smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000001013070 557142202 /nfs/dbraw/zinc/14/22/02/557142202.db2.gz ZGMNMBBPQYLJIG-UDWIEESQSA-N -1 0 419.458 5.190 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)o1 ZINC000001104693 557180016 /nfs/dbraw/zinc/18/00/16/557180016.db2.gz PASWFDLKYHSHMR-XDHOZWIPSA-N -1 0 405.431 5.194 40 10 HKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 ZINC000001200438 132241947 /nfs/dbraw/zinc/24/19/47/132241947.db2.gz MZPNRXCYDFBGSU-LDADJPATSA-N -1 0 422.824 5.115 40 10 HKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000001202148 132242156 /nfs/dbraw/zinc/24/21/56/132242156.db2.gz LJYGVLOXOVJOMK-LDADJPATSA-N -1 0 422.824 5.115 40 10 HKCBRM Cc1cc(Cl)c([O-])c(C[NH+](Cc2cc(C)cc(Cl)c2[O-])C2CCCCC2)c1 ZINC000001681096 557280384 /nfs/dbraw/zinc/28/03/84/557280384.db2.gz PEQZDZSTBPUOHB-UHFFFAOYSA-N -1 0 408.369 6.356 40 10 HKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 ZINC000002144030 557318711 /nfs/dbraw/zinc/31/87/11/557318711.db2.gz RUPWORKYOYIOPC-YBFXNURJSA-N -1 0 423.421 5.020 40 10 HKCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000002169873 557321318 /nfs/dbraw/zinc/32/13/18/557321318.db2.gz PHUUQWBXVRTFKW-UDWIEESQSA-N -1 0 419.458 5.190 40 10 HKCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000002285093 132251402 /nfs/dbraw/zinc/25/14/02/132251402.db2.gz JUTAAMKKSYKGBX-KGENOOAVSA-N -1 0 421.566 5.590 40 10 HKCBRM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)o2)cc1 ZINC000002939201 132260190 /nfs/dbraw/zinc/26/01/90/132260190.db2.gz QBWGYBGTZKAEMB-QGOAFFKASA-N -1 0 418.474 5.554 40 10 HKCBRM O=S(=O)([O-])c1ccc(/N=N/c2c(NNc3ccccc3)ccc3ccccc32)cc1 ZINC000003844578 557499964 /nfs/dbraw/zinc/49/99/64/557499964.db2.gz IQSXWMLQLWBUQB-SHHOIMCASA-N -1 0 418.478 5.941 40 10 HKCBRM Nc1ccc(NN=C2C=CC(=C3C=CC(=O)C=C3)C=C2)c2ccc(S(=O)(=O)[O-])cc12 ZINC000003954094 560191696 /nfs/dbraw/zinc/19/16/96/560191696.db2.gz TZXHCHLXKLYXEN-OCOZRVBESA-N -1 0 419.462 5.457 40 10 in-vitro HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000003999522 132269551 /nfs/dbraw/zinc/26/95/51/132269551.db2.gz CJDVXNWSHASYPB-MSBWEVJISA-N -1 0 403.909 5.933 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000003999523 132269535 /nfs/dbraw/zinc/26/95/35/132269535.db2.gz CJDVXNWSHASYPB-UKFDBNNRSA-N -1 0 403.909 5.933 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 ZINC000003999524 132269528 /nfs/dbraw/zinc/26/95/28/132269528.db2.gz CJDVXNWSHASYPB-DJIOSBNXSA-N -1 0 403.909 5.933 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 ZINC000003999525 132269507 /nfs/dbraw/zinc/26/95/07/132269507.db2.gz CJDVXNWSHASYPB-WPUDHWPRSA-N -1 0 403.909 5.933 40 10 HKCBRM O=C([O-])[C@@H]1Nc2c(C(=O)Oc3ccc(-c4ccccc4)cc3)cccc2[C@H]2C=CC[C@@H]21 ZINC000004090820 560892786 /nfs/dbraw/zinc/89/27/86/560892786.db2.gz MCIYJCSAOJOHTR-NHCICSSKSA-N -1 0 411.457 5.111 40 10 HKCBRM O=C([O-])[C@@H]1Nc2c(C(=O)Oc3ccc(-c4ccccc4)cc3)cccc2[C@H]2C=CC[C@H]21 ZINC000004090824 560892776 /nfs/dbraw/zinc/89/27/76/560892776.db2.gz MCIYJCSAOJOHTR-ZILOHOTNSA-N -1 0 411.457 5.111 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004131798 132271912 /nfs/dbraw/zinc/27/19/12/132271912.db2.gz IXGVBQGFTCJTJG-MSBWEVJISA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004131803 132272164 /nfs/dbraw/zinc/27/21/64/132272164.db2.gz IXGVBQGFTCJTJG-UKFDBNNRSA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 ZINC000004131809 132272142 /nfs/dbraw/zinc/27/21/42/132272142.db2.gz IXGVBQGFTCJTJG-DJIOSBNXSA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 ZINC000004131814 132272138 /nfs/dbraw/zinc/27/21/38/132272138.db2.gz IXGVBQGFTCJTJG-WPUDHWPRSA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000004158439 557521294 /nfs/dbraw/zinc/52/12/94/557521294.db2.gz ADLROLKERNBSLQ-VLGSPTGOSA-N -1 0 405.585 5.483 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000004728026 568419451 /nfs/dbraw/zinc/41/94/51/568419451.db2.gz UPZQBMUNPBQUAC-OGHNNQOOSA-N -1 0 404.691 5.627 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000004728027 568419372 /nfs/dbraw/zinc/41/93/72/568419372.db2.gz UPZQBMUNPBQUAC-GDZNZVCISA-N -1 0 404.691 5.627 40 10 HKCBRM COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=CC(=O)C=C1 ZINC000004758261 557595045 /nfs/dbraw/zinc/59/50/45/557595045.db2.gz FRASVXZUWANQQU-DQPVQCHKSA-N -1 0 412.427 5.478 40 10 HKCBRM CCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2)cc1 ZINC000004758331 557595060 /nfs/dbraw/zinc/59/50/60/557595060.db2.gz KTAYWQSBDYZAKM-MBALSZOMSA-N -1 0 410.455 6.163 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000004808325 568420966 /nfs/dbraw/zinc/42/09/66/568420966.db2.gz SGDGWJYKGHLMDK-RZQQEMMASA-N -1 0 413.926 5.359 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000004808329 568420915 /nfs/dbraw/zinc/42/09/15/568420915.db2.gz SGDGWJYKGHLMDK-TWOQFEAHSA-N -1 0 413.926 5.359 40 10 HKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000005174082 557638730 /nfs/dbraw/zinc/63/87/30/557638730.db2.gz UEJZNXCLUWIGAF-CPNJWEJPSA-N -1 0 401.849 5.510 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S ZINC000005214045 557640235 /nfs/dbraw/zinc/64/02/35/557640235.db2.gz XWIIMWVIIVYVSR-SDXDJHTJSA-N -1 0 421.584 5.189 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000005214046 557640263 /nfs/dbraw/zinc/64/02/63/557640263.db2.gz VXHVDXIECQNSHD-SDXDJHTJSA-N -1 0 421.584 5.189 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000005214047 557640292 /nfs/dbraw/zinc/64/02/92/557640292.db2.gz VVTFMXGTHCBBGP-SDXDJHTJSA-N -1 0 421.584 5.189 40 10 HKCBRM Cc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1 ZINC000005214048 557640276 /nfs/dbraw/zinc/64/02/76/557640276.db2.gz RLSHEBYGPADMNR-MNDPQUGUSA-N -1 0 419.612 5.792 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000005214096 557640245 /nfs/dbraw/zinc/64/02/45/557640245.db2.gz CLGTTXFAJJQEHO-SDXDJHTJSA-N -1 0 423.575 5.622 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000005214097 557640273 /nfs/dbraw/zinc/64/02/73/557640273.db2.gz