smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000044850510 526980088 /nfs/dbraw/zinc/98/00/88/526980088.db2.gz MCUFUZVSXHXUHE-UHFFFAOYSA-N -1 3 419.717 4.574 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccccc1 ZINC000408554081 557451168 /nfs/dbraw/zinc/45/11/68/557451168.db2.gz BLEOSGFCHNTZQL-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557080 557453776 /nfs/dbraw/zinc/45/37/76/557453776.db2.gz KVAYYGTYNGMVTP-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000408584045 557483807 /nfs/dbraw/zinc/48/38/07/557483807.db2.gz LGZUWUOXCMOTEB-UHFFFAOYSA-N -1 3 401.532 4.512 40 0 HJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)OCC)c2)cc1 ZINC000408585059 557488229 /nfs/dbraw/zinc/48/82/29/557488229.db2.gz BJIAVADUUADLPZ-UHFFFAOYSA-N -1 3 420.531 4.797 40 0 HJABHM COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1[O-] ZINC000408610659 557533984 /nfs/dbraw/zinc/53/39/84/557533984.db2.gz RAKGNXTZXLAAKW-UHFFFAOYSA-N -1 3 424.065 4.924 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000020034632 558324673 /nfs/dbraw/zinc/32/46/73/558324673.db2.gz PDWAFAJFKBHTOX-UHFFFAOYSA-N -1 3 416.886 4.756 40 0 HJABHM O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030853417 558740434 /nfs/dbraw/zinc/74/04/34/558740434.db2.gz IGBZAOHIEWLPAR-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015796513 558753483 /nfs/dbraw/zinc/75/34/83/558753483.db2.gz IBSWDPDRJGXHIB-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM COc1cc([C@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035323530 558790313 /nfs/dbraw/zinc/79/03/13/558790313.db2.gz GNUUWQTWNIOKHE-DEOSSOPVSA-N -1 3 411.461 4.849 40 0 HJABHM COc1cc([C@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035323530 558790315 /nfs/dbraw/zinc/79/03/15/558790315.db2.gz GNUUWQTWNIOKHE-DEOSSOPVSA-N -1 3 411.461 4.849 40 0 HJABHM Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017092657 558821153 /nfs/dbraw/zinc/82/11/53/558821153.db2.gz CJQIEPPSLAIMLD-UHFFFAOYSA-N -1 3 421.453 4.775 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C)c1 ZINC000013750999 558864024 /nfs/dbraw/zinc/86/40/24/558864024.db2.gz GGXVKOKJHJWILE-HJNYFJLDSA-N -1 3 418.518 4.724 40 0 HJABHM CCn1ncc(-c2cc(C(=O)[N-]c3nc(-c4cc(C)sc4C)cs3)on2)c1C ZINC000019719071 558982760 /nfs/dbraw/zinc/98/27/60/558982760.db2.gz RLMXOCYJMGOYMM-UHFFFAOYSA-N -1 3 413.528 4.921 40 0 HJABHM CC(C)(C)c1ccc(CSc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)cc1 ZINC000001329752 560573932 /nfs/dbraw/zinc/57/39/32/560573932.db2.gz JWIXIGGLEDFJAO-UHFFFAOYSA-N -1 3 417.556 4.698 40 0 HJABHM Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1 ZINC000408801087 560642493 /nfs/dbraw/zinc/64/24/93/560642493.db2.gz SNUSBVMHKGMYDX-UHFFFAOYSA-N -1 3 424.727 4.880 40 0 HJABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409180974 560688379 /nfs/dbraw/zinc/68/83/79/560688379.db2.gz ZZUGGGKNUPOPFQ-QGZVFWFLSA-N -1 3 422.900 4.993 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc(C)c1[O-])N2 ZINC000409364585 560715239 /nfs/dbraw/zinc/71/52/39/560715239.db2.gz XPWWXZDDODFYTR-AFBRZQFHSA-N -1 3 412.452 4.616 40 0 HJABHM CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102735276 560731669 /nfs/dbraw/zinc/73/16/69/560731669.db2.gz HKJYIXSCILEBFO-IPMKNSEASA-N -1 3 419.308 4.862 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000006213829 560740310 /nfs/dbraw/zinc/74/03/10/560740310.db2.gz MFUWLRKQMDSEPB-UHFFFAOYSA-N -1 3 424.566 4.850 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1F)c1ccc(F)cc1 ZINC000008810832 560756668 /nfs/dbraw/zinc/75/66/68/560756668.db2.gz UGVMVQDZIHVKKA-UHFFFAOYSA-N -1 3 422.840 4.671 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3[O-])oc2c1 ZINC000017092661 560867210 /nfs/dbraw/zinc/86/72/10/560867210.db2.gz BIJQFAXOSLUBPF-UHFFFAOYSA-N -1 3 421.453 4.775 40 0 HJABHM Cc1cc2nc(-c3cc(NC(N)=S)cc(C)c3[O-])oc2c(Br)c1C ZINC000020156917 560876149 /nfs/dbraw/zinc/87/61/49/560876149.db2.gz GRWVIMMOTKTAIA-UHFFFAOYSA-N -1 3 406.305 4.544 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Cl)N2 ZINC000409099843 568417604 /nfs/dbraw/zinc/41/76/04/568417604.db2.gz ULEYWXZFJATTEP-AEDCBLDQSA-N -1 3 402.844 4.865 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000005093323 568433221 /nfs/dbraw/zinc/43/32/21/568433221.db2.gz TXMYRMUHOJDGJQ-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 ZINC000020765619 568458849 /nfs/dbraw/zinc/45/88/49/568458849.db2.gz QWQXJPLWUYBUDO-UHFFFAOYSA-N -1 3 420.534 4.697 40 0 HJABHM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc([O-])c(Br)c3)N21 ZINC000222665765 568522797 /nfs/dbraw/zinc/52/27/97/568522797.db2.gz IHYPZFSBNFQPAP-CSMYWGQOSA-N -1 3 404.333 4.529 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)cc1 ZINC000224057100 568568023 /nfs/dbraw/zinc/56/80/23/568568023.db2.gz ABHGBLFEIHWUFK-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224621035 568588615 /nfs/dbraw/zinc/58/86/15/568588615.db2.gz DWDJREMLMBORBV-FCHUYYIVSA-N -1 3 404.539 4.881 40 0 HJABHM Cc1ccc2c(c1)OC1(CCN(Cc3ccc(C(=O)[O-])cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257234431 568785851 /nfs/dbraw/zinc/78/58/51/568785851.db2.gz GTNCVCSWCCHTFR-JTHBVZDNSA-N -1 3 407.510 4.588 40 0 HJABHM Cc1cc(NC(=S)NC(=O)c2cccc3ccccc32)cc(Br)c1[O-] ZINC000226243632 569278851 /nfs/dbraw/zinc/27/88/51/569278851.db2.gz NZJYKCDXCMFRPS-UHFFFAOYSA-N -1 3 415.312 4.743 40 0 HJABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(C)cc3)sc2c1 ZINC000032119101 571306920 /nfs/dbraw/zinc/30/69/20/571306920.db2.gz JSPFTKOFKBGFQH-UHFFFAOYSA-N -1 3 413.568 4.839 40 0 HJABHM O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1[O-] ZINC000408598846 557509385 /nfs/dbraw/zinc/50/93/85/557509385.db2.gz BURNMWGNGZDUEA-UHFFFAOYSA-N -1 3 414.490 4.642 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cc(C)ccc3C)cc2)cc1 ZINC000020047969 558327800 /nfs/dbraw/zinc/32/78/00/558327800.db2.gz BLXYIWNUFFGTFT-UHFFFAOYSA-N -1 3 408.523 4.594 40 0 HJABHM CCOc1ccc(-c2cc([N-]C(=O)c3noc4c3C[C@H](C)CC4)on2)cc1OCC ZINC000020177422 558344058 /nfs/dbraw/zinc/34/40/58/558344058.db2.gz DGAMGJCSENWYLO-CYBMUJFWSA-N -1 3 411.458 4.504 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000013674151 558563663 /nfs/dbraw/zinc/56/36/63/558563663.db2.gz LYTVYSAJFLBGPE-UHFFFAOYSA-N -1 3 408.734 4.567 40 0 HJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000014004477 558612672 /nfs/dbraw/zinc/61/26/72/558612672.db2.gz VOWJNYDTWQMALZ-GOSISDBHSA-N -1 3 424.522 4.510 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c(C)c1 ZINC000014004412 558612757 /nfs/dbraw/zinc/61/27/57/558612757.db2.gz RQFACXHXYTYKKR-GOSISDBHSA-N -1 3 424.522 4.510 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1C ZINC000014004400 558612774 /nfs/dbraw/zinc/61/27/74/558612774.db2.gz HIIXHZBWKXXKQB-SFHVURJKSA-N -1 3 424.522 4.510 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000101030022 558825388 /nfs/dbraw/zinc/82/53/88/558825388.db2.gz BSNNENDIYSJYIY-ZCNNSNEGSA-N -1 3 424.909 4.761 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013750934 558864043 /nfs/dbraw/zinc/86/40/43/558864043.db2.gz MUTCSHDRYWFKDV-SDHOMARFSA-N -1 3 420.468 4.891 40 0 HJABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000408957673 560657975 /nfs/dbraw/zinc/65/79/75/560657975.db2.gz VLIXYDRAWORKIN-SFHVURJKSA-N -1 3 420.859 4.837 40 0 HJABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409057136 560670508 /nfs/dbraw/zinc/67/05/08/560670508.db2.gz IUICRTWDGCNVTC-YMTYPPQLSA-N -1 3 402.416 4.853 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(Cl)c1[O-] ZINC000409054767 560671365 /nfs/dbraw/zinc/67/13/65/560671365.db2.gz BNOBPUQKHNQFME-YBEGLDIGSA-N -1 3 405.859 4.694 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Cl)N2 ZINC000409100205 560676942 /nfs/dbraw/zinc/67/69/42/560676942.db2.gz ULEYWXZFJATTEP-YNKQFZHNSA-N -1 3 402.844 4.865 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCCc1ccccc1)N2 ZINC000409108632 560678901 /nfs/dbraw/zinc/67/89/01/560678901.db2.gz XUPYUGIJLWHZTA-LZJOCLMNSA-N -1 3 410.480 4.921 40 0 HJABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102736300 