw/zinc/15/27/06/1068152706.db2.gz DEBXRHJVOQWBLZ-CQSZACIVSA-N -1 1 452.558 4.194 20 0 JIADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000519131909 1068314790 /nfs/dbraw/zinc/31/47/90/1068314790.db2.gz QGTMVHAMAYUXTE-UHFFFAOYSA-N -1 1 468.485 4.263 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cc1F ZINC000520710173 1068327153 /nfs/dbraw/zinc/32/71/53/1068327153.db2.gz VNVUFOGHSHDPLM-UHFFFAOYSA-N -1 1 464.522 4.432 20 0 JIADMM O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000521389568 1068332482 /nfs/dbraw/zinc/33/24/82/1068332482.db2.gz GPOGYPBNZRYRSK-UHFFFAOYSA-N -1 1 450.495 4.124 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@@H](C(=O)OC(C)(C)C)C3)ccc2C)cc1 ZINC001300348294 1068352049 /nfs/dbraw/zinc/35/20/49/1068352049.db2.gz XIPNVFFQQRCPQS-CTNGQTDRSA-N -1 1 472.607 4.344 20 0 JIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001300543853 1068979443 /nfs/dbraw/zinc/97/94/43/1068979443.db2.gz XINNVWIZLFHVLB-DZGCQCFKSA-N -1 1 452.395 4.207 20 0 JIADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001354309198 1069095679 /nfs/dbraw/zinc/09/56/79/1069095679.db2.gz VFWJGLJBUFWPKJ-UHFFFAOYSA-N -1 1 457.405 4.002 20 0 JIADMM COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1F ZINC001315468187 1064302339 /nfs/dbraw/zinc/30/23/39/1064302339.db2.gz HKNATOIEWLOBCX-UHFFFAOYSA-N -1 1 499.553 4.152 20 0 JIADMM COc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001315634425 1064790011 /nfs/dbraw/zinc/79/00/11/1064790011.db2.gz JCTYZOMJLZGQRA-UHFFFAOYSA-N -1 1 481.563 4.013 20 0 JIADMM CSC1(Cn2c(CC3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCC1 ZINC001316410660 1066199327 /nfs/dbraw/zinc/19/93/27/1066199327.db2.gz ARGPQBWOKRLPBD-UHFFFAOYSA-N -1 1 473.609 4.191 20 0 JIADMM O=C(NCCc1coc(-c2ccccc2)n1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001325268845 1066242659 /nfs/dbraw/zinc/24/26/59/1066242659.db2.gz FWPGJEDAXBPZTO-UHFFFAOYSA-N -1 1 465.506 4.254 20 0 JIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001325641858 1066259941 /nfs/dbraw/zinc/25/99/41/1066259941.db2.gz SQTQTJKDJCMEKA-UHFFFAOYSA-N -1 1 459.531 4.198 20 0 JIADMM Cc1cnn(CC2CC2)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001326355681 1066293518 /nfs/dbraw/zinc/29/35/18/1066293518.db2.gz IIBDYVYFOSRCTD-UHFFFAOYSA-N -1 1 489.395 4.417 20 0 JIADMM CN(C(=O)CSc1ccccc1C(=O)OCC(=O)c1ccc([O-])cc1O)C1CCCCC1 ZINC001337075758 1066456627 /nfs/dbraw/zinc/45/66/27/1066456627.db2.gz CBRXTLLYAODRBS-UHFFFAOYSA-N -1 1 457.548 4.021 20 0 JIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001337131014 1066459355 /nfs/dbraw/zinc/45/93/55/1066459355.db2.gz OIEGQVGMAAUJQH-LJQANCHMSA-N -1 1 492.576 4.452 20 0 JIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001337505459 1066488075 /nfs/dbraw/zinc/48/80/75/1066488075.db2.gz DVGIGJIUUCIHIW-UHFFFAOYSA-N -1 1 483.903 4.071 20 0 JIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cc4cccc(OC)c4o3)cc2)cc1 ZINC001338460541 1066557164 /nfs/dbraw/zinc/55/71/64/1066557164.db2.gz