NICXHUPCYXTKHW-SDXDJHTJSA-N -1 0 423.575 5.622 40 10 HKCBRM Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1/N=N/c1ccc(C(=O)[O-])cc1 ZINC000005495768 557657833 /nfs/dbraw/zinc/65/78/33/557657833.db2.gz MZJCVPZJZVHLRV-OCEACIFDSA-N -1 0 411.421 5.056 40 10 HKCBRM Cc1cccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c1 ZINC000005551785 557661104 /nfs/dbraw/zinc/66/11/04/557661104.db2.gz NZQFVXAHEWFYEE-MNDPQUGUSA-N -1 0 419.612 5.792 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000005551861 557661062 /nfs/dbraw/zinc/66/10/62/557661062.db2.gz XSVXWLCZBTUAPL-SDXDJHTJSA-N -1 0 423.575 5.622 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000005552000 557661083 /nfs/dbraw/zinc/66/10/83/557661083.db2.gz OJYPMPRRALYNLG-UNOMPAQXSA-N -1 0 405.500 5.252 40 10 HKCBRM Cc1ccccc1/C=C1\SC(=S)N(CCCCCCCCCCC(=O)[O-])C1=O ZINC000005552993 557661581 /nfs/dbraw/zinc/66/15/81/557661581.db2.gz ITRLFZRCJYCXQC-MNDPQUGUSA-N -1 0 419.612 5.792 40 10 HKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000005815697 560738907 /nfs/dbraw/zinc/73/89/07/560738907.db2.gz QQCSVEBSQCQGIR-RCCKNPSSSA-N -1 0 412.445 5.081 40 10 HKCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O ZINC000005947704 560739133 /nfs/dbraw/zinc/73/91/33/560739133.db2.gz NLCFKUADTXCMFB-PXLXIMEGSA-N -1 0 419.525 5.464 40 10 HKCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000005947743 560739163 /nfs/dbraw/zinc/73/91/63/560739163.db2.gz QGPUWXDGOJVJAC-HYARGMPZSA-N -1 0 423.472 5.165 40 10 HKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000006388005 560742604 /nfs/dbraw/zinc/74/26/04/560742604.db2.gz PFUCPZCADGXZHJ-LTGZKZEYSA-N -1 0 411.457 5.255 40 10 HKCBRM O=S(=O)([N-]c1nc(-c2cccc3ccccc32)cs1)c1ccc(Cl)cc1 ZINC000006553355 569333322 /nfs/dbraw/zinc/33/33/22/569333322.db2.gz IGBXHGXNXIRGEL-UHFFFAOYSA-N -1 0 400.912 5.418 40 10 HKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006883868 557728733 /nfs/dbraw/zinc/72/87/33/557728733.db2.gz MJOINTDJELPZRP-JQIJEIRASA-N -1 0 411.614 5.545 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000006926139 560746813 /nfs/dbraw/zinc/74/68/13/560746813.db2.gz QVQLTGLMGZMBNW-UWVAXJGDSA-N -1 0 413.926 5.359 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000008377898 557784549 /nfs/dbraw/zinc/78/45/49/557784549.db2.gz BFERHBIYSDDSTB-VBQJREDUSA-N -1 0 404.691 5.627 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000008821566 557810793 /nfs/dbraw/zinc/81/07/93/557810793.db2.gz XFQUDTUQKVZTNT-CHHVJCJISA-N -1 0 424.330 5.406 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000008821571 557810670 /nfs/dbraw/zinc/81/06/70/557810670.db2.gz DUKDIKYQIYEVCP-NVNXTCNLSA-N -1 0 424.330 5.406 40 10 HKCBRM O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)S1 ZINC000008821802 557810735 /nfs/dbraw/zinc/81/07/35/557810735.db2.gz AXZYXVJVBBHGMZ-WOJGMQOQSA-N -1 0 424.865 5.381 40 10 HKCBRM O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000008821809 557810767 /nfs/dbraw/zinc/81/07/67/557810767.db2.gz FKGVCAFFGVWGMQ-WOJGMQOQSA-N -1 0 424.865 5.381 40 10 HKCBRM Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1C(=O)[O-] ZINC000008828401 557811245 /nfs/dbraw/zinc/81/12/45/557811245.db2.gz AYQVDYYCLPQXDW-NVNXTCNLSA-N -1 0 424.330 5.406 40 10 HKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000009324307 557837211 /nfs/dbraw/zinc/83/72/11/557837211.db2.gz UEJZNXCLUWIGAF-UYRXBGFRSA-N -1 0 401.849 5.510 40 10 HKCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000012032588 558311453 /nfs/dbraw/zinc/31/14/53/558311453.db2.gz VHLAUQSHFAWTLK-KQGZCTBQSA-N -1 0 424.330 5.021 40 10 HKCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000012032589 558311414 /nfs/dbraw/zinc/31/14/14/558311414.db2.gz VHLAUQSHFAWTLK-MZLJFPOFSA-N -1 0 424.330 5.021 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000012273943 558363416 /nfs/dbraw/zinc/36/34/16/558363416.db2.gz WAZAUTPHLQUNFY-IVRZWDCSSA-N -1 0 415.923 5.222 40 10 HKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 ZINC000012273951 558363389 /nfs/dbraw/zinc/36/33/89/558363389.db2.gz KHTPRHDZCKKLOR-ZSOIEALJSA-N -1 0 410.303 5.097 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 ZINC000012436668 132359989 /nfs/dbraw/zinc/35/99/89/132359989.db2.gz IXGVBQGFTCJTJG-AUJACXKFSA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 ZINC000012660287 132365874 /nfs/dbraw/zinc/36/58/74/132365874.db2.gz CJDVXNWSHASYPB-CZKWCHMESA-N -1 0 403.909 5.933 40 10 HKCBRM Nc1ccc(NN=C2C=CC(=C3C=CC(=O)C=C3)C=C2)c2ccc(S(=O)(=O)[O-])cc12 ZINC000012671989 558445828 /nfs/dbraw/zinc/44/58/28/558445828.db2.gz TZXHCHLXKLYXEN-IZHYLOQSSA-N -1 0 419.462 5.457 40 10 in-vitro HKCBRM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000013810030 558595212 /nfs/dbraw/zinc/59/52/12/558595212.db2.gz JERIWRPQOYWGRY-PDGQHHTCSA-N -1 0 406.825 5.104 40 10 HKCBRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000014153057 560839178 /nfs/dbraw/zinc/83/91/78/560839178.db2.gz RGEXWJYOKZMHNN-UHFFFAOYSA-N -1 0 410.901 5.081 40 10 HKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000014291512 560841070 /nfs/dbraw/zinc/84/10/70/560841070.db2.gz MEVOHWWBOLUEFJ-UHFFFAOYSA-N -1 0 420.317 5.166 40 10 HKCBRM CC(C)=CCc1cc(-c2coc3cc([O-])c(CC=C(C)C)c(O)c3c2=O)cc(O)c1O ZINC000014727602 291287106 /nfs/dbraw/zinc/28/71/06/291287106.db2.gz QNLGNISMYMFVHP-UHFFFAOYSA-N -1 0 422.477 5.300 40 10 endogenous,in-man HKCBRM CC(C)=CCc1c([O-])c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O ZINC000014727604 291285923 /nfs/dbraw/zinc/28/59/23/291285923.db2.gz OAUIRSVJXOFAOO-UHFFFAOYSA-N -1 0 422.477 5.300 40 10 biogenic,in-vitro HKCBRM Cc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)o1 ZINC000016663324 558798385 /nfs/dbraw/zinc/79/83/85/558798385.db2.gz OKVOUZWYJGREPU-SAPNQHFASA-N -1 0 409.573 5.385 40 10 HKCBRM O=S(=O)(Nc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000016807774 558807767 /nfs/dbraw/zinc/80/77/67/558807767.db2.gz YRFCFWFATKLMKR-UHFFFAOYSA-N -1 0 421.516 5.460 40 10 HKCBRM