560731657 /nfs/dbraw/zinc/73/16/57/560731657.db2.gz XMMKDNVRLXROGB-XUFNMVPLSA-N -1 3 410.489 4.721 40 0 HJABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102736293 560731794 /nfs/dbraw/zinc/73/17/94/560731794.db2.gz XMMKDNVRLXROGB-ZINXYGQCSA-N -1 3 410.489 4.721 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c(C)c1 ZINC000012493073 560781220 /nfs/dbraw/zinc/78/12/20/560781220.db2.gz JDETXFMDMBVZTG-MKMNVTDBSA-N -1 3 424.497 4.895 40 0 HJABHM CCCCCCc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000014606942 560846742 /nfs/dbraw/zinc/84/67/42/560846742.db2.gz DZIRGFXHZHGWOG-UHFFFAOYSA-N -1 3 422.495 4.547 40 0 HJABHM CC(C)c1ccc(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016575945 560861080 /nfs/dbraw/zinc/86/10/80/560861080.db2.gz WNLHVKURFGMVRU-UHFFFAOYSA-N -1 3 419.959 4.965 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl ZINC000216239019 568463686 /nfs/dbraw/zinc/46/36/86/568463686.db2.gz YKYUTNWHULYKLW-UHFFFAOYSA-N -1 3 416.886 4.756 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1Cl ZINC000224525192 568583604 /nfs/dbraw/zinc/58/36/04/568583604.db2.gz WMDGAOCVMWPTHQ-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(C)C ZINC000224895736 568602865 /nfs/dbraw/zinc/60/28/65/568602865.db2.gz FSFHXPXTJMXVMB-UHFFFAOYSA-N -1 3 403.422 4.826 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100122155 569012044 /nfs/dbraw/zinc/01/20/44/569012044.db2.gz UATSXNGJSNRLHJ-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000107864183 569353065 /nfs/dbraw/zinc/35/30/65/569353065.db2.gz KEHIXNOYHZFQGC-UXHICEINSA-N -1 3 422.333 4.747 40 0 HJABHM CC1CCN(CCC(=O)C[C@H](c2ccccc2)c2c([O-])c3ccccc3oc2=O)CC1 ZINC000031841659 521001577 /nfs/dbraw/zinc/00/15/77/521001577.db2.gz KVSDYLTUWJAGOT-JOCHJYFZSA-N -1 3 419.521 4.712 40 0 HJABHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1C ZINC000408624458 557553858 /nfs/dbraw/zinc/55/38/58/557553858.db2.gz QHRGTNOEIIVUMA-UHFFFAOYSA-N -1 3 424.522 4.728 40 0 HJABHM CSc1nc2sc(C(=O)[N-]c3c(F)cccc3F)cc2c(N2CCCCC2)n1 ZINC000408635489 557601126 /nfs/dbraw/zinc/60/11/26/557601126.db2.gz CCQZRDQKFOOPSF-UHFFFAOYSA-N -1 3 420.510 4.934 40 0 HJABHM O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006406241 557701550 /nfs/dbraw/zinc/70/15/50/557701550.db2.gz SASTZHQKKZTNQS-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM Cc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000006614241 557710358 /nfs/dbraw/zinc/71/03/58/557710358.db2.gz BTAXHUVANAPRCH-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1 ZINC000020029953 558323878 /nfs/dbraw/zinc/32/38/78/558323878.db2.gz UWBLRSHQFHMQOM-NSHDSACASA-N -1 3 418.740 4.541 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100984831 558824535 /nfs/dbraw/zinc/82/45/35/558824535.db2.gz LWGQZJYYCUEDKM-DSITVLBTSA-N -1 3 420.468 4.891 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101028597 558825260 /nfs/dbraw/zinc/82/52/60/558825260.db2.gz TXMYRMUHOJDGJQ-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2Cl)cc1Cl ZINC000054363188 558867860 /nfs/dbraw/zinc/86/78/60/558867860.db2.gz CZIOAKIUIAHGFQ-UHFFFAOYSA-N -1 3 409.132 4.543 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)c1 ZINC000100626368 559137065 /nfs/dbraw/zinc/13/70/65/559137065.db2.gz FNZHQOGUUKMVSU-UFYCRDLUSA-N -1 3 424.909 4.761 40 0 HJABHM COc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CCCCC3)cc1 ZINC000001081677 560555745 /nfs/dbraw/zinc/55/57/45/560555745.db2.gz WVBABUTYBTWKQB-UHFFFAOYSA-N -1 3 412.433 4.779 40 0 HJABHM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409411075 560721439 /nfs/dbraw/zinc/72/14/39/560721439.db2.gz TYRWBXDERGEDCJ-GIDUJCDVSA-N -1 3 410.470 4.587 40 0 HJABHM O=c1[n-]c(N2CCc3ccccc3C2)nc2c1[C@H](c1ccccc1)C1=C(CCCC1)N2 ZINC000008017813 560753024 /nfs/dbraw/zinc/75/30/24/560753024.db2.gz BFJDUCMIWMPWPB-JOCHJYFZSA-N -1 3 410.521 4.718 40 0 HJABHM O=c1[n-]c(N2CCc3ccccc3C2)nc2c1[C@H](c1ccccc1)C1CCCCC1=N2 ZINC000008017813 560753025 /nfs/dbraw/zinc/75/30/25/560753025.db2.gz BFJDUCMIWMPWPB-JOCHJYFZSA-N -1 3 410.521 4.718 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766744 568459015 /nfs/dbraw/zinc/45/90/15/568459015.db2.gz ABRRIZJGQAYWAH-UHFFFAOYSA-N -1 3 424.497 4.528 40 0 HJABHM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000223962387 568564693 /nfs/dbraw/zinc/56/46/93/568564693.db2.gz CIKWXFPILHABHS-FQEVSTJZSA-N -1 3 412.486 4.508 40 0 HJABHM CCc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224057249 568568010 /nfs/dbraw/zinc/56/80/10/568568010.db2.gz HWELOFVOJWSIAA-UHFFFAOYSA-N -1 3 424.522 4.619 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)cc1 ZINC000224056859 568568081 /nfs/dbraw/zinc/56/80/81/568568081.db2.gz ROQUHZOQAIRTRT-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000224397059 568580252 /nfs/dbraw/zinc/58/02/52/568580252.db2.gz OENQOAVQGWSNKX-UHFFFAOYSA-N -1 3 414.870 4.863 40 0 HJABHM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224541668 568584263 /nfs/dbraw/zinc/58/42/63/568584263.db2.gz LMCCRVZRDKGSRU-UHFFFAOYSA-N -1 3 416.499 4.601 40 0 HJABHM CSc1ccccc1[N-]C(=O)c1cc2c(nc(SC)nc2N2CCCC2)s1 ZINC000007604297 569337905 /nfs/dbraw/zinc/33/79/05/569337905.db2.gz RQGHZORBYKIFAC-UHFFFAOYSA-N -1 3 416.597 4.988 40 0 HJABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1C ZINC000408612120 557530133 /nfs/dbraw/zinc/53/01/33/557530133.db2.gz YMWHUYHYYTZTRK-UHFFFAOYSA-N -1 3 421.733 4.506 40 0 HJABHM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(C)c3)ccc21 ZINC000010112997 557855883 /nfs/dbraw/zinc/85/58/83/557855883.db2.gz ZGGUNWGGBYNAOS-UHFFFAOYSA-N -1 3 421.522 4.747 40 0 HJABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Br)c1 ZINC000020029964 558323852 /nfs/dbraw/zinc/32/38/52/558323852.db2.gz JXCBBZVCAAIVCM-LLVKDONJSA-N -1 3 418.740 4.541 40 0 HJABHM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000020110575 558335631 /nfs/dbraw/zinc/33/56/31/558335631.db2.gz WXGFMBOKDLTXFA-OAHLLOKOSA-N -1 3 414.914 4.632 40 0 HJABHM Cc1ccc([N-]C(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)nc1 ZINC000022078902 558462933 /nfs/dbraw/zinc/46/29/33/558462933.db2.gz RBPSDWPVMHTPSI-UHFFFAOYSA-N -1 3 411.733 4.706 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000022259051 558474898 /nfs/dbraw/zinc/47/48/98/558474898.db2.gz AMWZTOHWRSJPND-UHFFFAOYSA-N -1 3 411.104 4.565 40 0 HJABHM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022535286 558497953 /nfs/dbraw/zinc/49/79/53/558497953.db2.gz ZPQNOSDAIQWVLN-UHFFFAOYSA-N -1 3 414.914 4.956 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 ZINC000013680443 558566353 /nfs/dbraw/zinc/56/63/53/558566353.db2.gz QBTSRUREQLGVPF-UHFFFAOYSA-N -1 3 408.523 4.594 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1C ZINC000014004398 558612685 /nfs/dbraw/zinc/61/26/85/558612685.db2.gz HIIXHZBWKXXKQB-GOSISDBHSA-N -1 3 424.522 4.510 40 0 HJABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000014012150 558613522 /nfs/dbraw/zinc/61/35/22/558613522.db2.gz CHNWLSVXRPFPEV-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM O=C(Nc1ccc(F)c(F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030757695 558737449 /nfs/dbraw/zinc/73/74/49/558737449.db2.gz HPXIEODLBYYYGR-UHFFFAOYSA-N -1 3 422.840 4.671 40 0 HJABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000030867321 558742884 /nfs/dbraw/zinc/74/28/84/558742884.db2.gz MEIPYLLQERTURQ-UHFFFAOYSA-N -1 3 422.717 4.765 40 0 HJABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000101012839 558825134 /nfs/dbraw/zinc/82/51/34/558825134.db2.gz GRYBUPGQWXZFDB-HJOGWXRNSA-N -1 3 412.489 4.609 40 0 HJABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000101012848 558825151 /nfs/dbraw/zinc/82/51/51/558825151.db2.gz GRYBUPGQWXZFDB-VXNXHJTFSA-N -1 3 412.489 4.609 40 0 HJABHM Cc1c(-c2cc(C(=O)[N-]c3nc(-c4ccc(OC(C)C)cc4)cs3)no2)cnn1C ZINC000019554166 558917237 /nfs/dbraw/zinc/91/72/37/558917237.db2.gz ZANJFKCETJIEIZ-UHFFFAOYSA-N -1 3 423.498 4.547 40 0 HJABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409057135 560670470 /nfs/dbraw/zinc/67/04/70/560670470.db2.gz