LWZNNSBDYDNQSN-UHFFFAOYSA-N -1 1 466.515 4.181 20 0 JIADMM Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)c3ccc([O-])cc3O)[C@H]2c2cccs2)cc1 ZINC001317715876 1066644039 /nfs/dbraw/zinc/64/40/39/1066644039.db2.gz RWFFCCXTYOXKSU-CYFREDJKSA-N -1 1 465.527 4.378 20 0 JIADMM Nc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)ccc1F ZINC001346027264 1066651784 /nfs/dbraw/zinc/65/17/84/1066651784.db2.gz CPCZEXGBFASNLB-UHFFFAOYSA-N -1 1 453.417 4.480 20 0 JIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC001317748039 1066663756 /nfs/dbraw/zinc/66/37/56/1066663756.db2.gz JJCOZKKRCQWWAV-UHFFFAOYSA-N -1 1 456.568 4.169 20 0 JIADMM Cc1n[nH]c(C)c1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001347327554 1066678816 /nfs/dbraw/zinc/67/88/16/1066678816.db2.gz IWGSKEBYVNAMLZ-UHFFFAOYSA-N -1 1 453.351 4.064 20 0 JIADMM [O-]C(c1cccnc1)=C1[C@H](c2ccc(-c3ccccc3)s2)NC(=S)N[C@]1(O)C(F)(F)F ZINC001317925171 1066789317 /nfs/dbraw/zinc/78/93/17/1066789317.db2.gz NCPHQASBDIDFAQ-ABSDTBQOSA-N -1 1 463.506 4.079 20 0 JIADMM O=C(Cc1csc(-c2cc(Br)cs2)n1)OCC(=O)c1ccc([O-])cc1O ZINC001317958420 1066811824 /nfs/dbraw/zinc/81/18/24/1066811824.db2.gz BXJIILXEAOEJIX-UHFFFAOYSA-N -1 1 454.323 4.014 20 0 JIADMM Cc1cc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c(C)o1 ZINC001318016364 1066853816 /nfs/dbraw/zinc/85/38/16/1066853816.db2.gz IENVIDUSGFMJPZ-MRXNPFEDSA-N -1 1 470.547 4.350 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)CC2)c1 ZINC001318034837 1066862699 /nfs/dbraw/zinc/86/26/99/1066862699.db2.gz ZLGFIZFABZSNCA-UHFFFAOYSA-N -1 1 483.565 4.034 20 0 JIADMM CCN(CC)c1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC001350037809 1066908301 /nfs/dbraw/zinc/90/83/01/1066908301.db2.gz JKLQNXGSKUGVFI-MZNJEOGPSA-N -1 1 457.596 4.471 20 0 JIADMM Cc1ccc2c(c1)S[C@H](C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c3ccccc3)c1)C2 ZINC001318211508 1066960805 /nfs/dbraw/zinc/96/08/05/1066960805.db2.gz MWJNGEXOZZPKTB-QHCPKHFHSA-N -1 1 452.601 4.471 20 0 JIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCc3cc4cccc(OC)c4o3)c([O-])c2)c1 ZINC001318283133 1067000971 /nfs/dbraw/zinc/00/09/71/1067000971.db2.gz GWRQFALXWASMCV-UHFFFAOYSA-N -1 1 476.485 4.347 20 0 JIADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCCc3coc(-c4ccccc4)n3)c([O-])c2)c1 ZINC001318339170 1067023450 /nfs/dbraw/zinc/02/34/50/1067023450.db2.gz SVLLBFGLUDOXBF-UHFFFAOYSA-N -1 1 487.512 4.289 20 0 JIADMM Cc1cc([C@@H](C)NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)c(C)o1 ZINC001320276400 1067088728 /nfs/dbraw/zinc/08/87/28/1067088728.db2.gz YUNRXZWYHXVWAF-IERDGZPVSA-N -1 1 482.606 4.200 20 0 JIADMM CSc1nc(NC(=S)Nc2c(F)cc(Br)cc2Br)cc(=O)[n-]1 ZINC001200797900 1067170417 /nfs/dbraw/zinc/17/04/17/1067170417.db2.gz URECRBPNYPUSJK-UHFFFAOYSA-N -1 1 468.171 4.377 20 0 JIADMM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)n2)c1 ZINC001475041378 1067320564 /nfs/dbraw/zinc/32/05/64/1067320564.db2.gz UHWHIGOHYMILOI-JTQLQIEISA-N -1 1 459.858 4.040 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)ccc2C)c1 