CC(Nc1cccc(Cl)c1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017082299 560862034 /nfs/dbraw/zinc/86/20/34/560862034.db2.gz USECVMREFCZHPF-XLNRJJMWSA-N -1 0 401.897 5.785 40 10 HKCBRM CC(Nc1ccc(Cl)cc1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017082301 560862078 /nfs/dbraw/zinc/86/20/78/560862078.db2.gz QWPLNKGFTCXWFD-XLNRJJMWSA-N -1 0 401.897 5.785 40 10 HKCBRM CC(=Nc1ccc(Cl)c(F)c1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000017083275 560862379 /nfs/dbraw/zinc/86/23/79/560862379.db2.gz YJFKGDQWJCPQHG-QNGOZBTKSA-N -1 0 405.860 5.616 40 10 HKCBRM CC(=Nc1ccccc1Cl)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000017083276 560862352 /nfs/dbraw/zinc/86/23/52/560862352.db2.gz JNRKXNPEBPXHRS-QNGOZBTKSA-N -1 0 405.860 5.616 40 10 HKCBRM CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000017089131 560864037 /nfs/dbraw/zinc/86/40/37/560864037.db2.gz ABHSYVXGOZMKRA-XLNRJJMWSA-N -1 0 412.449 5.040 40 10 HKCBRM CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000017090285 560865055 /nfs/dbraw/zinc/86/50/55/560865055.db2.gz ZAKSTYDRHRFVHY-QJOMJCCJSA-N -1 0 415.468 5.361 40 10 HKCBRM CC(=Nc1ccc(Cl)c(F)c1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000017093712 560868311 /nfs/dbraw/zinc/86/83/11/560868311.db2.gz SXHGOQBLIGQWRB-STZFKDTASA-N -1 0 423.850 5.755 40 10 HKCBRM Cc1coc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)c1C ZINC000017819767 558828082 /nfs/dbraw/zinc/82/80/82/558828082.db2.gz VWGKRHZISCHYAY-WCWDXBQESA-N -1 0 422.466 5.366 40 10 HKCBRM S=C([N-]c1ccc(N=Nc2ccccc2)cc1)SCc1ccc2c(c1)OCO2 ZINC000018120708 558831663 /nfs/dbraw/zinc/83/16/63/558831663.db2.gz YRGIKPSOMAKLBL-WCWDXBQESA-N -1 0 407.520 6.461 40 10 HKCBRM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000019831020 569430855 /nfs/dbraw/zinc/43/08/55/569430855.db2.gz RHPWFSMGWWBNSF-PUTJDCORSA-N -1 0 411.672 6.087 40 10 HKCBRM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000019831021 569430889 /nfs/dbraw/zinc/43/08/89/569430889.db2.gz RHPWFSMGWWBNSF-IEVXNVSRSA-N -1 0 411.672 6.087 40 10 HKCBRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000022259242 558474884 /nfs/dbraw/zinc/47/48/84/558474884.db2.gz TZGNCCARRSXJIY-UHFFFAOYSA-N -1 0 413.926 5.495 40 10 HKCBRM O=C([O-])COc1ccc(NN=C2C=Cc3cc(Br)ccc3C2=O)cc1 ZINC000025693009 558647995 /nfs/dbraw/zinc/64/79/95/558647995.db2.gz QCURKLGNSOCWSK-MRCUWXFGSA-N -1 0 401.216 5.187 40 10 HKCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000028048151 568778553 /nfs/dbraw/zinc/77/85/53/568778553.db2.gz ZAZGSLHWCOKTRH-KQGZCTBQSA-N -1 0 424.330 5.021 40 10 HKCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000028048153 568778522 /nfs/dbraw/zinc/77/85/22/568778522.db2.gz ZAZGSLHWCOKTRH-MZLJFPOFSA-N -1 0 424.330 5.021 40 10 HKCBRM COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000032109699 525651160 /nfs/dbraw/zinc/65/11/60/525651160.db2.gz YLISTCGSZOSQOE-MOSHPQCFSA-N -1 0 416.502 5.137 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000032121190 526345751 /nfs/dbraw/zinc/34/57/51/526345751.db2.gz ZOJXXDRSGRXKGD-VBQJREDUSA-N -1 0 404.691 5.627 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000032121276 526346111 /nfs/dbraw/zinc/34/61/11/526346111.db2.gz QVQLTGLMGZMBNW-QKLQHJQFSA-N -1 0 413.926 5.359 40 10 HKCBRM O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc(F)c1 ZINC000033313222 568696749 /nfs/dbraw/zinc/69/67/49/568696749.db2.gz QGALEDWDQNHBRP-AWNIVKPZSA-N -1 0 400.283 5.244 40 10 HKCBRM CN1C(=O)/C(=C\c2ccc(/N=N/c3cccc(C(F)(F)F)c3)cc2[O-])SC1=S ZINC000033386878 569360217 /nfs/dbraw/zinc/36/02/17/569360217.db2.gz SJGCYHLCDRUGNR-AUUQIBHGSA-N -1 0 423.441 5.657 40 10 HKCBRM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000033446786 568696902 /nfs/dbraw/zinc/69/69/02/568696902.db2.gz PHWGSZUKVYVWON-VGOFMYFVSA-N -1 0 410.303 5.097 40 10 HKCBRM CCCCc1c([O-])n(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)c1=O ZINC000033506176 558769070 /nfs/dbraw/zinc/76/90/70/558769070.db2.gz VQAREFIHUMMGEN-XMMPIXPASA-N -1 0 414.505 5.367 40 10 in-vitro HKCBRM CCCCc1c([O-])n(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)c1=O ZINC000033506177 558769168 /nfs/dbraw/zinc/76/91/68/558769168.db2.gz VQAREFIHUMMGEN-DEOSSOPVSA-N -1 0 414.505 5.367 40 10 in-vitro HKCBRM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000033660522 568516234 /nfs/dbraw/zinc/51/62/34/568516234.db2.gz RHPWFSMGWWBNSF-YNHOBRIKSA-N -1 0 411.672 6.087 40 10 HKCBRM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000033660523 568516258 /nfs/dbraw/zinc/51/62/58/568516258.db2.gz RHPWFSMGWWBNSF-XQJJYNOISA-N -1 0 411.672 6.087 40 10 HKCBRM CC(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000033939038 568698622 /nfs/dbraw/zinc/69/86/22/568698622.db2.gz DEDOHWINHQJMJV-GZTJUZNOSA-N -1 0 413.271 5.079 40 10 HKCBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)ccc1O ZINC000034139078 568698578 /nfs/dbraw/zinc/69/85/78/568698578.db2.gz CSHGSSRHGXELIU-SFQUDFHCSA-N -1 0 417.848 5.215 40 10 HKCBRM CC(C)(C)c1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(C(C)(C)C)c1O ZINC000038188257 569360739 /nfs/dbraw/zinc/36/07/39/569360739.db2.gz MNFLNQIZAHKRBP-MHWRWJLKSA-N -1 0 424.497 5.083 40 10 HKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCc4ccco4)o3)C2=O)cc1 ZINC000041108867 523963131 /nfs/dbraw/zinc/96/31/31/523963131.db2.gz ABNXVAPDSFSRRP-PDGQHHTCSA-N -1 0 422.462 5.234 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(Cl)cc2Cl)S1 ZINC000054164377 558866504 /nfs/dbraw/zinc/86/65/04/558866504.db2.gz FNMOLYVRGHHWKC-CHHVJCJISA-N -1 0 407.278 5.082 40 10 HKCBRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058928737 568700127 /nfs/dbraw/zinc/70/01/27/568700127.db2.gz JFDGXWRAHPVJOQ-UWVAXJGDSA-N -1 0 412.327 6.097 40 10 HKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000058928739 568700147 /nfs/dbraw/zinc/70/01/47/568700147.db2.gz OMXFBHJXMKYEBU-MMOPVJDHSA-N -1 0 420.306 6.127 40 10 HKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000058928749 568700019 /nfs/dbraw/zinc/70/00/19/568700019.db2.gz