IUICRTWDGCNVTC-IQVOZAENSA-N -1 3 402.416 4.853 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Cl)N2 ZINC000409100202 560676904 /nfs/dbraw/zinc/67/69/04/560676904.db2.gz ULEYWXZFJATTEP-SUFBMKPHSA-N -1 3 402.844 4.865 40 0 HJABHM CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1[O-] ZINC000409110668 560677832 /nfs/dbraw/zinc/67/78/32/560677832.db2.gz FUODFJWGJAQLLC-UHFFFAOYSA-N -1 3 417.674 4.969 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(Cl)c1Cl ZINC000409139829 560683293 /nfs/dbraw/zinc/68/32/93/560683293.db2.gz BTGNUFUNJICFKP-UHFFFAOYSA-N -1 3 411.104 4.565 40 0 HJABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409180973 560688348 /nfs/dbraw/zinc/68/83/48/560688348.db2.gz ZZUGGGKNUPOPFQ-KRWDZBQOSA-N -1 3 422.900 4.993 40 0 HJABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C(C)C ZINC000224599685 568587372 /nfs/dbraw/zinc/58/73/72/568587372.db2.gz IOLMIEAIRWXGDM-FGZHOGPDSA-N -1 3 406.555 4.964 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1cccc(F)c1 ZINC000224956426 568605872 /nfs/dbraw/zinc/60/58/72/568605872.db2.gz ADDCLAVVRGBYTO-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000225055549 568611549 /nfs/dbraw/zinc/61/15/49/568611549.db2.gz PEEZRYBLYDUERR-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)c(C)c1 ZINC000225055901 568611563 /nfs/dbraw/zinc/61/15/63/568611563.db2.gz SZYPGZFAXGHNTE-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM O=C([O-])c1ccc(CN2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 ZINC000257207388 568778320 /nfs/dbraw/zinc/77/83/20/568778320.db2.gz BHMZXTVKSNGNMX-LJQANCHMSA-N -1 3 410.901 4.997 40 0 HJABHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c([O-])c12 ZINC000007424049 569238058 /nfs/dbraw/zinc/23/80/58/569238058.db2.gz GKSDARILDPVPJB-UHFFFAOYSA-N -1 3 413.264 4.581 40 0 HJABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000010335820 569343984 /nfs/dbraw/zinc/34/39/84/569343984.db2.gz FWBGCJQKDYUCGO-UHFFFAOYSA-N -1 3 412.486 4.506 40 0 HJABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000018087048 569383550 /nfs/dbraw/zinc/38/35/50/569383550.db2.gz FNBXZQRPOLLYGF-OTWHNJEPSA-N -1 3 419.308 4.718 40 0 HJABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccccc3C)sc2c1 ZINC000032119119 571306939 /nfs/dbraw/zinc/30/69/39/571306939.db2.gz SKTDEUSSRFKLKM-UHFFFAOYSA-N -1 3 413.568 4.839 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1 ZINC000408550331 557426929 /nfs/dbraw/zinc/42/69/29/557426929.db2.gz CUXSZBKBGLVOFX-UHFFFAOYSA-N -1 3 424.522 4.872 40 0 HJABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000408563602 557470054 /nfs/dbraw/zinc/47/00/54/557470054.db2.gz PVNRSGVBNFRZJG-GHTZIAJQSA-N -1 3 424.463 4.752 40 0 HJABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000408563603 557470068 /nfs/dbraw/zinc/47/00/68/557470068.db2.gz PVNRSGVBNFRZJG-NQIIRXRSSA-N -1 3 424.463 4.752 40 0 HJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 ZINC000408583580 557482095 /nfs/dbraw/zinc/48/20/95/557482095.db2.gz INJQSGKVKXGZHR-UHFFFAOYSA-N -1 3 403.548 4.608 40 0 HJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000408606068 557518056 /nfs/dbraw/zinc/51/80/56/557518056.db2.gz LIARSTPTAFHITD-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408601432 557521915 /nfs/dbraw/zinc/52/19/15/557521915.db2.gz AXATXMCFXFMWCK-UHFFFAOYSA-N -1 3 408.523 4.919 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000005579268 557663220 /nfs/dbraw/zinc/66/32/20/557663220.db2.gz JMKUKWQBMYRYRU-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471521 557792104 /nfs/dbraw/zinc/79/21/04/557792104.db2.gz PNAPELHQBQCVDW-UHFFFAOYSA-N -1 3 411.885 4.916 40 0 HJABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000008472168 557792336 /nfs/dbraw/zinc/79/23/36/557792336.db2.gz HMMULPCCJDQLHR-UHFFFAOYSA-N -1 3 411.885 4.916 40 0 HJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Cl)cc1Cl ZINC000019937621 558312485 /nfs/dbraw/zinc/31/24/85/558312485.db2.gz IMPHFKJEKANOMP-UHFFFAOYSA-N -1 3 408.672 4.578 40 0 HJABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000020456194 558369744 /nfs/dbraw/zinc/36/97/44/558369744.db2.gz NZZAHUGTRVLXKB-CYBMUJFWSA-N -1 3 408.951 4.500 40 0 HJABHM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020462373 558373597 /nfs/dbraw/zinc/37/35/97/558373597.db2.gz JPIZTWMFDUMQLR-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000023787698 558575972 /nfs/dbraw/zinc/57/59/72/558575972.db2.gz MMFQLHRVOWZAMH-UHFFFAOYSA-N -1 3 408.523 4.594 40 0 HJABHM CCOC(=O)c1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCC2 ZINC000017091789 558820228 /nfs/dbraw/zinc/82/02/28/558820228.db2.gz DOLAOSNFNOXUGW-UHFFFAOYSA-N -1 3 419.371 4.751 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000101074401 558826492 /nfs/dbraw/zinc/82/64/92/558826492.db2.gz CNTPOBMIWIPEHC-VSKRKVRLSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)c1 ZINC000013757647 558865406 /nfs/dbraw/zinc/86/54/06/558865406.db2.gz GLTQFBFWISJYOZ-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[n-]1 ZINC000019453490 558890781 /nfs/dbraw/zinc/89/07/81/558890781.db2.gz HCQBZRRNUAVOSW-OAQYLSRUSA-N -1 3 404.489 4.587 40 0 HJABHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000022234088 558943564 /nfs/dbraw/zinc/94/35/64/558943564.db2.gz PWSXBYBVFSEFDD-UHFFFAOYSA-N -1 3 400.278 4.818 40 0 HJABHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1[O-] ZINC000022234088 558943566 /nfs/dbraw/zinc/94/35/66/558943566.db2.gz PWSXBYBVFSEFDD-UHFFFAOYSA-N -1 3 400.278 4.818 40 0 HJABHM COc1ccc(Cc2c(-c3ccccc3[O-])nc3ncnn3c2-c2ccccc2)cc1 ZINC000006230412 559089618 /nfs/dbraw/zinc/08/96/18/559089618.db2.gz ZUFSWWDQWUMNIQ-UHFFFAOYSA-N -1 3 408.461 4.763 40 0 HJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 ZINC000408908226 560652755 /nfs/dbraw/zinc/65/27/55/560652755.db2.gz WAAYVWDQCKGDRU-UHFFFAOYSA-N -1 3 411.552 4.913 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409361644 560714908 /nfs/dbraw/zinc/71/49/08/560714908.db2.gz QNYPJNOBWUNBNA-WTANOLMUSA-N -1 3 400.416 4.741 40 0 HJABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000017091068 560865768 /nfs/dbraw/zinc/86/57/68/560865768.db2.gz JGHNBXYXOOBWCR-UHFFFAOYSA-N -1 3 417.490 4.890 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC3)c(Cl)c1Cl ZINC000223177459 568540264 /nfs/dbraw/zinc/54/02/64/568540264.db2.gz JOOOADBPOBWHOX-NSHDSACASA-N -1 3 400.327 4.530 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)cc2)c(Cl)c1Cl ZINC000223717530 568557319 /nfs/dbraw/zinc/55/73/19/568557319.db2.gz GKJMVSDVVPMYHU-UHFFFAOYSA-N -1 3 402.343 4.778 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(C)C ZINC000224137511 568571156 /nfs/dbraw/zinc/57/11/56/568571156.db2.gz JPGBTXVALDVLDH-UHFFFAOYSA-N -1 3 416.312 4.829 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)c1ccco1 ZINC000224541093 568584259 /nfs/dbraw/zinc/58/42/59/568584259.db2.gz HTWHNMNHBPPJNF-UHFFFAOYSA-N -1 3 411.266 4.640 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224620941 568588584 /nfs/dbraw/zinc/58/85/84/568588584.db2.gz DWDJREMLMBORBV-VXKWHMMOSA-N -1 3 404.539 4.881 40 0 HJABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C ZINC000224866455 568601087 /nfs/dbraw/zinc/60/10/87/568601087.db2.gz HLLMTXQNZPBKEY-PMACEKPBSA-N -1 3 412.946 4.573 40 0 HJABHM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000059133060 568701027 /nfs/dbraw/zinc/70/10/27/568701027.db2.gz TUZWFYLDGSCETR-QFIPXVFZSA-N -1 3 424.522 4.592 40 0 HJABHM O=C(c1ccc([O-])cc1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000257272242 568796133 /nfs/dbraw/zinc/79/61/33/568796133.db2.gz NBPDKLWZOBLZJM-GBXCKJPGSA-N -1 3 404.485 4.717 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c(C)c1 ZINC000028206839 569350062 /nfs/dbraw/zinc/35/00/62/569350062.db2.gz WTDRPTATKJLIFF-GOSISDBHSA-N -1 3 420.534 4.696 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009108992 569391574 /nfs/dbraw/zinc/39/15/74/569391574.db2.gz MUTCSHDRYWFKDV-GVAUOCQISA-N -1 3 420.468 4.891 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccs1 ZINC000009319895 569392220 /nfs/dbraw/zinc/39/22/20/569392220.db2.gz BSNNENDIYSJYIY-UFYCRDLUSA-N -1 3 424.909 4.761 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C(C)C)C(C)C)cc2Cl)cc1 ZINC000044841137 525596615 /nfs/dbraw/zinc/59/66/15/525596615.db2.gz CZBQMBSKUFDNNH-UHFFFAOYSA-N -1 3 422.978 4.860 40 0 HJABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccccc1Br ZINC000033438908 527244621 /nfs/dbraw/zinc/24/46/21/527244621.db2.gz IHAZMJVJSJIDFN-UHFFFAOYSA-N -1 3 414.630 4.922 40 0 HJABHM CCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896753 557113489 /nfs/dbraw/zinc/11/34/89/557113489.db2.gz NITMZVBEIHOIHG-IYBDPMFKSA-N -1 3 424.570 4.705 40 0 HJABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408562152 557460671 /nfs/dbraw/zinc/46/06/71/557460671.db2.gz NKTOVSAETSJKSM-UHFFFAOYSA-N -1 3 416.330 4.668 40 0 HJABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408562509 557461135 /nfs/dbraw/zinc/46/11/35/557461135.db2.gz QKROJGNGRCTVSS-UHFFFAOYSA-N -1 3 416.330 4.668 40 0 HJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 ZINC000408583267 557487739 /nfs/dbraw/zinc/48/77/39/557487739.db2.gz GSOVRENJQXQDTP-UHFFFAOYSA-N -1 3 402.560 4.524 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000408609162 557532513 /nfs/dbraw/zinc/53/25/13/557532513.db2.gz LWWBZGBPOKXDFO-UHFFFAOYSA-N -1 3 400.205 4.822 40 0 HJABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 ZINC000008471934 557792298 /nfs/dbraw/zinc/79/22/98/557792298.db2.gz BKCYSJDZEDOJBJ-UHFFFAOYSA-N -1 3 411.885 4.916 40 0 HJABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1C ZINC000010009801 557853810 /nfs/dbraw/zinc/85/38/10/557853810.db2.gz RULFBUWAPXQNQW-UHFFFAOYSA-N -1 3 422.550 4.902 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c(C)c1 ZINC000101025187 558825214 /nfs/dbraw/zinc/82/52/14/558825214.db2.gz GRSVHQCKZAIOBQ-JRFVFWCSSA-N -1 3 412.489 4.663 40 0 HJABHM CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[n-]1 ZINC000019453486 558890750 /nfs/dbraw/zinc/89/07/50/558890750.db2.gz QNSQSCASLGURND-OAQYLSRUSA-N -1 3 404.489 4.587 40 0 HJABHM COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1[O-] ZINC000408803072 560642957 /nfs/dbraw/zinc/64/29/57/560642957.db2.gz KYMCFVMSKJAKIV-UHFFFAOYSA-N -1 3 410.302 4.779 40 0 HJABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409057133 560670521 /nfs/dbraw/zinc/67/05/21/560670521.db2.gz IUICRTWDGCNVTC-IBZMOEQTSA-N -1 3 402.416 4.853 40 0 HJABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409354718 560714413 /nfs/dbraw/zinc/71/44/13/560714413.db2.gz BKIZRRXVKPFACL-SFHVURJKSA-N -1 3 402.482 4.729 40 0 HJABHM CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1[O-] ZINC000409412358 560722111 /nfs/dbraw/zinc/72/21/11/560722111.db2.gz VASQTMVCRFHBPA-UHFFFAOYSA-N -1 3 423.325 4.708 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1C ZINC000006270239 560740798 /nfs/dbraw/zinc/74/07/98/560740798.db2.gz JHXYASVLECOHJH-OQLLNIDSSA-N -1 3 406.507 4.756 40 0 HJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000013998010 560832040 /nfs/dbraw/zinc/83/20/40/560832040.db2.gz NNOCUBUWNDWQKR-OVCLIPMQSA-N -1 3 424.497 4.895 40 0 HJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000013997880 560832130 /nfs/dbraw/zinc/83/21/30/560832130.db2.gz JTLPZZKPRRBSBV-LFIBNONCSA-N -1 3 406.507 4.756 40 0 HJABHM CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cc2ccccc2cc1[O-] ZINC000018209026 560871420 /nfs/dbraw/zinc/87/14/20/560871420.db2.gz BPWWRYZRCLWZRU-UHFFFAOYSA-N -1 3 412.559 4.561 40 0 HJABHM CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1[O-] ZINC000222661185 568522609 /nfs/dbraw/zinc/52/26/09/568522609.db2.gz HKZAHQXWKJGSJG-BVGQSLNGSA-N -1 3 403.935 4.819 40 0 HJABHM CCc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224058149 568568173 /nfs/dbraw/zinc/56/81/73/568568173.db2.gz QRZDSDQDCKQVBG-UHFFFAOYSA-N -1 3 424.522 4.619 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc(Cl)cc1 ZINC000224525650 568583579 /nfs/dbraw/zinc/58/35/79/568583579.db2.gz CZFOLVZATZSMFR-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM C[C@@]1(NC(=O)CCO)C[C@H](c2cc(Cl)ccc2[O-])O[C@H](c2cccc(Cl)c2)C1 ZINC000257273737 568796842 /nfs/dbraw/zinc/79/68/42/568796842.db2.gz NHYNVCARRXGDQE-ZVDOUQERSA-N -1 3 424.324 4.549 40 0 HJABHM Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(Cc4cccc(C(=O)[O-])c4)CC[C@@H]3O[C@H]21 ZINC000257339091 568815771 /nfs/dbraw/zinc/81/57/71/568815771.db2.gz ZADYWMJYBIKXFO-LKFPXLSTSA-N -1 3 421.537 4.833 40 0 HJABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1 ZINC000224031493 569284522 /nfs/dbraw/zinc/28/45/22/569284522.db2.gz QMJDOIXPZVGQME-INIZCTEOSA-N -1 3 412.349 4.523 40 0 HJABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000018062802 569383512 /nfs/dbraw/zinc/38/35/12/569383512.db2.gz KAEVMPMHCQRLOG-SCTDSRPQSA-N -1 3 419.308 4.718 40 0 HJABHM CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896757 557113517 /nfs/dbraw/zinc/11/35/17/557113517.db2.gz NITMZVBEIHOIHG-HOTGVXAUSA-N -1 3 424.570 4.705 40 0 HJABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408585226 557488455 /nfs/dbraw/zinc/48/84/55/557488455.db2.gz XXCHNDSTYLHZRN-UHFFFAOYSA-N -1 3 416.330 4.572 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3[O-])oc2c1 ZINC000408627568 557560857 /nfs/dbraw/zinc/56/08/57/557560857.db2.gz LTINXTDLWSJNTK-UHFFFAOYSA-N -1 3 403.463 4.636 40 0 HJABHM Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000006614612 557710300 /nfs/dbraw/zinc/71/03/00/557710300.db2.gz WUWWNNFCAYSFRH-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000020454106 558368120 /nfs/dbraw/zinc/36/81/20/558368120.db2.gz FOANTPLSYHTIGN-UHFFFAOYSA-N -1 3 408.523 4.594 40 0 HJABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000015243269 558729432 /nfs/dbraw/zinc/72/94/32/558729432.db2.gz MGNMQTICBVTCCS-UHFFFAOYSA-N -1 3 422.506 4.579 40 0 HJABHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1Cl ZINC000015415331 558739264 /nfs/dbraw/zinc/73/92/64/558739264.db2.gz MJZSNBTXNNOIRG-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000030853460 558740405 /nfs/dbraw/zinc/74/04/05/558740405.db2.gz YKSFTEPIMIZXMS-UHFFFAOYSA-N -1 3 422.550 4.902 40 0 HJABHM O=C(NC1CCCCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038772770 558815508 /nfs/dbraw/zinc/81/55/08/558815508.db2.gz IZJLLNPTDUEACH-UHFFFAOYSA-N -1 3 420.962 4.984 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101028631 558825223 /nfs/dbraw/zinc/82/52/23/558825223.db2.gz MUTCSHDRYWFKDV-SDHSZQHLSA-N -1 3 420.468 4.891 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102735469 559152348 /nfs/dbraw/zinc/15/23/48/559152348.db2.gz IGDNOVPTPQAEFM-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM Cc1ccsc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000008369829 559280885 /nfs/dbraw/zinc/28/08/85/559280885.db2.gz XBDPTPRDGVQBRJ-RIYZIHGNSA-N -1 3 408.957 4.565 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000085945230 560545581 /nfs/dbraw/zinc/54/55/81/560545581.db2.gz NCMXLZBQFZUUHH-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000408953059 560657173 /nfs/dbraw/zinc/65/71/73/560657173.db2.gz LLFVCHAKVWYOGG-FQEVSTJZSA-N -1 3 414.468 4.917 40 0 HJABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)cc1 ZINC000101201685 560785541 /nfs/dbraw/zinc/78/55/41/560785541.db2.gz IDGCKJXQNAKQSW-SGNDLWITSA-N -1 3 412.489 4.609 40 0 HJABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3[O-])oc2c(C)c1 ZINC000017091087 560865911 /nfs/dbraw/zinc/86/59/11/560865911.db2.gz OJNZLMSLWKBCQS-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM C[C@@]12C(=O)N(c3cccc(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004908909 568423098 /nfs/dbraw/zinc/42/30/98/568423098.db2.gz JRYISFBJRDAFHH-IMSXRSKXSA-N -1 3 418.880 4.781 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C)c1 ZINC000005093554 568433286 /nfs/dbraw/zinc/43/32/86/568433286.db2.gz GGXVKOKJHJWILE-FCEUIQTBSA-N -1 3 418.518 4.724 40 0 HJABHM CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000216446022 568465407 /nfs/dbraw/zinc/46/54/07/568465407.db2.gz ZMOLPTWFMYFZNN-UHFFFAOYSA-N -1 3 412.486 