ZINC001324089464 1067333002 /nfs/dbraw/zinc/33/30/02/1067333002.db2.gz HSZVPZAHMCXHAI-UHFFFAOYSA-N -1 1 483.521 4.452 20 0 JIADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)ccc1Cl ZINC001300093418 1067653396 /nfs/dbraw/zinc/65/33/96/1067653396.db2.gz KCHMSDPAOTWCFW-UHFFFAOYSA-N -1 1 456.911 4.283 20 0 JIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nc1-c1ccccc1 ZINC001473015242 1067700067 /nfs/dbraw/zinc/70/00/67/1067700067.db2.gz SVKSSAPREYTGID-HZPDHXFCSA-N -1 1 451.548 4.287 20 0 JIADMM 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O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001300246610 1067976057 /nfs/dbraw/zinc/97/60/57/1067976057.db2.gz PZXLBNMFNZZIHY-KNQAVFIVSA-N -1 1 471.966 4.186 20 0 JIADMM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(COc3cccc(Br)c3)o2)s1 ZINC000603750683 1068140817 /nfs/dbraw/zinc/14/08/17/1068140817.db2.gz WTSSZYJMRZIKLE-UHFFFAOYSA-N -1 1 498.380 4.380 20 0 JIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCNc2nc3ccccc3s2)c1 ZINC000515192917 1068260332 /nfs/dbraw/zinc/26/03/32/1068260332.db2.gz UUJDMZVIBFFZAF-UHFFFAOYSA-N -1 1 484.578 4.387 20 0 JIADMM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000520550039 1068325276 /nfs/dbraw/zinc/32/52/76/1068325276.db2.gz MXGWABXUDXEFBX-UHFFFAOYSA-N -1 1 455.927 4.322 20 0 JIADMM COc1ccccc1Nc1nc2sc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)cc2s1 ZINC000622609668 1068366873 /nfs/dbraw/zinc/36/68/73/1068366873.db2.gz DXLQOBMFWNFPRH-KRWDZBQOSA-N -1 1 463.548 4.143 20 0 JIADMM 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Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(CCc4ccncc4)n3)c2)c1 ZINC000523671981 1068346433 /nfs/dbraw/zinc/34/64/33/1068346433.db2.gz PNXWWZFBQXRSGV-UHFFFAOYSA-N -1 1 475.574 4.191 20 0 JIADMM Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n[nH]c1C(F)(F)F ZINC000621644897 1068357963 /nfs/dbraw/zinc/35/79/63/1068357963.db2.gz NMRAJBRYNLTISF-UHFFFAOYSA-N -1 1 452.458 4.407 20 0 JIADMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001300393545 1068518685 /nfs/dbraw/zinc/51/86/85/1068518685.db2.gz VMZCYCKZLIYOJR-JLTOFOAXSA-N -1 1 480.533 4.100 20 0 JIADMM O=C(COC(=O)c1cc(Br)ccc1OCc1ccccc1)[N-]C(=O)c1ccccc1 ZINC000849205503 1068963822 /nfs/dbraw/zinc/96/38/22/1068963822.db2.gz ILPSXWDCKSYWBO-UHFFFAOYSA-N -1 1 468.303 4.142 20 0 JIADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)n[n-]1 ZINC001300607400 1069205416 /nfs/dbraw/zinc/20/54/16/1069205416.db2.gz FZNOBFMEFHJNSR-VIFPVBQESA-N -1 1 454.339 4.211 20 0 JIADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)[n-]1 ZINC001300607400 1069205427 /nfs/dbraw/zinc/20/54/27/1069205427.db2.gz FZNOBFMEFHJNSR-VIFPVBQESA-N -1 1 454.339 4.211 20 0 JIADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)n1 ZINC001300607400 1069205440 /nfs/dbraw/zinc/20/54/40/1069205440.db2.gz FZNOBFMEFHJNSR-VIFPVBQESA-N -1 1 454.339 4.211 20 0 JIADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCc1ccccc1OC(F)F ZINC001359697573 