ACFFOEJFMHRGLM-BWACUDIHSA-N -1 0 404.691 5.627 40 10 HKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000058928754 568700138 /nfs/dbraw/zinc/70/01/38/568700138.db2.gz NUWCVOXAAVBGHF-KEYYUXOJSA-N -1 0 404.691 5.627 40 10 HKCBRM CCOc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058928781 568700110 /nfs/dbraw/zinc/70/01/10/568700110.db2.gz VSZQYIPRQBIHBG-GJYPPUQNSA-N -1 0 414.299 5.373 40 10 HKCBRM CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000059087186 568700217 /nfs/dbraw/zinc/70/02/17/568700217.db2.gz UCIUTZVGEUCKJB-LICLKQGHSA-N -1 0 423.925 5.295 40 10 HKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059109531 568703821 /nfs/dbraw/zinc/70/38/21/568703821.db2.gz ZIMSCBQQDZGFRM-HYARGMPZSA-N -1 0 419.525 5.346 40 10 HKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000059109533 568703933 /nfs/dbraw/zinc/70/39/33/568703933.db2.gz LVMLLAIXEARUEV-KGENOOAVSA-N -1 0 419.525 5.346 40 10 HKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059109535 568703827 /nfs/dbraw/zinc/70/38/27/568703827.db2.gz LZWFCRYQHOAEQM-HYARGMPZSA-N -1 0 419.525 5.346 40 10 HKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000059135010 568700960 /nfs/dbraw/zinc/70/09/60/568700960.db2.gz GNLQYBGDSGGFJP-DEDYPNTBSA-N -1 0 409.461 5.256 40 10 HKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137274 568701399 /nfs/dbraw/zinc/70/13/99/568701399.db2.gz WTRDUCCQWUVTSP-CIAFOILYSA-N -1 0 417.440 5.048 40 10 HKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)c1 ZINC000059137667 568701510 /nfs/dbraw/zinc/70/15/10/568701510.db2.gz CLDJWOVMIBIJMZ-XDHOZWIPSA-N -1 0 404.397 5.209 40 10 HKCBRM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000059137758 568701296 /nfs/dbraw/zinc/70/12/96/568701296.db2.gz OFCLLFWPKLXFOW-XDHOZWIPSA-N -1 0 420.465 5.374 40 10 HKCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000059137767 568701488 /nfs/dbraw/zinc/70/14/88/568701488.db2.gz BQMRRRFSDMSIMS-LDADJPATSA-N -1 0 420.465 5.374 40 10 HKCBRM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000059137816 568701514 /nfs/dbraw/zinc/70/15/14/568701514.db2.gz OCPSTDMQEQQLMF-QGOAFFKASA-N -1 0 420.515 5.411 40 10 HKCBRM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000059137828 568701520 /nfs/dbraw/zinc/70/15/20/568701520.db2.gz AVBFGPBUKDSFEU-QGOAFFKASA-N -1 0 404.447 5.246 40 10 HKCBRM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)o2)cc1 ZINC000059137944 568701310 /nfs/dbraw/zinc/70/13/10/568701310.db2.gz YIRRFERJEBGGNR-FOWTUZBSSA-N -1 0 422.437 5.385 40 10 HKCBRM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000059137948 568701451 /nfs/dbraw/zinc/70/14/51/568701451.db2.gz UPPJOVZWZVEVPX-LDADJPATSA-N -1 0 422.437 5.385 40 10 HKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccccc2)cc1 ZINC000059139127 568701756 /nfs/dbraw/zinc/70/17/56/568701756.db2.gz PTZOGIBRYHRPLJ-NBVRZTHBSA-N -1 0 402.450 5.164 40 10 HKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000059426633 568706229 /nfs/dbraw/zinc/70/62/29/568706229.db2.gz LRJYKGLBTZQWMJ-IWIPYMOSSA-N -1 0 420.468 5.276 40 10 HKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])SC2=S)cc1 ZINC000059514307 568708608 /nfs/dbraw/zinc/70/86/08/568708608.db2.gz SATLAJCTBIHRNH-VGOFMYFVSA-N -1 0 412.319 5.113 40 10 HKCBRM O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1-c1ccccc1[S-] ZINC000071404977 558875991 /nfs/dbraw/zinc/87/59/91/558875991.db2.gz AFTYSFKSMTULJV-UHFFFAOYSA-N -1 0 415.297 6.186 40 10 HKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1C ZINC000083295103 558833274 /nfs/dbraw/zinc/83/32/74/558833274.db2.gz NORBSKBSIBUWES-BUVRLJJBSA-N -1 0 420.468 6.117 40 10 HKCBRM CC(C)(C)c1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000090157390 569352593 /nfs/dbraw/zinc/35/25/93/569352593.db2.gz GGNUCXFHIHOSMW-SFQUDFHCSA-N -1 0 420.509 5.494 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000096006226 559089674 /nfs/dbraw/zinc/08/96/74/559089674.db2.gz QVQLTGLMGZMBNW-HLIPFELVSA-N -1 0 413.926 5.359 40 10 HKCBRM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000096585814 568722031 /nfs/dbraw/zinc/72/20/31/568722031.db2.gz ZNSCSFQYSIOXEP-MTJSOVHGSA-N -1 0 421.884 5.347 40 10 HKCBRM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4C)c3=O)n2)cc1 ZINC000100510808 559136110 /nfs/dbraw/zinc/13/61/10/559136110.db2.gz IWTQXXIUNOVXLS-FYTMPNSFSA-N -1 0 405.483 5.002 40 10 HKCBRM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4C)c3=O)n2)cc1 ZINC000100510810 559136143 /nfs/dbraw/zinc/13/61/43/559136143.db2.gz IWTQXXIUNOVXLS-SMIQVMJNSA-N -1 0 405.483 5.002 40 10 HKCBRM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000100510955 559136138 /nfs/dbraw/zinc/13/61/38/559136138.db2.gz SOQNTXCFJUAJLL-FYTMPNSFSA-N -1 0 405.483 5.002 40 10 HKCBRM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000100510958 559136149 /nfs/dbraw/zinc/13/61/49/559136149.db2.gz SOQNTXCFJUAJLL-SMIQVMJNSA-N -1 0 405.483 5.002 40 10 HKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1Cl ZINC000100510990 560725468 /nfs/dbraw/zinc/72/54/68/560725468.db2.gz NCRHXRLKRNAQTO-IUBFCHALSA-N -1 0 409.902 5.647 40 10 HKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1Cl ZINC000100510992 560725450 /nfs/dbraw/zinc/72/54/50/560725450.db2.gz NCRHXRLKRNAQTO-FTGFMQHASA-N -1 0 409.902 5.647 40 10 HKCBRM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1 ZINC000100510995 560725440 /nfs/dbraw/zinc/72/54/40/560725440.db2.gz NHHQWOWWTINJGT-NZXNHFJFSA-N -1 0 419.510 5.392 40 10 HKCBRM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1 ZINC000100510999 560725436 /nfs/dbraw/zinc/72/54/36/560725436.db2.gz NHHQWOWWTINJGT-VQERKYHCSA-N -1 0 419.510 5.392 40 10 HKCBRM O=C([O-])COc1ccc(NN=C2C=Cc3cc(Br)ccc3C2=O)cc1 ZINC000100800690 569051934 /nfs/dbraw/zinc/05/19/34/569051934.db2.gz QCURKLGNSOCWSK-QZQOTICOSA-N -1 0 401.216 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 ZINC000101114382 559143408 /nfs/dbraw/zinc/14/34/08/559143408.db2.gz IXGVBQGFTCJTJG-VQVUOBIDSA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000101114383 