4.750 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000224610922 568588021 /nfs/dbraw/zinc/58/80/21/568588021.db2.gz ODFVBHZEKMFNMR-XZOQPEGZSA-N -1 3 412.518 4.755 40 0 HJABHM Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224858984 568600665 /nfs/dbraw/zinc/60/06/65/568600665.db2.gz OJNANMURXFWONR-IRXDYDNUSA-N -1 3 401.944 4.988 40 0 HJABHM Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224858934 568600696 /nfs/dbraw/zinc/60/06/96/568600696.db2.gz OJNANMURXFWONR-IAGOWNOFSA-N -1 3 401.944 4.988 40 0 HJABHM Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])s1 ZINC000224859203 568600849 /nfs/dbraw/zinc/60/08/49/568600849.db2.gz HISSMYDEDKSZCN-ROUUACIJSA-N -1 3 401.944 4.988 40 0 HJABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257232531 568785630 /nfs/dbraw/zinc/78/56/30/568785630.db2.gz GLGQSJJXKLCLQI-BAMDZGJYSA-N -1 3 407.510 4.667 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000015276235 568867730 /nfs/dbraw/zinc/86/77/30/568867730.db2.gz UATSXNGJSNRLHJ-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408554613 557444499 /nfs/dbraw/zinc/44/44/99/557444499.db2.gz CSMPBTVKZDHVSA-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000408561571 557459963 /nfs/dbraw/zinc/45/99/63/557459963.db2.gz JUWMXWNXPQYLFT-UHFFFAOYSA-N -1 3 401.532 4.629 40 0 HJABHM Cc1cc([O-])c(C(=O)[C@H](C)SC(=S)N2CCCCC2)cc1Br ZINC000005538716 557660230 /nfs/dbraw/zinc/66/02/30/557660230.db2.gz NCWIAZZWNKWJAS-NSHDSACASA-N -1 3 402.379 4.538 40 0 HJABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000019886514 558302091 /nfs/dbraw/zinc/30/20/91/558302091.db2.gz GPTYBXPZSUEQSP-UHFFFAOYSA-N -1 3 412.536 4.852 40 0 HJABHM CC(C)C(NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)C(C)C ZINC000020034809 558324585 /nfs/dbraw/zinc/32/45/85/558324585.db2.gz WDRLCBGNRRVWMY-UHFFFAOYSA-N -1 3 408.951 4.551 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]CCCc2ccccc2Cl)c(Cl)c1Cl ZINC000013646032 558556624 /nfs/dbraw/zinc/55/66/24/558556624.db2.gz CHZAQMWLEBPQOQ-UHFFFAOYSA-N -1 3 408.734 4.567 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102726099 559152213 /nfs/dbraw/zinc/15/22/13/559152213.db2.gz YYRMEMFAUXXGHP-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000409178218 560687499 /nfs/dbraw/zinc/68/74/99/560687499.db2.gz JVGHQJMRBYGAPW-GUYCJALGSA-N -1 3 420.884 4.603 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(OC)c1)N2 ZINC000409366121 560715419 /nfs/dbraw/zinc/71/54/19/560715419.db2.gz YXESSMWWTOFKLA-AKCHCHLHSA-N -1 3 412.452 4.610 40 0 HJABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000102728415 560731738 /nfs/dbraw/zinc/73/17/38/560731738.db2.gz KAEVMPMHCQRLOG-YQVWRLOYSA-N -1 3 419.308 4.718 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F)c1ccc(Cl)cc1 ZINC000008810055 560756126 /nfs/dbraw/zinc/75/61/26/560756126.db2.gz XKHSJJMFYKILJD-UHFFFAOYSA-N -1 3 422.840 4.671 40 0 HJABHM Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000017091076 560865840 /nfs/dbraw/zinc/86/58/40/560865840.db2.gz SSCVVDOCBBTFIG-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM COc1cc2sc([N-]C(=O)c3c(F)c(F)c(OC)c(F)c3F)nc2cc1Cl ZINC000017092435 560866967 /nfs/dbraw/zinc/86/69/67/560866967.db2.gz UKUYSKSTSNHOIN-UHFFFAOYSA-N -1 3 420.771 4.776 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Cl)N2 ZINC000409100200 568417607 /nfs/dbraw/zinc/41/76/07/568417607.db2.gz ULEYWXZFJATTEP-BVRBVLIYSA-N -1 3 402.844 4.865 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)c(C)c1 ZINC000005528968 568446978 /nfs/dbraw/zinc/44/69/78/568446978.db2.gz HFOLDOQWPQYRAR-VXNXHJTFSA-N -1 3 412.489 4.663 40 0 HJABHM CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1[O-] ZINC000222661112 568522663 /nfs/dbraw/zinc/52/26/63/568522663.db2.gz HKZAHQXWKJGSJG-JEBQAFNWSA-N -1 3 403.935 4.819 40 0 HJABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000223592003 568552619 /nfs/dbraw/zinc/55/26/19/568552619.db2.gz YAKJWWOSCVQFFE-UHFFFAOYSA-N -1 3 421.522 4.666 40 0 HJABHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc2c1 ZINC000224465004 568581932 /nfs/dbraw/zinc/58/19/32/568581932.db2.gz NTQNIFRUCQCAKP-UHFFFAOYSA-N -1 3 410.264 4.551 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c(C)c1 ZINC000224983307 568607444 /nfs/dbraw/zinc/60/74/44/568607444.db2.gz FXDZULBJNDGLJY-UHFFFAOYSA-N -1 3 404.713 4.529 40 0 HJABHM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000225709332 568666643 /nfs/dbraw/zinc/66/66/43/568666643.db2.gz GSSXCSUNVFPDKA-UHFFFAOYSA-N -1 3 417.339 4.752 40 0 HJABHM O=C([O-])c1ccc(CN2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 ZINC000257207387 568778249 /nfs/dbraw/zinc/77/82/49/568778249.db2.gz BHMZXTVKSNGNMX-IBGZPJMESA-N -1 3 410.901 4.997 40 0 HJABHM C[C@H](NC[C@@H](O)C[P@](=O)([O-])CC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000033605732 569284328 /nfs/dbraw/zinc/28/43/28/569284328.db2.gz JGGVBBYJRQOPPA-XJKSGUPXSA-N -1 3 408.306 4.856 40 0 HJABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1 ZINC000224031552 569284480 /nfs/dbraw/zinc/28/44/80/569284480.db2.gz QMJDOIXPZVGQME-MRXNPFEDSA-N -1 3 412.349 4.523 40 0 HJABHM Cc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000010328132 569343752 /nfs/dbraw/zinc/34/37/52/569343752.db2.gz CNUCTKADTNOAGK-UHFFFAOYSA-N -1 3 412.536 4.770 40 0 HJABHM COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc([O-])c1O2 ZINC000006070257 291276641 /nfs/dbraw/zinc/27/66/41/291276641.db2.gz NUYFKDBCHFKOBT-IBGZPJMESA-N -1 3 414.454 4.822 40 0 biogenic,in-vitro HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225880171 524252456 /nfs/dbraw/zinc/25/24/56/524252456.db2.gz HWUZXWZEGOURKM-KRWDZBQOSA-N -1 3 421.946 4.854 40 0 HJABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 ZINC000408558747 557456124 /nfs/dbraw/zinc/45/61/24/557456124.db2.gz SSLFWQDIOLHIHZ-UHFFFAOYSA-N -1 3 424.522 4.619 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c1 ZINC000101000640 558824838 /nfs/dbraw/zinc/82/48/38/558824838.db2.gz CZNJUCWEUUULRC-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000101074394 558826524 /nfs/dbraw/zinc/82/65/24/558826524.db2.gz CNTPOBMIWIPEHC-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000013750219 558863810 /nfs/dbraw/zinc/86/38/10/558863810.db2.gz HKJYIXSCILEBFO-FHWLQOOXSA-N -1 3 419.308 4.862 40 0 HJABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000408953062 560657181 /nfs/dbraw/zinc/65/71/81/560657181.db2.gz LLFVCHAKVWYOGG-HXUWFJFHSA-N -1 3 414.468 4.917 40 0 HJABHM CC(=O)c1ccc(-c2ccc(C=C3[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000409096069 560675802 /nfs/dbraw/zinc/67/58/02/560675802.db2.gz CHHPNAMFFOMNMD-XDHOZWIPSA-N -1 3 406.825 4.900 40 0 HJABHM CCCN1C(=O)/C(=C\c2cc(OCC)c([O-])cc2Br)c2ccccc21 ZINC000409119721 560679405 /nfs/dbraw/zinc/67/94/05/560679405.db2.gz QNJDWXOJXSLZMC-GDNBJRDFSA-N -1 3 402.288 4.851 40 0 HJABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@@]2([O-])C(F)(F)F ZINC000409184901 560688884 /nfs/dbraw/zinc/68/88/84/560688884.db2.gz YRWRVIXKEKPKLW-IBZMOEQTSA-N -1 3 402.416 4.853 40 0 HJABHM CC(=O)c1ccc(-c2ccc(C=C3[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409230115 560700012 /nfs/dbraw/zinc/70/00/12/560700012.db2.gz BQFDDLUUWDBLIF-XDHOZWIPSA-N -1 3 406.825 4.900 40 0 HJABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409354715 560714433 /nfs/dbraw/zinc/71/44/33/560714433.db2.gz BKIZRRXVKPFACL-GOSISDBHSA-N -1 3 402.482 4.729 40 0 HJABHM CCCCCOc1ccccc1[C@H]1Nc2ccccc2[C@H]2C(=O)[N-]C(SCC)=NN12 ZINC000588229057 560743820 /nfs/dbraw/zinc/74/38/20/560743820.db2.gz BIEAVDSPIWNWNJ-SFTDATJTSA-N -1 3 424.570 4.877 40 0 HJABHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000017089415 560864224 /nfs/dbraw/zinc/86/42/24/560864224.db2.gz JFBSPHUWKUYHGW-UHFFFAOYSA-N -1 3 412.898 4.751 40 0 HJABHM CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1[O-] ZINC000222660960 568522613 /nfs/dbraw/zinc/52/26/13/568522613.db2.gz HKZAHQXWKJGSJG-FSPWUOQZSA-N -1 3 403.935 4.819 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)cc1 ZINC000224056932 568568072 /nfs/dbraw/zinc/56/80/72/568568072.db2.gz