1070357887 /nfs/dbraw/zinc/35/78/87/1070357887.db2.gz XIEFUHSRNVYKCD-UHFFFAOYSA-N -1 1 489.489 4.141 20 0 JIADMM CS[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)C ZINC001316392458 1066167071 /nfs/dbraw/zinc/16/70/71/1066167071.db2.gz DAUZXKNNQHDKKS-INIZCTEOSA-N -1 1 463.614 4.149 20 0 JIADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)c(F)cc1Br ZINC001475112483 1066225312 /nfs/dbraw/zinc/22/53/12/1066225312.db2.gz XTORCEMOAUAESD-UHFFFAOYSA-N -1 1 450.370 4.260 20 0 JIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001334875184 1066403679 /nfs/dbraw/zinc/40/36/79/1066403679.db2.gz XGWWJMVKYUENIW-NRFANRHFSA-N -1 1 488.548 4.335 20 0 JIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001334875185 1066403755 /nfs/dbraw/zinc/40/37/55/1066403755.db2.gz XGWWJMVKYUENIW-OAQYLSRUSA-N -1 1 488.548 4.335 20 0 JIADMM Cc1csc(CCCNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)n1 ZINC001338328520 1066547922 /nfs/dbraw/zinc/54/79/22/1066547922.db2.gz IAKDYXHRDDRUDO-UHFFFAOYSA-N -1 1 467.975 4.407 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccoc2)CC1)C(F)(F)F ZINC001316564305 1066583544 /nfs/dbraw/zinc/58/35/44/1066583544.db2.gz HGFPEJCTXMDPMY-UHFFFAOYSA-N -1 1 481.906 4.059 20 0 JIADMM O=C(NCCc1ccc(C(F)(F)F)cn1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001348063791 1066718011 /nfs/dbraw/zinc/71/80/11/1066718011.db2.gz JCNVLEUQVKVUPE-UHFFFAOYSA-N -1 1 467.444 4.013 20 0 JIADMM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC001317917631 1066785967 /nfs/dbraw/zinc/78/59/67/1066785967.db2.gz SLANRCBPAHPULH-UHFFFAOYSA-N -1 1 467.272 4.275 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2)c1C ZINC001349637521 1066863959 /nfs/dbraw/zinc/86/39/59/1066863959.db2.gz FCKNXHYQJYWQHF-UHFFFAOYSA-N -1 1 477.508 4.491 20 0 JIADMM CCc1nnc([N-]C(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)s1 ZINC001349643025 1066865284 /nfs/dbraw/zinc/86/52/84/1066865284.db2.gz WRUDFKLAMIQMGF-UHFFFAOYSA-N -1 1 459.391 4.428 20 0 JIADMM O=C(CC(C1CC1)C1CC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001318089840 1066894251 /nfs/dbraw/zinc/89/42/51/1066894251.db2.gz HKQXNEAGMIRPAB-UHFFFAOYSA-N -1 1 456.564 4.414 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3CN3CCCC3=O)c2)cc1 ZINC001318104766 1066901925 /nfs/dbraw/zinc/90/19/25/1066901925.db2.gz BANLGUHEQMKKNL-UHFFFAOYSA-N -1 1 493.585 4.261 20 0 JIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(N(C)C)cc3)cc2)c1 ZINC001318142832 1066922079 /nfs/dbraw/zinc/92/20/79/1066922079.db2.gz GHNWRZDEXKGQPA-UHFFFAOYSA-N -1 1 451.592 4.143 20 0 JIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3coc(-c4ccccc4)n3)cc2)cc1 ZINC001318186999 1066947058 /nfs/dbraw/zinc/94/70/58/1066947058.db2.gz RKPWDZQAGZRQMF-UHFFFAOYSA-N -1 1 489.553 4.318 20 0 JIADMM CC(C)c1n[nH]c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1 ZINC001318298915 1067007181 /nfs/dbraw/zinc/00/71/81/1067007181.db2.gz YKLYUNKHYKNSDS-UHFFFAOYSA-N -1 1 454.339 4.288 20 0 JIADMM