559143421 /nfs/dbraw/zinc/14/34/21/559143421.db2.gz IXGVBQGFTCJTJG-FPXAXAJJSA-N -1 0 414.461 5.187 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 ZINC000101147824 559143523 /nfs/dbraw/zinc/14/35/23/559143523.db2.gz CJDVXNWSHASYPB-REJRFELZSA-N -1 0 403.909 5.933 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 ZINC000101147829 559143513 /nfs/dbraw/zinc/14/35/13/559143513.db2.gz CJDVXNWSHASYPB-SDUJRDBPSA-N -1 0 403.909 5.933 40 10 HKCBRM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 ZINC000101147830 559143547 /nfs/dbraw/zinc/14/35/47/559143547.db2.gz CJDVXNWSHASYPB-GJLLLRFJSA-N -1 0 403.909 5.933 40 10 HKCBRM CC(=Nc1cc(Cl)ccc1Cl)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000101615653 560729181 /nfs/dbraw/zinc/72/91/81/560729181.db2.gz LUCWRTJVQQFSBY-YVLHZVERSA-N -1 0 405.241 5.010 40 10 HKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000103560389 559156251 /nfs/dbraw/zinc/15/62/51/559156251.db2.gz YPKLLBOFOZWOFZ-IUBFCHALSA-N -1 0 409.902 5.647 40 10 HKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000103560397 559156253 /nfs/dbraw/zinc/15/62/53/559156253.db2.gz YPKLLBOFOZWOFZ-FTGFMQHASA-N -1 0 409.902 5.647 40 10 HKCBRM CC(=Nc1ccc(Cl)cc1Cl)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917057 560734846 /nfs/dbraw/zinc/73/48/46/560734846.db2.gz MWWSXWZDHHUGST-YVLHZVERSA-N -1 0 417.321 5.712 40 10 HKCBRM CC(=Nc1cc(Cl)cc(Cl)c1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917070 560734862 /nfs/dbraw/zinc/73/48/62/560734862.db2.gz WDRGUZWXCMHESF-YVLHZVERSA-N -1 0 417.321 5.712 40 10 HKCBRM CC(=Nc1ccc(Cl)c(F)c1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917170 560734884 /nfs/dbraw/zinc/73/48/84/560734884.db2.gz BDTVQJIUVWRUQQ-YVLHZVERSA-N -1 0 400.866 5.197 40 10 HKCBRM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1Cl ZINC000103918748 560734718 /nfs/dbraw/zinc/73/47/18/560734718.db2.gz YORPNXSGSAANFB-UYRXBGFRSA-N -1 0 410.930 5.839 40 10 HKCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(Cl)cc(Cl)c1 ZINC000103918790 560734742 /nfs/dbraw/zinc/73/47/42/560734742.db2.gz BSTZBNMZGMIECM-MOSHPQCFSA-N -1 0 418.324 5.891 40 10 HKCBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(Cl)cc(Cl)c1 ZINC000103918797 560734799 /nfs/dbraw/zinc/73/47/99/560734799.db2.gz SCJPNQAZIRMRQH-UNOMPAQXSA-N -1 0 406.288 6.021 40 10 HKCBRM CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(CC)cc1 ZINC000103918837 560734805 /nfs/dbraw/zinc/73/48/05/560734805.db2.gz JOWKCRCHYWWKNY-QNGOZBTKSA-N -1 0 404.539 5.748 40 10 HKCBRM CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc(Br)c1 ZINC000103918866 560734733 /nfs/dbraw/zinc/73/47/33/560734733.db2.gz DHGNHWTUQQMCNP-UYRXBGFRSA-N -1 0 416.294 5.477 40 10 HKCBRM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1OCC ZINC000103919002 560734871 /nfs/dbraw/zinc/73/48/71/560734871.db2.gz AZAKSEXKTAFEAM-QNGOZBTKSA-N -1 0 420.538 5.584 40 10 HKCBRM CC(=Nc1ccc(Cl)cc1Cl)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103920893 560735086 /nfs/dbraw/zinc/73/50/86/560735086.db2.gz ZCIVOJMVZMIYQA-QNGOZBTKSA-N -1 0 422.315 6.130 40 10 HKCBRM CC(=Nc1cc(Cl)cc(Cl)c1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103920913 560735154 /nfs/dbraw/zinc/73/51/54/560735154.db2.gz LKXQNULGLHINDV-QNGOZBTKSA-N -1 0 422.315 6.130 40 10 HKCBRM CC(=Nc1cc(Cl)ccc1Cl)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103920930 560735140 /nfs/dbraw/zinc/73/51/40/560735140.db2.gz ZTQYYLLXJNXDJR-QNGOZBTKSA-N -1 0 422.315 6.130 40 10 HKCBRM S=C([N-]c1ccc(N=Nc2ccccc2)cc1)SCc1ccc2c(c1)OCO2 ZINC000104198464 559158882 /nfs/dbraw/zinc/15/88/82/559158882.db2.gz YRGIKPSOMAKLBL-VHXPQNKSSA-N -1 0 407.520 6.461 40 10 HKCBRM Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1/N=N\c1ccc(C(=O)[O-])cc1 ZINC000104226651 559159193 /nfs/dbraw/zinc/15/91/93/559159193.db2.gz MZJCVPZJZVHLRV-QPLCGJKRSA-N -1 0 411.421 5.056 40 10 HKCBRM COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=CC(=O)C=C1 ZINC000104388892 559160819 /nfs/dbraw/zinc/16/08/19/559160819.db2.gz FRASVXZUWANQQU-YEUCEMRASA-N -1 0 412.427 5.478 40 10 HKCBRM COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=CC(=O)C=C1 ZINC000104388896 559160859 /nfs/dbraw/zinc/16/08/59/559160859.db2.gz FRASVXZUWANQQU-KEEJTVGESA-N -1 0 412.427 5.478 40 10 HKCBRM COc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1NN=C1C=CC(=O)C=C1 ZINC000104388902 559160831 /nfs/dbraw/zinc/16/08/31/559160831.db2.gz FRASVXZUWANQQU-JKZRTEGISA-N -1 0 412.427 5.478 40 10 HKCBRM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F ZINC000112125805 560776672 /nfs/dbraw/zinc/77/66/72/560776672.db2.gz CNIMEMSSBAUVFK-RGEXLXHISA-N -1 0 403.404 5.474 40 10 HKCBRM CC(=Nc1ccc(Cl)cc1Cl)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112125921 560776699 /nfs/dbraw/zinc/77/66/99/560776699.db2.gz UUKSAJFIWHEWQP-YVLHZVERSA-N -1 0 405.241 5.010 40 10 HKCBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112126430 560776875 /nfs/dbraw/zinc/77/68/75/560776875.db2.gz OPHPSPGDVMJZBY-UNOMPAQXSA-N -1 0 406.288 6.021 40 10 HKCBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl ZINC000112126441 560776864 /nfs/dbraw/zinc/77/68/64/560776864.db2.gz OMMLECTZGGCBJI-UNOMPAQXSA-N -1 0 406.288 6.021 40 10 HKCBRM CC(=Nc1cc(Cl)ccc1Oc1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000112286100 560777861 /nfs/dbraw/zinc/77/78/61/560777861.db2.gz ZDPZVESEGUGGLB-KQWNVCNZSA-N -1 0 417.896 6.241 40 10 HKCBRM CC(=Nc1ccccc1Sc1ccccc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000112286214 560777874 /nfs/dbraw/zinc/77/78/74/560777874.db2.gz YFDTXJKCFGTSPF-KQWNVCNZSA-N -1 0 417.509 6.086 40 10 HKCBRM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(OC)c(Cl)cc1OC ZINC000112286639 560777907 /nfs/dbraw/zinc/77/79/07/560777907.db2.gz VFGWNMKSJFMDSD-STZFKDTASA-N -1 0 413.905 5.246 40 10 HKCBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F ZINC000112289517 560778172 /nfs/dbraw/zinc/77/81/72/560778172.db2.gz JVKULLKMJFUDIG-UYRXBGFRSA-N -1 0 