XODPQUZAKPXLMU-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000224621459 568588598 /nfs/dbraw/zinc/58/85/98/568588598.db2.gz JDFPCLISZFWCKM-XZOQPEGZSA-N -1 3 412.518 4.755 40 0 HJABHM Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])s1 ZINC000224859128 568600722 /nfs/dbraw/zinc/60/07/22/568600722.db2.gz HISSMYDEDKSZCN-MSOLQXFVSA-N -1 3 401.944 4.988 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C(C)C ZINC000225167793 568619983 /nfs/dbraw/zinc/61/99/83/568619983.db2.gz NJUBMSTUQWQLEH-UHFFFAOYSA-N -1 3 420.556 4.577 40 0 HJABHM CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2[O-])O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257292969 568802465 /nfs/dbraw/zinc/80/24/65/568802465.db2.gz QNPYXOVBCUDXNQ-MDOTZSGJSA-N -1 3 424.379 4.952 40 0 HJABHM O=C([O-])c1cccc(CN2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 ZINC000257342789 568817000 /nfs/dbraw/zinc/81/70/00/568817000.db2.gz ZQEBGCCSHPDFNC-IBGZPJMESA-N -1 3 410.901 4.997 40 0 HJABHM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)C1CCCCC1 ZINC000044949687 523936521 /nfs/dbraw/zinc/93/65/21/523936521.db2.gz SMMNRAZPHSKUJA-UHFFFAOYSA-N -1 3 406.935 4.546 40 0 HJABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c(C)c1 ZINC000408552635 557441721 /nfs/dbraw/zinc/44/17/21/557441721.db2.gz RUWUFNSHRRASMX-UHFFFAOYSA-N -1 3 414.571 4.784 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccccc1C ZINC000408553984 557450749 /nfs/dbraw/zinc/45/07/49/557450749.db2.gz ARFJOFUZLRIIND-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557990 557455068 /nfs/dbraw/zinc/45/50/68/557455068.db2.gz POEIXBTUYWYMRQ-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccccc1C ZINC000408559368 557456915 /nfs/dbraw/zinc/45/69/15/557456915.db2.gz WQWAFGUGHINZOW-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N1CCCCCC1 ZINC000408584707 557487907 /nfs/dbraw/zinc/48/79/07/557487907.db2.gz UAWFQXGCSCNSQB-UHFFFAOYSA-N -1 3 407.923 4.549 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)CC ZINC000408699327 557716569 /nfs/dbraw/zinc/71/65/69/557716569.db2.gz WHVJAWBRAFTIIK-UHFFFAOYSA-N -1 3 417.314 4.541 40 0 HJABHM C/C=C/C=C/C(=O)Nc1ccc(Cc2ccc(NC(=O)/C=C/C=C/C)c(O)c2)cc1[O-] ZINC000020160102 558342634 /nfs/dbraw/zinc/34/26/34/558342634.db2.gz GGDVPMLNCGPOIS-MIIZMDLZSA-N -1 3 418.493 4.830 40 0 HJABHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1CCc1ccccc1 ZINC000016790293 558807283 /nfs/dbraw/zinc/80/72/83/558807283.db2.gz ANIMPLQDJIBRIG-UHFFFAOYSA-N -1 3 417.292 4.664 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C)c1 ZINC000101029048 558825241 /nfs/dbraw/zinc/82/52/41/558825241.db2.gz GGXVKOKJHJWILE-NNWRFLSQSA-N -1 3 418.518 4.724 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)cc1 ZINC000059133016 558932311 /nfs/dbraw/zinc/93/23/11/558932311.db2.gz LDHVTPBWKRMQLK-UHFFFAOYSA-N -1 3 412.536 4.527 40 0 HJABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cccc(Br)c1 ZINC000199769623 559021613 /nfs/dbraw/zinc/02/16/13/559021613.db2.gz WQWFHAFDKSNRSF-UHFFFAOYSA-N -1 3 414.630 4.922 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(F)cc1 ZINC000100565910 559136624 /nfs/dbraw/zinc/13/66/24/559136624.db2.gz GOYZKYVQWGNNAH-HBMCJLEFSA-N -1 3 422.843 4.530 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102726105 559152226 /nfs/dbraw/zinc/15/22/26/559152226.db2.gz YYRMEMFAUXXGHP-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000102759870 559152607 /nfs/dbraw/zinc/15/26/07/559152607.db2.gz CGTHHUAWOJLGOO-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000109072480 559170607 /nfs/dbraw/zinc/17/06/07/559170607.db2.gz SKROBGRNZMLODW-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM O=C(CSc1nnc(COc2cccc3ccccc32)o1)c1cc(F)ccc1[O-] ZINC000000888796 560542074 /nfs/dbraw/zinc/54/20/74/560542074.db2.gz NVHGQDAWDPKMDK-UHFFFAOYSA-N -1 3 410.426 4.622 40 0 HJABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000970947 560560327 /nfs/dbraw/zinc/56/03/27/560560327.db2.gz YWXFIGUYJUWUPB-UHFFFAOYSA-N -1 3 419.462 4.965 40 0 HJABHM COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c(Br)cc1[O-] ZINC000409109830 560677764 /nfs/dbraw/zinc/67/77/64/560677764.db2.gz MGMPXISXMMTJFY-NVNXTCNLSA-N -1 3 402.288 4.707 40 0 HJABHM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000409411446 560721604 /nfs/dbraw/zinc/72/16/04/560721604.db2.gz WZDJZNZHXSXEPX-UHFFFAOYSA-N -1 3 412.536 4.770 40 0 HJABHM CCCCCOc1ccccc1[C@@H]1Nc2ccccc2[C@H]2C(=O)[N-]C(SCC)=NN12 ZINC000588229054 560743775 /nfs/dbraw/zinc/74/37/75/560743775.db2.gz BIEAVDSPIWNWNJ-LEWJYISDSA-N -1 3 424.570 4.877 40 0 HJABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)cc1 ZINC000101201692 560785682 /nfs/dbraw/zinc/78/56/82/560785682.db2.gz IDGCKJXQNAKQSW-SMIHKQSGSA-N -1 3 412.489 4.609 40 0 HJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013997877 560832119 /nfs/dbraw/zinc/83/21/19/560832119.db2.gz SRRWCBFPVLYVGC-UHFFFAOYSA-N -1 3 411.552 4.913 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3[O-])oc2c1 ZINC000017091082 560865785 /nfs/dbraw/zinc/86/57/85/560865785.db2.gz YRWVACKRCWEFOF-UHFFFAOYSA-N -1 3 417.490 4.565 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccco4)ccc3[O-])oc2c1 ZINC000017091814 560866477 /nfs/dbraw/zinc/86/64/77/560866477.db2.gz RDYFYJLBYHDVCA-RMKNXTFCSA-N -1 3 419.462 4.628 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020765983 568458981 /nfs/dbraw/zinc/45/89/81/568458981.db2.gz HWSXWLLDPXUETC-UHFFFAOYSA-N -1 3 420.534 4.697 40 0 HJABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2O1 ZINC000223668029 568555607 /nfs/dbraw/zinc/55/56/07/568555607.db2.gz GEZPLAYCHXAWEB-UHFFFAOYSA-N -1 3 401.528 4.912 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224598429 568587036 /nfs/dbraw/zinc/58/70/36/568587036.db2.gz YXTXYNPKKLQRCK-VXKWHMMOSA-N -1 3 404.539 4.881 40 0 HJABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000225637987 568659152 /nfs/dbraw/zinc/65/91/52/568659152.db2.gz ULNBZHKVHPGKMA-UHFFFAOYSA-N -1 3 422.506 4.579 40 0 HJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc5ccccc5nc4s3)c2)n1 ZINC000226095794 568694216 /nfs/dbraw/zinc/69/42/16/568694216.db2.gz HFTZUQGIFQVYOX-UHFFFAOYSA-N -1 3 412.474 4.761 40 0 HJABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000010330215 569343823 /nfs/dbraw/zinc/34/38/23/569343823.db2.gz XSCRUMKRZVCJBH-UHFFFAOYSA-N -1 3 422.550 4.930 40 0 HJABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000010335889 569343973 /nfs/dbraw/zinc/34/39/73/569343973.db2.gz XAZHMNCLUDKWPU-UHFFFAOYSA-N -1 3 422.550 4.984 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000008868088 569390736 /nfs/dbraw/zinc/39/07/36/569390736.db2.gz UATSXNGJSNRLHJ-HBMCJLEFSA-N -1 3 422.843 4.530 40 0 HJABHM COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc([O-])c1O2 ZINC000000606756 291276234 /nfs/dbraw/zinc/27/62/34/291276234.db2.gz NUYFKDBCHFKOBT-LJQANCHMSA-N -1 3 414.454 4.822 40 0 biogenic,in-vitro HJABHM CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896761 557113466 /nfs/dbraw/zinc/11/34/66/557113466.db2.gz NITMZVBEIHOIHG-HZPDHXFCSA-N -1 3 424.570 4.705 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccccc1 ZINC000408556285 557452532 /nfs/dbraw/zinc/45/25/32/557452532.db2.gz HKIXCWMWPOGQIB-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408559009 557456455 /nfs/dbraw/zinc/45/64/55/557456455.db2.gz VALDUQGNUHCZEL-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Sc2ccccc2O3)cc1 ZINC000005481062 557656590 /nfs/dbraw/zinc/65/65/90/557656590.db2.gz PUIYSTPKDSNULT-UHFFFAOYSA-N -1 3 412.492 4.703 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)CC ZINC000408698819 557715744 /nfs/dbraw/zinc/71/57/44/557715744.db2.gz SBTLFDFYNWRXSH-UHFFFAOYSA-N -1 3 404.532 4.666 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000010009805 557853679 /nfs/dbraw/zinc/85/36/79/557853679.db2.gz RCNVMQPBAIQKRW-UHFFFAOYSA-N -1 3 422.550 4.902 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cc(C)ccc3C)cc2)c(C)c1 ZINC000020495865 558380403 /nfs/dbraw/zinc/38/04/03/558380403.db2.gz FPPLMAZAJCVGLI-UHFFFAOYSA-N -1 3 