O=C(CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1)c1ccc([O-])cc1O ZINC001318929431 1067061786 /nfs/dbraw/zinc/06/17/86/1067061786.db2.gz TUNPXUAPUCWMTR-UHFFFAOYSA-N -1 1 465.556 4.250 20 0 JIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC001319187650 1067069474 /nfs/dbraw/zinc/06/94/74/1067069474.db2.gz IAIAXVYYAJBNBA-AWEZNQCLSA-N -1 1 461.971 4.040 20 0 JIADMM O=C(Nc1cc(N2CCOC2=O)ccc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001319888385 1067080057 /nfs/dbraw/zinc/08/00/57/1067080057.db2.gz NQHMKHFSEPXHRV-UHFFFAOYSA-N -1 1 491.447 4.114 20 0 JIADMM O=C1CCc2cc(S(=O)(=O)[N-]c3cc4c(cc3Sc3ccccc3)OCCO4)ccc2N1 ZINC001321254450 1067103079 /nfs/dbraw/zinc/10/30/79/1067103079.db2.gz QKZBBPLIISAAQJ-UHFFFAOYSA-N -1 1 468.556 4.295 20 0 JIADMM Cc1csc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC001321425659 1067123939 /nfs/dbraw/zinc/12/39/39/1067123939.db2.gz YFNDUXFQSUVPJD-UHFFFAOYSA-N -1 1 494.436 4.377 20 0 JIADMM Cc1nc(COC(=O)c2ccc([N-]S(=O)(=O)c3ccc([C@H](C)O)cc3)cc2)nc2ccccc12 ZINC001322246863 1067267745 /nfs/dbraw/zinc/26/77/45/1067267745.db2.gz AXRHOKXATRNWFA-KRWDZBQOSA-N -1 1 477.542 4.149 20 0 JIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC(C)C)CC3)c2)cc1 ZINC001323413698 1067320353 /nfs/dbraw/zinc/32/03/53/1067320353.db2.gz RLSNSYBMMQRSOO-UHFFFAOYSA-N -1 1 485.650 4.161 20 0 JIADMM COc1cccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)s2)c1 ZINC000500991153 1067398081 /nfs/dbraw/zinc/39/80/81/1067398081.db2.gz UVAJRMWMYAOTOC-UHFFFAOYSA-N -1 1 498.561 4.330 20 0 JIADMM CC[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001300092442 1067651471 /nfs/dbraw/zinc/65/14/71/1067651471.db2.gz NJORFBUIBSCUFB-WOJBJXKFSA-N -1 1 450.988 4.215 20 0 JIADMM CC[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001300092439 1067651681 /nfs/dbraw/zinc/65/16/81/1067651681.db2.gz NJORFBUIBSCUFB-PMACEKPBSA-N -1 1 450.988 4.215 20 0 JIADMM O=C(Nc1ccn(-c2ccccc2)n1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000491377994 1068048932 /nfs/dbraw/zinc/04/89/32/1068048932.db2.gz APOPGENATUBRAK-UHFFFAOYSA-N -1 1 490.541 4.087 20 0 JIADMM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC001353494360 1068208735 /nfs/dbraw/zinc/20/87/35/1068208735.db2.gz IZLUUFRQJXTGMJ-UHFFFAOYSA-N -1 1 450.601 4.096 20 0 JIADMM COCc1nc2sc(C(=O)[N-]c3nnc(Cc4ccc(C)cc4)s3)c(C)c2c(OC)n1 ZINC000519426435 1068315872 /nfs/dbraw/zinc/31/58/72/1068315872.db2.gz QSWASIKZTMBWJV-UHFFFAOYSA-N -1 1 455.565 4.158 20 0 JIADMM Cc1c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n[nH]c1C(F)(F)F ZINC000618485877 1068342500 /nfs/dbraw/zinc/34/25/00/1068342500.db2.gz YUYQIUGASGXATH-UHFFFAOYSA-N -1 1 458.849 4.443 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001300346912 1068346594 /nfs/dbraw/zinc/34/65/94/1068346594.db2.gz KRTMVHWYMFCOEC-APWZRJJASA-N -1 1 476.570 4.175 20 0 JIADMM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000622580940 1068364350 /nfs/dbraw/zinc/36/43/50/1068364350.db2.gz YNNYIKURIWEHCT-UHFFFAOYSA-N -1 1 482.216 4.207 20 0 JIADMM COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001300407011 1068576881 /nfs/dbraw/zinc/57/68/81/1068576881.db2.gz CWBZHFAIVPQUIH-JZXOWHBKSA-N -1 1 458.496 4.414 20 0 JIADMM COc1ccccc1[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1noc(C)n1 ZINC001353795989 1068594841 /nfs/dbraw/zinc/59/48/41/1068594841.db2.gz ADCXNLBCOOZSER-INIZCTEOSA-N -1 1 452.255 4.147 20 0 JIADMM CSc1cccc(Nc2ccc(NC(=O)Cc3c(C)nc(-c4ccncc4)[n-]c3=O)nc2)c1 ZINC001300454074 1068766806 /nfs/dbraw/zinc/76/68/06/1068766806.db2.gz TUYOOQLTTRBBRZ-UHFFFAOYSA-N -1 1 458.547 4.182 20 0 JIADMM COc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F ZINC001200560568 1068892568 /nfs/dbraw/zinc/89/25/68/1068892568.db2.gz XJCALMKZQBUVOG-OAHLLOKOSA-N -1 1 484.521 4.162 20 0 JIADMM CCOC(=O)C1=C(NC(=O)CCc2ccccc2Br)[N-]c2ccccc2N=C1C ZINC001354468893 1069243492 /nfs/dbraw/zinc/24/34/92/1069243492.db2.gz ZLNRVNZQXPTMCJ-UHFFFAOYSA-N -1 1 456.340 4.491 20 0 JIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1cnn(-c2ccc(Br)cc2)n1 ZINC001354479143 1069247945 /nfs/dbraw/zinc/24/79/45/1069247945.db2.gz XRIKRTNHDKPUOZ-UHFFFAOYSA-N -1 1 458.060 4.323 20 0 JIADMM CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC001359407210 1069515825 /nfs/dbraw/zinc/51/58/25/1069515825.db2.gz XHBPFDBFAHADKR-UHFFFAOYSA-N -1 1 490.608 4.073 20 0 JIADMM CSC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001316369799 1066115966 /nfs/dbraw/zinc/11/59/66/1066115966.db2.gz IKVIWUTVNOKSPK-HXUWFJFHSA-N -1 1 458.628 4.466 20 0 JIADMM CSc1ccc(F)cc1Cn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001316418876 1066220751 /nfs/dbraw/zinc/22/07/51/1066220751.db2.gz MMSHUFGKNMJHHJ-UHFFFAOYSA-N -1 1 487.567 4.380 20 0 JIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC001324888438 1066232400 /nfs/dbraw/zinc/23/24/00/1066232400.db2.gz JIHUZHRAMXHMDL-HXUWFJFHSA-N -1 1 497.661 4.224 20 0 JIADMM C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)C(=O)NCc1ccco1 ZINC001325241145 1066241206 /nfs/dbraw/zinc/24/12/06/1066241206.db2.gz XPWZDYJRJSLXON-ZDUSSCGKSA-N -1 1 497.356 4.249 20 0 JIADMM Cc1cccc(-c2nnc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2CCCOC(F)F)n1 ZINC001492506634 1066327087 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Cc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001300364674 1068398123 /nfs/dbraw/zinc/39/81/23/1068398123.db2.gz SPGCXIRLIXRNGU-UHFFFAOYSA-N -1 1 455.511 4.167 20 0 JIADMM COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001300409030 1068585058 /nfs/dbraw/zinc/58/50/58/1068585058.db2.gz QGPWEPCIRILROZ-QZIVSUOLSA-N -1 1 458.496 4.270 20 0 JIADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001300543856 1068979033 /nfs/dbraw/zinc/97/90/33/1068979033.db2.gz XINNVWIZLFHVLB-ZFWWWQNUSA-N -1 1 452.395 4.207 20 0 JIADMM COc1cccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)CC2)c1 ZINC001324580854 1066224343 /nfs/dbraw/zinc/22/43/43/1066224343.db2.gz UVYGSAQGBBYNQP-UHFFFAOYSA-N -1 1 479.602 4.203 20 0 JIADMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1cccs1 