421.394 5.613 40 10 HKCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112291134 560778202 /nfs/dbraw/zinc/77/82/02/560778202.db2.gz KRFREALACXIODZ-MOSHPQCFSA-N -1 0 418.324 5.891 40 10 HKCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl ZINC000112291352 560778274 /nfs/dbraw/zinc/77/82/74/560778274.db2.gz UAKYZFNQZBRVDR-MOSHPQCFSA-N -1 0 418.324 5.891 40 10 HKCBRM O=C1/C(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)SC(=S)N1c1ccccc1 ZINC000113830530 560804994 /nfs/dbraw/zinc/80/49/94/560804994.db2.gz HAHCRDQTCDAFPL-WUXMJOGZSA-N -1 0 416.738 5.758 40 10 HKCBRM O=C1/C(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)SC(=S)N1C1CCCCC1 ZINC000113830669 560804986 /nfs/dbraw/zinc/80/49/86/560804986.db2.gz WZHYTOBAUYCKES-WUXMJOGZSA-N -1 0 422.786 5.886 40 10 HKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c1 ZINC000214337212 569361717 /nfs/dbraw/zinc/36/17/17/569361717.db2.gz AGIVXRKCQKDICX-YBFXNURJSA-N -1 0 423.421 5.020 40 10 HKCBRM Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000214472566 569361722 /nfs/dbraw/zinc/36/17/22/569361722.db2.gz OAMPLVYMAMPUHD-UDWIEESQSA-N -1 0 419.458 5.190 40 10 HKCBRM Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)c1 ZINC000214606291 558258397 /nfs/dbraw/zinc/25/83/97/558258397.db2.gz UHTHFIWWQWQGGV-UDWIEESQSA-N -1 0 419.458 5.190 40 10 HKCBRM O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)ccc1Cl ZINC000223251056 568542545 /nfs/dbraw/zinc/54/25/45/568542545.db2.gz GBDGTCCJGYNJRY-UHFFFAOYSA-N -1 0 419.742 5.571 40 10 HKCBRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000223263025 568543212 /nfs/dbraw/zinc/54/32/12/568543212.db2.gz CSGYMKWDVYALAW-UHFFFAOYSA-N -1 0 422.959 5.396 40 10 HKCBRM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000223648680 568554920 /nfs/dbraw/zinc/55/49/20/568554920.db2.gz FPJVFLOGAJPJJM-UHFFFAOYSA-N -1 0 406.290 5.025 40 10 HKCBRM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534362 558475984 /nfs/dbraw/zinc/47/59/84/558475984.db2.gz QQFAEIVTERSOSV-GDNBJRDFSA-N -1 0 404.695 5.129 40 10 HKCBRM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534479 558476102 /nfs/dbraw/zinc/47/61/02/558476102.db2.gz QYGPOXKPIOYFBG-GDNBJRDFSA-N -1 0 404.695 5.129 40 10 HKCBRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534996 558476508 /nfs/dbraw/zinc/47/65/08/558476508.db2.gz XBKNQLZSJITGEO-GDNBJRDFSA-N -1 0 418.722 5.438 40 10 HKCBRM Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408536353 558477646 /nfs/dbraw/zinc/47/76/46/558477646.db2.gz WFSPLOZMSQRTLD-MOSHPQCFSA-N -1 0 419.916 5.169 40 10 HKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(F)cc1F ZINC000408537271 558482126 /nfs/dbraw/zinc/48/21/26/558482126.db2.gz ZTVWLTZTQAMJLJ-ZROIWOOFSA-N -1 0 420.257 5.063 40 10 HKCBRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408603778 557524559 /nfs/dbraw/zinc/52/45/59/557524559.db2.gz FYVZBIFZVLJPMY-UHFFFAOYSA-N -1 0 417.939 5.094 40 10 HKCBRM Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])o1 ZINC000408632081 557569712 /nfs/dbraw/zinc/56/97/12/557569712.db2.gz NDOAOWCZGZNYRW-APSNUPSMSA-N -1 0 424.309 5.310 40 10 HKCBRM CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])o1 ZINC000408632797 557574780 /nfs/dbraw/zinc/57/47/80/557574780.db2.gz STGPUGUQKRKFJU-PXNMLYILSA-N -1 0 421.881 5.050 40 10 HKCBRM Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000408632927 558547381 /nfs/dbraw/zinc/54/73/81/558547381.db2.gz HQVUDCHNLCSRAE-NDENLUEZSA-N -1 0 423.925 5.842 40 10 HKCBRM Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000408632949 558547414 /nfs/dbraw/zinc/54/74/14/558547414.db2.gz HYQFSCYEXYHCGW-NDENLUEZSA-N -1 0 424.909 6.107 40 10 HKCBRM Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)[O-])cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736162 557802528 /nfs/dbraw/zinc/80/25/28/557802528.db2.gz IZRFAQHTCSTYGC-UMFSSWHCSA-N -1 0 411.501 6.099 40 10 HKCBRM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 ZINC000408736661 558595368 /nfs/dbraw/zinc/59/53/68/558595368.db2.gz ZOSGEURZLVTGIA-DPLHUUCSSA-N -1 0 411.457 5.431 40 10 HKCBRM Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)O2)cc1 ZINC000408741238 558599693 /nfs/dbraw/zinc/59/96/93/558599693.db2.gz HRFJPZNBMIXSLE-YBEGLDIGSA-N -1 0 406.821 5.588 40 10 HKCBRM COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)O2)cc1 ZINC000408741378 558599906 /nfs/dbraw/zinc/59/99/06/558599906.db2.gz IMDFFLNIFRUULA-GDNBJRDFSA-N -1 0 422.820 5.288 40 10 HKCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2Cl)c1 ZINC000408754594 558612206 /nfs/dbraw/zinc/61/22/06/558612206.db2.gz RJJNWOUBSOPONX-KGENOOAVSA-N -1 0 416.864 5.181 40 10 HKCBRM Cc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408754701 558612386 /nfs/dbraw/zinc/61/23/86/558612386.db2.gz LGKNBVCGEQXJKF-KGENOOAVSA-N -1 0 416.864 5.181 40 10 HKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408757271 558614122 /nfs/dbraw/zinc/61/41/22/558614122.db2.gz XCERUISBJDBQJA-KGENOOAVSA-N -1 0 416.864 5.181 40 10 HKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408757628 558614297 /nfs/dbraw/zinc/61/42/97/558614297.db2.gz AYTREVKCXQJORJ-DEDYPNTBSA-N -1 0 420.827 5.012 40 10 HKCBRM Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[n-]n(-c2cccc3ccccc32)c1=O ZINC000408758047 558826334 /nfs/dbraw/zinc/82/63/34/558826334.db2.gz USIJATFKTMKMJV-KQWNVCNZSA-N -1 0 421.504 5.361 40 10 HKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408759238 559274416 /nfs/dbraw/zinc/27/44/16/559274416.db2.gz AIZWRIUMZRJNRU-DEDYPNTBSA-N -1 0 420.827 5.012 40 10 HKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408759558 559275686 /nfs/dbraw/zinc/27/56/86/559275686.db2.gz HBVHFPXRZCJXDJ-DEDYPNTBSA-N -1 0 420.827 5.012 40 10 HKCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccc(Cl)cc2)c1 ZINC000408762891 558619597 /nfs/dbraw/zinc/61/95/97/558619597.db2.gz LQPKIEZMPMMDIL-KGENOOAVSA-N -1 0 416.864 5.181 40 10 HKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2Cl)cc1 ZINC000408764620 558622386 /nfs/dbraw/zinc/62/23/86/558622386.db2.gz UZDFFTFOFXAPJT-KGENOOAVSA-N -1 0 416.864 5.181 40 10 HKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408764899 558622504 /nfs/dbraw/zinc/62/25/04/558622504.db2.gz NQZYVTWMFNUADQ-DEDYPNTBSA-N -1 0 420.827 5.012 40 10 HKCBRM Cc1cccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408765301 558624579 /nfs/dbraw/zinc/62/45/79/558624579.db2.gz OWYIXBXJGMHZCE-KGENOOAVSA-N -1 0 416.864 5.181 40 10 HKCBRM COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3[S-])C2=O)cc1 ZINC000408767570 558627049 /nfs/dbraw/zinc/62/70/49/558627049.db2.gz YPEMKDNBYODHAF-JXAWBTAJSA-N -1 0 419.933 6.109 40 10 HKCBRM Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2[S-])cc1 ZINC000408779577 560640916 /nfs/dbraw/zinc/64/09/16/560640916.db2.gz GBEUVEGPDINQFW-XMHGGMMESA-N -1 0 414.486 5.663 40 10 HKCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000408812331 558649012 /nfs/dbraw/zinc/64/90/12/558649012.db2.gz ONMHNXQSRROTBF-UNOMPAQXSA-N -1 0 405.431 5.194 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000408828989 560645733 /nfs/dbraw/zinc/64/57/33/560645733.db2.gz NPQHTVMDIHVFRS-BWACUDIHSA-N -1 0 405.237 5.426 40 10 HKCBRM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000408845073 558675157 /nfs/dbraw/zinc/67/51/57/558675157.db2.gz XYDLCLMUIRTJPR-YZIHRLCOSA-N -1 0 411.501 6.099 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408863411 560648241 /nfs/dbraw/zinc/64/82/41/560648241.db2.gz NXHBRKZKQAKLHE-UWVAXJGDSA-N -1 0 413.926 5.359 40 10 HKCBRM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408864520 558702766 /nfs/dbraw/zinc/70/27/66/558702766.db2.gz WSSJQALBDNVYBD-UMFSSWHCSA-N -1 0 411.501 6.099 40 10 HKCBRM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408864561 558702781 /nfs/dbraw/zinc/70/27/81/558702781.db2.gz XMVZEDQQUORVLA-WLENULPWSA-N -1 0 401.893 6.117 40 10 HKCBRM COc1ccc(Br)cc1[C@@H]1Nc2c(C)c(C(=O)[O-])ccc2[C@@H]2C=CC[C@@H]21 ZINC000408875939 560649362 /nfs/dbraw/zinc/64/93/62/560649362.db2.gz IABUIYYQKUHTIK-QEEYODRMSA-N -1 0 414.299 5.291 40 10 HKCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000408901457 558724623 /nfs/dbraw/zinc/72/46/23/558724623.db2.gz FJBTYMOSNCGQEI-XDHOZWIPSA-N -1 0 421.499 5.359 40 10 HKCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000408901616 560651516 /nfs/dbraw/zinc/65/15/16/560651516.db2.gz GVONUPAKZGTSTN-XDHOZWIPSA-N -1 0 421.499 5.359 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000408901814 558724805 /nfs/dbraw/zinc/72/48/05/558724805.db2.gz HITOOMIMJSILGQ-XDHOZWIPSA-N -1 0 421.499 5.359 40 10 HKCBRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1 ZINC000408941273 560656262 /nfs/dbraw/zinc/65/62/62/560656262.db2.gz DLGJMCYDBJNPAD-UHFFFAOYSA-N -1 0 417.892 6.607 40 10 HKCBRM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408942541 558754942 /nfs/dbraw/zinc/75/49/42/558754942.db2.gz GDYLYRJLGIIKNT-UHFFFAOYSA-N -1 0 413.473 5.962 40 10 HKCBRM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408943497 558754736 /nfs/dbraw/zinc/75/47/36/558754736.db2.gz HQGBKRNWERQBON-UHFFFAOYSA-N -1 0 423.818 5.842 40 10 HKCBRM Cc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000408945149 558754939 /nfs/dbraw/zinc/75/49/39/558754939.db2.gz KHEQJQWDYAPFBT-UHFFFAOYSA-N -1 0 418.718 5.886 40 10 HKCBRM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000408945407 560656498 /nfs/dbraw/zinc/65/64/98/560656498.db2.gz KPQNTQFKAOJPLB-UHFFFAOYSA-N -1 0 404.691 5.577 40 10 HKCBRM Cc1c(Cl)cccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000408945963 560656496 /nfs/dbraw/zinc/65/64/96/560656496.db2.gz LYSSTZSTTJGNPP-UHFFFAOYSA-N -1 0 418.718 5.886 40 10 HKCBRM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408947558 560656948 /nfs/dbraw/zinc/65/69/48/560656948.db2.gz NYGWZLGFNAXQRU-UHFFFAOYSA-N -1 0 411.782 5.973 40 10 HKCBRM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc2ccccc2c1 ZINC000408948666 560657090 /nfs/dbraw/zinc/65/70/90/560657090.db2.gz PRVVYXYCRNQOFW-UHFFFAOYSA-N -1 0 420.306 6.077 40 10 HKCBRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408949057 560657109 /nfs/dbraw/zinc/65/71/09/560657109.db2.gz QHOOHCHBQMTWQZ-UHFFFAOYSA-N -1 0 407.819 6.142 40 10 HKCBRM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1Cl ZINC000408949112 558756421 /nfs/dbraw/zinc/75/64/21/558756421.db2.gz QLWIAPPVSBHBKP-UHFFFAOYSA-N -1 0 418.718 5.886 40 10 HKCBRM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(Oc2ccccc2)cc1 ZINC000408949178 558756230 /nfs/dbraw/zinc/75/62/30/558756230.db2.gz QOYZWBRYRKDDBU-UHFFFAOYSA-N -1 0 401.437 6.093 40 10 HKCBRM CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000408950356 560656709 /nfs/dbraw/zinc/65/67/09/560656709.db2.gz SDRPOAODXIATRK-UHFFFAOYSA-N -1 0 414.299 5.323 40 10 HKCBRM Cc1cc(Cl)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000408952107 560657170 /nfs/dbraw/zinc/65/71/70/560657170.db2.gz VJJLWFFTERQJRT-UHFFFAOYSA-N -1 0 418.718 5.886 40 10 HKCBRM O=C1/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(C(F)(F)F)=NN1c1ccccc1 ZINC000408963598 558772577 /nfs/dbraw/zinc/77/25/77/558772577.db2.gz HDTNMXDIJYBLIT-GHXNOFRVSA-N -1 0 401.171 5.048 40 10 HKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000408983299 558834737 /nfs/dbraw/zinc/83/47/37/558834737.db2.gz AMOUUDCGDWCILM-RCCKNPSSSA-N -1 0 411.457 5.255 40 10 HKCBRM O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1[S-] ZINC000408983477 558835011 /nfs/dbraw/zinc/83/50/11/558835011.db2.gz CAIUTBWNFWEBQR-SFQUDFHCSA-N -1 0 424.352 6.753 40 10 HKCBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408983733 558835619 /nfs/dbraw/zinc/83/56/19/558835619.db2.gz CCFCEKSJESXEEN-XMHGGMMESA-N -1 0 401.849 5.510 40 10 HKCBRM Cc1cc(C(=O)[O-])ccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408983825 558835656 /nfs/dbraw/zinc/83/56/56/558835656.db2.gz DCTRITMAAVWOAT-XSFVSMFZSA-N -1 0 415.876 5.818 40 10 HKCBRM Cc1c(C(=O)[O-])cccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408983875 560661224 /nfs/dbraw/zinc/66/12/24/560661224.db2.gz DSLLYJRDQZQVGR-XMHGGMMESA-N -1 0 415.876 5.818 40 10 HKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000408984134 558836135 /nfs/dbraw/zinc/83/61/35/558836135.db2.gz HZYJBDXENYRZRE-JLPGSUDCSA-N -1 0 420.468 5.222 40 10 HKCBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1O ZINC000408985016 560661467 /nfs/dbraw/zinc/66/14/67/560661467.db2.gz KIUFUUOOGMIANP-SFQUDFHCSA-N -1 0 417.848 5.215 40 10 HKCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408985018 558836988 /nfs/dbraw/zinc/83/69/88/558836988.db2.gz KJJXHLNPTHPTNZ-DEDYPNTBSA-N -1 0 415.876 5.818 40 10 HKCBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408985022 558837074 /nfs/dbraw/zinc/83/70/74/558837074.db2.gz KKNPUXOBYMXODA-KGENOOAVSA-N -1 0 415.876 5.505 40 10 HKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408987006 558838345 /nfs/dbraw/zinc/83/83/45/558838345.db2.gz UIYPTWQAOKXZCI-CPNJWEJPSA-N -1 0 401.849 5.510 40 10 HKCBRM O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cc([N+](=O)[O-])ccc1[O-] ZINC000408987018 560661759 /nfs/dbraw/zinc/66/17/59/560661759.db2.gz UPNFCZYOZQBWAX-SFQUDFHCSA-N -1 0 418.836 5.425 40 10 HKCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000408999486 560663566 /nfs/dbraw/zinc/66/35/66/560663566.db2.gz CZWFHDKKEHKRHR-NXVVXOECSA-N -1 0 413.321 5.356 40 10 HKCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000409000084 560663702 /nfs/dbraw/zinc/66/37/02/560663702.db2.gz DOSHVCZRAZAFBR-NXVVXOECSA-N -1 0 414.214 5.644 40 10 HKCBRM CCCOc1ccc(N=C(c2c(C)[n-]n(-c3ccccc3)c2=O)C(F)(F)F)cc1 ZINC000409001576 558854985 /nfs/dbraw/zinc/85/49/85/558854985.db2.gz JELCEPFFODSQCU-HNENSFHCSA-N -1 0 403.404 5.126 40 10 HKCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000409002023 558855926 /nfs/dbraw/zinc/85/59/26/558855926.db2.gz LQHUMRJXXCKLRR-NXVVXOECSA-N -1 0 413.321 5.356 40 10 HKCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1cccc(Cl)c1Cl)C(F)(F)F ZINC000409002616 560664183 /nfs/dbraw/zinc/66/41/83/560664183.db2.gz ORKGJGCAYAJHDA-PEZBUJJGSA-N -1 0 414.214 5.644 40 10 HKCBRM CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000409009024 558857576 /nfs/dbraw/zinc/85/75/76/558857576.db2.gz BEPBCFVEHKGNAH-MQHRVFIMSA-N -1 0 405.859 5.133 40 10 HKCBRM CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000409009027 560665838 /nfs/dbraw/zinc/66/58/38/560665838.db2.gz BEPBCFVEHKGNAH-XBTXGSBDSA-N -1 0 405.859 5.133 40 10 HKCBRM Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1 ZINC000409050809 558895866 /nfs/dbraw/zinc/89/58/66/558895866.db2.gz AAJJAUBNNPZRRS-NVNXTCNLSA-N -1 0 410.347 5.409 40 10 HKCBRM O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000409079982 558926878 /nfs/dbraw/zinc/92/68/78/558926878.db2.gz HEUWKQIAASFNSE-BOPFTXTBSA-N -1 0 409.272 5.534 40 10 HKCBRM O=C1/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(c2ccccc2)=NN1c1ccccc1 ZINC000409080539 558928001 /nfs/dbraw/zinc/92/80/01/558928001.db2.gz IKXMVCSIDKYMOR-PDGQHHTCSA-N -1 0 409.272 5.534 40 10 HKCBRM CC(C)n1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000409086192 560674772 /nfs/dbraw/zinc/67/47/72/560674772.db2.gz GJDYOOHGVJQIKT-YBFXNURJSA-N -1 0 422.531 5.326 40 10 HKCBRM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)ccc1O ZINC000409098404 558932051 /nfs/dbraw/zinc/93/20/51/558932051.db2.gz QGCSDQCYKBWWCI-UHFFFAOYSA-N -1 0 420.690 5.283 40 10 HKCBRM CCCn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000409100461 558933075 /nfs/dbraw/zinc/93/30/75/558933075.db2.gz NQRBERKEOUEEEC-XDHOZWIPSA-N -1 0 422.531 5.155 40 10 HKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(CC4CCCCC4)C3=O)o2)c1 ZINC000409144151 558890485 /nfs/dbraw/zinc/89/04/85/558890485.db2.gz NIMDOVIIXPFQDD-UNOMPAQXSA-N -1 0 411.479 5.261 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409155973 560685354 /nfs/dbraw/zinc/68/53/54/560685354.db2.gz SGWYCMVNGVUJSQ-AGKHESDQSA-N -1 0 405.237 5.426 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409155975 560685350 /nfs/dbraw/zinc/68/53/50/560685350.db2.gz SGWYCMVNGVUJSQ-CZIZLABSSA-N -1 0 405.237 5.426 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409155977 560685353 /nfs/dbraw/zinc/68/53/53/560685353.db2.gz SGWYCMVNGVUJSQ-RLFDGXBXSA-N -1 0 405.237 5.426 40 10 HKCBRM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409155979 558896256 /nfs/dbraw/zinc/89/62/56/558896256.db2.gz SGWYCMVNGVUJSQ-VGTOOOLASA-N -1 0 405.237 5.426 40 10 HKCBRM COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)[O-])c2[C@@H]2C=CC[C@H]21 ZINC000409158306 560684864 /nfs/dbraw/zinc/68/48/64/560684864.db2.gz SMGIXUZTDDKXHN-ARGWCVDVSA-N -1 0 414.299 5.291 40 10 HKCBRM COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)[O-])c2[C@@H]2C=CC[C@@H]21 ZINC000409158313 558913940 /nfs/dbraw/zinc/91/39/40/558913940.db2.gz SMGIXUZTDDKXHN-LAPQFRIASA-N -1 0 414.299 5.291 40 10 HKCBRM Cc1nnc(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])[nH]1 ZINC000409187916 560688028 /nfs/dbraw/zinc/68/80/28/560688028.db2.gz DEHODKHWXRGXAS-APSNUPSMSA-N -1 0 423.325 5.045 40 10 HKCBRM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)c2ccccc21 ZINC000409195532 560690264 /nfs/dbraw/zinc/69/02/64/560690264.db2.gz QNUACFSAZZDAAZ-XDHOZWIPSA-N -1 0 420.896 5.353 40 10 HKCBRM O=C([O-])c1ccccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000409203806 559017444 /nfs/dbraw/zinc/01/74/44/559017444.db2.gz YXKUMBRHJANMMB-LDADJPATSA-N -1 0 413.520 5.179 40 10 HKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1 ZINC000409344367 560712138 /nfs/dbraw/zinc/71/21/38/560712138.db2.gz JEOZSPJTCAOXPQ-RIYZIHGNSA-N -1 0 412.319 5.113 40 10 HKCBRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2cc(C)ccc2C(C)C)cc1 ZINC000409370345 559069999 /nfs/dbraw/zinc/06/99/99/559069999.db2.gz PGEKVUXVTIIQRZ-UHFFFAOYSA-N -1 0 405.538 5.992 40 10 HKCBRM COc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000409376541 560716331 /nfs/dbraw/zinc/71/63/31/560716331.db2.gz ZBRDKOOXIJBOIH-UHFFFAOYSA-N -1 0 421.537 5.557 40 10 HKCBRM