ZINC001325241133 1066241453 /nfs/dbraw/zinc/24/14/53/1066241453.db2.gz XFGYSCLOHFVHCW-UHFFFAOYSA-N -1 1 480.361 4.351 20 0 JIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccnc3N3CCCC3)c2)cc1 ZINC001329594602 1066341581 /nfs/dbraw/zinc/34/15/81/1066341581.db2.gz RVPKNRYDNSTMNA-UHFFFAOYSA-N -1 1 466.563 4.134 20 0 JIADMM O=C([N-]CC1CCN(c2nnc(-c3ccccc3F)n2CCc2ccsc2)CC1)C(F)(F)F ZINC001316564821 1066584305 /nfs/dbraw/zinc/58/43/05/1066584305.db2.gz LBAPMTFWVRWVER-UHFFFAOYSA-N -1 1 481.519 4.283 20 0 JIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2)ccc1F ZINC001348604092 1066761658 /nfs/dbraw/zinc/76/16/58/1066761658.db2.gz LXGPKOUHSLMEQV-UHFFFAOYSA-N -1 1 481.471 4.321 20 0 JIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC(=O)NC)c2)cc1 ZINC001317920831 1066787472 /nfs/dbraw/zinc/78/74/72/1066787472.db2.gz PVYCQDYTPHUQOZ-UHFFFAOYSA-N -1 1 479.602 4.371 20 0 JIADMM [O-]C(c1cccnc1)=C1[C@H](c2ccc(-c3ccccc3)s2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC001317925180 1066790211 /nfs/dbraw/zinc/79/02/11/1066790211.db2.gz NCPHQASBDIDFAQ-ZWOKBUDYSA-N -1 1 463.506 4.079 20 0 JIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(C(=O)CC(C)C)CC3)c2)cc1C ZINC001317936730 1066796179 /nfs/dbraw/zinc/79/61/79/1066796179.db2.gz SLCNURIJGWYNQF-UHFFFAOYSA-N -1 1 492.041 4.088 20 0 JIADMM O=C([N-]c1nnc(SCc2cccs2)s1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001317991403 1066837339 /nfs/dbraw/zinc/83/73/39/1066837339.db2.gz YVDMUWFVQKJWLR-UHFFFAOYSA-N -1 1 479.410 4.487 20 0 JIADMM O=C(Cn1cnc([N-]C(=O)c2cc3sc(Nc4ccccc4)nc3s2)n1)N1CCCCCC1 ZINC001318179519 1066941964 /nfs/dbraw/zinc/94/19/64/1066941964.db2.gz ORRBACOWINQYCI-UHFFFAOYSA-N -1 1 481.607 4.348 20 0 JIADMM Cc1ccc2c(c1)S[C@@H](C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c3ccccc3)c1)C2 ZINC001318211507 1066961043 /nfs/dbraw/zinc/96/10/43/1066961043.db2.gz MWJNGEXOZZPKTB-HSZRJFAPSA-N -1 1 452.601 4.471 20 0 JIADMM COc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001318243710 1066980795 /nfs/dbraw/zinc/98/07/95/1066980795.db2.gz WPWZMVCURGIOGQ-QGZVFWFLSA-N -1 1 456.539 4.338 20 0 JIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)c(Cl)c3)cc2)cc1C ZINC001318280444 1066999899 /nfs/dbraw/zinc/99/98/99/1066999899.db2.gz IWBSQQRGTPSGGM-UHFFFAOYSA-N -1 1 493.006 4.413 20 0 JIADMM Cc1cc([C@H](C)NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)c(C)o1 ZINC001320276399 1067088910 /nfs/dbraw/zinc/08/89/10/1067088910.db2.gz YUNRXZWYHXVWAF-HRAATJIYSA-N -1 1 482.606 4.200 20 0 JIADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001320909654 1067095144 /nfs/dbraw/zinc/09/51/44/1067095144.db2.gz IEMNQZWJJUYSOK-CQSZACIVSA-N -1 1 476.360 4.082 20 0 JIADMM CCOC(=O)C1=C(NC(=O)c2c(Cl)nc3cc(Cl)ccn32)[N-]c2ccccc2N=C1C ZINC001352133295 1067296546 /nfs/dbraw/zinc/29/65/46/1067296546.db2.gz UATZHNGWLWLECA-UHFFFAOYSA-N -1 1 458.305 4.364 20 0 JIADMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)n1CC1CC1 ZINC001322469981 1067298143 /nfs/dbraw/zinc/29/81/43/1067298143.db2.gz XYXCPJQRXMCZKV-UHFFFAOYSA-N -1 1 481.574 4.339 20 0 JIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3c4ccccc4CC[C@@H]3C)cc2)cc1 ZINC001323390861 1067319127 /nfs/dbraw/zinc/31/91/27/1067319127.db2.gz SQMWQUIDIUAGRS-IBGZPJMESA-N -1 1 491.613 4.261 20 0 JIADMM COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)ccc2OC)cc1 ZINC001323467703 1067321931 /nfs/dbraw/zinc/32/19/31/1067321931.db2.gz GRXFODXXDJZEDU-UHFFFAOYSA-N -1 1 452.532 4.064 20 0 JIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001355033705 1067351222 /nfs/dbraw/zinc/35/12/22/1067351222.db2.gz HRIVXKDFCUVXGP-UHFFFAOYSA-N -1 1 463.217 4.449 20 0 JIADMM CSc1nc(C)c(CCC(=O)Nc2cc(Br)ccc2N2CCCC2)c(=O)[n-]1 ZINC001355775239 1067578968 /nfs/dbraw/zinc/57/89/68/1067578968.db2.gz DBXZYHLEDTYZDV-UHFFFAOYSA-N -1 1 451.390 4.147 20 0 JIADMM C[S@](=O)c1nc(Cl)c(Br)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC001200088803 1067585332 /nfs/dbraw/zinc/58/53/32/1067585332.db2.gz NGPHDDJNKKGQFX-VWLOTQADSA-N -1 1 495.207 4.237 20 0 JIADMM CC[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001300092440 1067651648 /nfs/dbraw/zinc/65/16/48/1067651648.db2.gz NJORFBUIBSCUFB-UXHICEINSA-N -1 1 450.988 4.215 20 0 JIADMM CCCCCn1nc(C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)c2ccccc2c1=O ZINC000848978601 1067728552 /nfs/dbraw/zinc/72/85/52/1067728552.db2.gz JHWJVUVAOPZPJJ-UHFFFAOYSA-N -1 1 462.502 4.318 20 0 JIADMM Cc1cc2c(cc1Br)N(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)CCC2 ZINC001358016255 1067987156 /nfs/dbraw/zinc/98/71/56/1067987156.db2.gz HUYKGQQFLJXTNP-UHFFFAOYSA-N -1 1 455.374 4.020 20 0 JIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](c3ccccc3F)[C@@H](C)O)c2)c1 ZINC001300252544 1068004543 /nfs/dbraw/zinc/00/45/43/1068004543.db2.gz MAFGVDGDUWYAGY-UZUQRXQVSA-N -1 1 456.539 4.095 20 0 JIADMM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1CN1CCN(C)CC1 ZINC001200297824 1068014833 /nfs/dbraw/zinc/01/48/33/1068014833.db2.gz CDEQCMWRXJEMPT-UHFFFAOYSA-N -1 1 459.656 4.321 20 0 JIADMM CCCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)s1 ZINC000491289901 1068037698 /nfs/dbraw/zinc/03/76/98/1068037698.db2.gz UKMGEYHBPKFFIX-UHFFFAOYSA-N -1 1 454.936 4.336 20 0 JIADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1cc(-c2ccccc2)[nH]n1 ZINC000497567057 1068189248 /nfs/dbraw/zinc/18/92/48/1068189248.db2.gz FEFFCCXFUCHOPA-UHFFFAOYSA-N -1 1 450.495 4.198 20 0 JIADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(Nc4nc5ccccc5s4)c3)cc2oc1=O ZINC000511205211 1068193515 /nfs/dbraw/zinc/19/35/15/1068193515.db2.gz LXVLILSYPCUPEC-UHFFFAOYSA-N -1 1 452.517 4.286 20 0 JIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001300347704 1068350225 /nfs/dbraw/zinc/35/02/25/1068350225.db2.gz SHNPSYYGORXSCQ-MOPGFXCFSA-N -1 1 472.607 4.344 20 0 JIADMM CC(=O)Nc1ccc(Cl)c(C(=O)[N-]n2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 ZINC001354457846 1069234053 /nfs/dbraw/zinc/23/40/53/1069234053.db2.gz MYVVWWZDAWQGET-UHFFFAOYSA-N -1 1 452.923 4.429 20 0 JIADMM