422.550 4.902 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c1 ZINC000101000634 558824887 /nfs/dbraw/zinc/82/48/87/558824887.db2.gz CZNJUCWEUUULRC-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1 ZINC000101056839 558825919 /nfs/dbraw/zinc/82/59/19/558825919.db2.gz WNDKNSZFOUQZQR-VSKRKVRLSA-N -1 3 418.880 4.700 40 0 HJABHM CC(C)[C@H](NCc1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019445669 558885778 /nfs/dbraw/zinc/88/57/78/558885778.db2.gz GBYMQTPYFNAXPJ-IBGZPJMESA-N -1 3 403.313 4.626 40 0 HJABHM O=C(c1cccc([O-])c1)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 ZINC000585105837 559028047 /nfs/dbraw/zinc/02/80/47/559028047.db2.gz SGNPWRURWDBSHX-UHFFFAOYSA-N -1 3 403.453 4.907 40 0 HJABHM CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1[O-] ZINC000409121489 560679708 /nfs/dbraw/zinc/67/97/08/560679708.db2.gz YAGJHVLZUXUMOO-UHFFFAOYSA-N -1 3 417.674 4.969 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc(C)c1[O-])N2 ZINC000409364590 560715249 /nfs/dbraw/zinc/71/52/49/560715249.db2.gz XPWWXZDDODFYTR-IAMHBRQHSA-N -1 3 412.452 4.616 40 0 HJABHM CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1[O-] ZINC000409411742 560721673 /nfs/dbraw/zinc/72/16/73/560721673.db2.gz KTXOHDADKIAFJD-UHFFFAOYSA-N -1 3 423.325 4.708 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F)c1ccccc1Cl ZINC000008810373 560756298 /nfs/dbraw/zinc/75/62/98/560756298.db2.gz GTSWEBUHOKSGSV-UHFFFAOYSA-N -1 3 422.840 4.671 40 0 HJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000012484476 560781029 /nfs/dbraw/zinc/78/10/29/560781029.db2.gz LAJZSVNELRPEBJ-CAOOACKPSA-N -1 3 422.506 4.538 40 0 HJABHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]CCOc1ccc2ccccc2c1 ZINC000223612564 568553303 /nfs/dbraw/zinc/55/33/03/568553303.db2.gz IPHZXWVGMDLGQO-UHFFFAOYSA-N -1 3 410.322 4.645 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c(C)c1C ZINC000223651127 568555041 /nfs/dbraw/zinc/55/50/41/568555041.db2.gz MNEXTZHEKGRWBB-UHFFFAOYSA-N -1 3 404.713 4.529 40 0 HJABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CC1 ZINC000224595627 568587221 /nfs/dbraw/zinc/58/72/21/568587221.db2.gz SZNHQWONXHXBEH-FCHUYYIVSA-N -1 3 404.539 4.718 40 0 HJABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C(C)C ZINC000224599831 568587332 /nfs/dbraw/zinc/58/73/32/568587332.db2.gz IOLMIEAIRWXGDM-VXKWHMMOSA-N -1 3 406.555 4.964 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000224610824 568588034 /nfs/dbraw/zinc/58/80/34/568588034.db2.gz ODFVBHZEKMFNMR-GOTSBHOMSA-N -1 3 412.518 4.755 40 0 HJABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(C)c1 ZINC000225055487 568611658 /nfs/dbraw/zinc/61/16/58/568611658.db2.gz GPTIOQQRBKMUPR-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(Cc4ccccc4Cl)CC3)n2)n1 ZINC000257234545 568786213 /nfs/dbraw/zinc/78/62/13/568786213.db2.gz GUBPIFTYAMELFI-UHFFFAOYSA-N -1 3 408.937 4.660 40 0 HJABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@@H]21 ZINC000257296773 568803627 /nfs/dbraw/zinc/80/36/27/568803627.db2.gz REIMEYPPWOHJBX-LCKKVJLRSA-N -1 3 407.510 4.524 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000208500316 569355845 /nfs/dbraw/zinc/35/58/45/569355845.db2.gz FOGLJUBEGBRTGF-GDNBJRDFSA-N -1 3 420.284 4.794 40 0 HJABHM COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])cs2)cc1 ZINC000032598092 525405069 /nfs/dbraw/zinc/40/50/69/525405069.db2.gz IGJQDYJJRLWQSH-OAQYLSRUSA-N -1 3 401.491 4.629 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2Cl)cc1 ZINC000044947478 525602892 /nfs/dbraw/zinc/60/28/92/525602892.db2.gz GCCGFYXKAHBAEW-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408559290 557456616 /nfs/dbraw/zinc/45/66/16/557456616.db2.gz WKHFAFVISPWYIX-UHFFFAOYSA-N -1 3 412.467 4.848 40 0 HJABHM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(=O)(=O)CC)cc3)ccc21 ZINC000408701810 557725431 /nfs/dbraw/zinc/72/54/31/557725431.db2.gz GCKRIZXDLCZRQW-UHFFFAOYSA-N -1 3 421.522 4.828 40 0 HJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1c(Cl)cccc1Cl ZINC000019937623 558312523 /nfs/dbraw/zinc/31/25/23/558312523.db2.gz UGKPKLAFLKACKG-UHFFFAOYSA-N -1 3 408.672 4.578 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2Cl)cc1 ZINC000020457253 558370504 /nfs/dbraw/zinc/37/05/04/558370504.db2.gz DDJKWUJKUJIRPW-UHFFFAOYSA-N -1 3 406.935 4.512 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccs1 ZINC000101030021 558825276 /nfs/dbraw/zinc/82/52/76/558825276.db2.gz BSNNENDIYSJYIY-AABGKKOBSA-N -1 3 424.909 4.761 40 0 HJABHM Cc1c2cc(C)ccc2oc1CN[C@H](c1cc(=O)[n-]c(-c2cccnc2)n1)C(C)C ZINC000019220512 558851641 /nfs/dbraw/zinc/85/16/41/558851641.db2.gz JMBUHPSKSACYBA-QHCPKHFHSA-N -1 3 402.498 4.682 40 0 HJABHM O=C([N-]c1nnc(CCc2ccccc2)s1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019655025 558948415 /nfs/dbraw/zinc/94/84/15/558948415.db2.gz IINRUKCQYZBXNS-UHFFFAOYSA-N -1 3 421.913 4.686 40 0 HJABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@@H]3C[C@@H]21 ZINC000585262346 559110902 /nfs/dbraw/zinc/11/09/02/559110902.db2.gz REIMEYPPWOHJBX-XHRGMSINSA-N -1 3 407.510 4.524 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000409007364 560664757 /nfs/dbraw/zinc/66/47/57/560664757.db2.gz POBKFFHWDZFJRW-ATVHPVEESA-N -1 3 403.887 4.723 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(OC)cc1)N2 ZINC000409341147 560711453 /nfs/dbraw/zinc/71/14/53/560711453.db2.gz CZPGZAIVUHTCOX-PTSWNOGYSA-N -1 3 412.452 4.610 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1Br ZINC000014411207 560845821 /nfs/dbraw/zinc/84/58/21/560845821.db2.gz YEWPSUQZDLTNAD-UHFFFAOYSA-N -1 3 411.104 4.565 40 0 HJABHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000016101188 560859771 /nfs/dbraw/zinc/85/97/71/560859771.db2.gz ANXAUTLIELXXJL-UHFFFAOYSA-N -1 3 411.104 4.565 40 0 HJABHM COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1[N-]C(=O)c1ccco1 ZINC000000778410 568417282 /nfs/dbraw/zinc/41/72/82/568417282.db2.gz AJYZFKPNKLRJOI-UHFFFAOYSA-N -1 3 418.858 4.594 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c(C)c1 ZINC000005092015 568433228 /nfs/dbraw/zinc/43/32/28/568433228.db2.gz GRSVHQCKZAIOBQ-XWGVYQGASA-N -1 3 412.489 4.663 40 0 HJABHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]CCOc1cccc2ccccc21 ZINC000223541878 568551274 /nfs/dbraw/zinc/55/12/74/568551274.db2.gz HEEDYQSIAZNXIH-UHFFFAOYSA-N -1 3 410.322 4.645 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCCC3)cc2Cl)cc1 ZINC000224411485 568580601 /nfs/dbraw/zinc/58/06/01/568580601.db2.gz KGCLZRROGHHGBW-UHFFFAOYSA-N -1 3 420.962 4.759 40 0 HJABHM Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])s1 ZINC000224859163 568600806 /nfs/dbraw/zinc/60/08/06/568600806.db2.gz HISSMYDEDKSZCN-ZWKOTPCHSA-N -1 3 401.944 4.988 40 0 HJABHM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)c1 ZINC000059475329 568707307 /nfs/dbraw/zinc/70/73/07/568707307.db2.gz DFWLVLYBRSLZJX-UHFFFAOYSA-N -1 3 416.506 4.679 40 0 HJABHM O=C([O-])c1cccc(CN2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 ZINC000257283299 568799584 /nfs/dbraw/zinc/79/95/84/568799584.db2.gz OXSCZIJXOLHOHN-IBGZPJMESA-N -1 3 410.901 4.997 40 0 HJABHM COCCC(=O)N[C@@]1(C)C[C@H](c2cc(F)ccc2[O-])O[C@H](c2cccc(Cl)c2)C1 ZINC000257306912 568806451 /nfs/dbraw/zinc/80/64/51/568806451.db2.gz SWOCLMKFJIPWBX-TUNNFDKTSA-N -1 3 421.896 4.689 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2Cl)cc1 ZINC000044885942 525602997 /nfs/dbraw/zinc/60/29/97/525602997.db2.gz BTOJFWYCLJXAOA-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM O=C(Cc1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1[O-] ZINC000021982292 527244400 /nfs/dbraw/zinc/24/44/00/527244400.db2.gz OWTDXASPDWYLTG-ZEQRLZLVSA-N -1 3 412.482 4.628 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc2ccccc2o1 ZINC000408622870 557548748 /nfs/dbraw/zinc/54/87/48/557548748.db2.gz WNPFFTVCMAMGAT-UHFFFAOYSA-N -1 3 410.426 4.625 40 0 HJABHM CC(C)(C)C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000408624891 557548943 /nfs/dbraw/zinc/54/89/43/557548943.db2.gz DFSBLSSEBZFJJT-UHFFFAOYSA-N -1 3 403.891 4.713 40 0 HJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408627060 557559999 /nfs/dbraw/zinc/55/99/99/557559999.db2.gz XTAHKFHKRFPFFV-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM O=C(CSC1=N[C@@H](c2ccccc2)CC(=O)[N-]1)N(c1ccccc1)c1ccccc1 ZINC000004813606 557601074 /nfs/dbraw/zinc/60/10/74/557601074.db2.gz JUWLEVQVCXUKOQ-OAQYLSRUSA-N -1 3 415.518 4.702 40 0 HJABHM CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1[O-] ZINC000006394953 557701160 /nfs/dbraw/zinc/70/11/60/557701160.db2.gz ZHSOMDCGUJIHFH-OWMRDYPQSA-N -1 3 404.919 4.606 40 0 HJABHM O=C1[N-][C@@H](c2cccc(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408735176 557801888 /nfs/dbraw/zinc/80/18/88/557801888.db2.gz LBNVMHPKDMWYLJ-AWEZNQCLSA-N -1 3 418.341 4.885 40 0 HJABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Br)cc1 ZINC000020029954 558323917 /nfs/dbraw/zinc/32/39/17/558323917.db2.gz UWBLRSHQFHMQOM-LLVKDONJSA-N -1 3 418.740 4.541 40 0 HJABHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)Cc3ccc(C(=O)OC)cc3)ccc21 ZINC000020455031 558368897 /nfs/dbraw/zinc/36/88/97/558368897.db2.gz LLFPCZVYIZKVOV-UHFFFAOYSA-N -1 3 422.506 4.543 40 0 HJABHM O=C(NCCC1=CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020490989 558377977 /nfs/dbraw/zinc/37/79/77/558377977.db2.gz PHGHAIKXPRFUFQ-UHFFFAOYSA-N -1 3 418.946 4.761 40 0 HJABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000030862840 558742077 /nfs/dbraw/zinc/74/20/77/558742077.db2.gz QYEUEJUYQPMBBI-UHFFFAOYSA-N -1 3 408.523 4.594 40 0 HJABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000038772236 558815355 /nfs/dbraw/zinc/81/53/55/558815355.db2.gz JUNJLFNVBBUUEM-UHFFFAOYSA-N -1 3 417.870 4.720 40 0 HJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000101047489 558825773 /nfs/dbraw/zinc/82/57/73/558825773.db2.gz FSNRYIANYKCYPE-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM [O-]c1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 ZINC000090713396 559069099 /nfs/dbraw/zinc/06/90/99/559069099.db2.gz RVOUIKOXCBVEQP-UHFFFAOYSA-N -1 3 404.473 4.886 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102706092 559152070 /nfs/dbraw/zinc/15/20/70/559152070.db2.gz UTTZDGLCMGGDLF-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(OC)cc1)N2 ZINC000409341146 560711447 /nfs/dbraw/zinc/71/14/47/560711447.db2.gz CZPGZAIVUHTCOX-KKVAFCGZSA-N -1 3 412.452 4.610 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(OC)c1)N2 ZINC000409366126 560715411 /nfs/dbraw/zinc/71/54/11/560715411.db2.gz YXESSMWWTOFKLA-IIMJZQEZSA-N -1 3 412.452 4.610 40 0 HJABHM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1ccc(Br)s1 ZINC000013938984 560830678 /nfs/dbraw/zinc/83/06/78/560830678.db2.gz FYDFSKNJWJJODN-UHFFFAOYSA-N -1 3 408.342 4.579 40 0 HJABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000017091077 560865823 /nfs/dbraw/zinc/86/58/23/560865823.db2.gz MSQWRIJRUGOORZ-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM C[C@@]12C(=O)N(c3ccc(Cl)cc3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004957697 568427287 /nfs/dbraw/zinc/42/72/87/568427287.db2.gz JMURSCATIIKWMK-LGVFNWMJSA-N -1 3 418.880 4.781 40 0 HJABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000005066827 568432172 /nfs/dbraw/zinc/43/21/72/568432172.db2.gz GRYBUPGQWXZFDB-SMIHKQSGSA-N -1 3 412.489 4.609 40 0 HJABHM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000223436377 568548902 /nfs/dbraw/zinc/54/89/02/568548902.db2.gz MDDQEDBMMOIBQU-UHFFFAOYSA-N -1 3 410.717 4.764 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1 ZINC000224058068 568568208 /nfs/dbraw/zinc/56/82/08/568568208.db2.gz SFFXPRDLXUDIGZ-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)cc1 ZINC000224563620 568585386 /nfs/dbraw/zinc/58/53/86/568585386.db2.gz GBTURACZAKDSRN-UHFFFAOYSA-N -1 3 424.522 4.835 40 0 HJABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C(C)C ZINC000224599731 568587296 /nfs/dbraw/zinc/58/72/96/568587296.db2.gz IOLMIEAIRWXGDM-YADHBBJMSA-N -1 3 406.555 4.964 40 0 HJABHM COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c([O-])ccc5ccccc54)OCC[C@]13C2 ZINC000257338602 568815636 /nfs/dbraw/zinc/81/56/36/568815636.db2.gz YYDWDQSJDBTBIZ-IVQNWTLBSA-N -1 3 423.553 4.581 40 0 HJABHM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000408559358 557456698 /nfs/dbraw/zinc/45/66/98/557456698.db2.gz WPDRHLKFRUNBHA-UHFFFAOYSA-N -1 3 422.812 4.728 40 0 HJABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 ZINC000408559824 557457354 /nfs/dbraw/zinc/45/73/54/557457354.db2.gz ZGIJBUOIBPINGA-UHFFFAOYSA-N -1 3 424.522 4.619 40 0 HJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000408562474 557460917 /nfs/dbraw/zinc/46/09/17/557460917.db2.gz PWPJTTWDORTDMN-UHFFFAOYSA-N -1 3 403.548 4.704 40 0 HJABHM CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1[O-] ZINC000408605917 557518124 /nfs/dbraw/zinc/51/81/24/557518124.db2.gz HIIFUSBZJSSOAI-UHFFFAOYSA-N -1 3 421.637 4.800 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)CC ZINC000408699792 557718835 /nfs/dbraw/zinc/71/88/35/557718835.db2.gz ZIUZJFUHQSWZBN-UHFFFAOYSA-N -1 3 417.314 4.541 40 0 HJABHM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000022515359 558493760 /nfs/dbraw/zinc/49/37/60/558493760.db2.gz YVOZJNNVXSOESO-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c(C)c1 ZINC000014004414 558612598 /nfs/dbraw/zinc/61/25/98/558612598.db2.gz RQFACXHXYTYKKR-SFHVURJKSA-N -1 3 424.522 4.510 40 0 HJABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000030755113 558736883 /nfs/dbraw/zinc/73/68/83/558736883.db2.gz VTIZBUXVZHIMEF-UHFFFAOYSA-N -1 3 422.717 4.765 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101028598 558825252 /nfs/dbraw/zinc/82/52/52/558825252.db2.gz TXMYRMUHOJDGJQ-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000013752121 558864092 /nfs/dbraw/zinc/86/40/92/558864092.db2.gz QGBCDYBRZMPPGI-HWHRFOGPSA-N -1 3 406.526 4.890 40 0 HJABHM CC(C)[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019445667 558885697 /nfs/dbraw/zinc/88/56/97/558885697.db2.gz GBYMQTPYFNAXPJ-LJQANCHMSA-N -1 3 403.313 4.626 40 0 HJABHM Cc1c2cc(F)ccc2[nH]c1CN1CCC(c2cc(=O)[n-]c(-c3ccncc3)n2)CC1 ZINC000019565488 558925483 /nfs/dbraw/zinc/92/54/83/558925483.db2.gz RCQCPWSOHXTMFV-UHFFFAOYSA-N -1 3 417.488 4.553 40 0 HJABHM CCc1nnc([N-]c2cccc([C@@H]3CCCN(Cc4cccc(OC)c4)C3)n2)s1 ZINC000072375967 558965093 /nfs/dbraw/zinc/96/50/93/558965093.db2.gz ZVJCXTZJPVXVES-QGZVFWFLSA-N -1 3 409.559 4.627 40 0 HJABHM CCc1nnc([N-]c2cccc(C3CCN(Cc4cccc(OC)c4)CC3)n2)s1 ZINC000072376141 558965403 /nfs/dbraw/zinc/96/54/03/558965403.db2.gz OPEBDBZKIZWUNS-UHFFFAOYSA-N -1 3 409.559 4.627 40 0 HJABHM CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000095483639 560558242 /nfs/dbraw/zinc/55/82/42/560558242.db2.gz FNBXZQRPOLLYGF-FHWLQOOXSA-N -1 3 419.308 4.718 40 0 HJABHM O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000408838468 560646262 /nfs/dbraw/zinc/64/62/62/560646262.db2.gz FOWBDOWMLLGEGH-AWNIVKPZSA-N -1 3 413.054 4.806 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000409097536 560676023 /nfs/dbraw/zinc/67/60/23/560676023.db2.gz OCRKKJGLKSIYKH-DFHBCGBQSA-N -1 3 402.844 4.865 40 0 HJABHM O=C1S/C(=C/c2cc(Br)ccc2[O-])C(=O)N1CCCc1ccccc1 ZINC000409133014 560681985 /nfs/dbraw/zinc/68/19/85/560681985.db2.gz QAFNWURQBFJYMS-SFQUDFHCSA-N -1 3 418.312 4.824 40 0 HJABHM CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1[O-] ZINC000409412157 560721814 /nfs/dbraw/zinc/72/18/14/560721814.db2.gz SHPDJLRKVITIKH-UHFFFAOYSA-N -1 3 404.495 4.555 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000014399980 560842224 /nfs/dbraw/zinc/84/22/24/560842224.db2.gz DSUSWSAJGBPYNS-GOSISDBHSA-N -1 3 424.522 4.510 40 0 HJABHM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc([O-])c(Br)c3)N21 ZINC000222665831 568522731 /nfs/dbraw/zinc/52/27/31/568522731.db2.gz IHYPZFSBNFQPAP-JCURWCKSSA-N -1 3 404.333 4.529 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC3)c(Cl)c1Cl ZINC000223177516 568540224 /nfs/dbraw/zinc/54/02/24/568540224.db2.gz JOOOADBPOBWHOX-LLVKDONJSA-N -1 3 400.327 4.530 40 0 HJABHM Cc1ccc2c(c1)OC1(CCN(Cc3ccccc3C(=O)[O-])CC1)[C@H]1CCCO[C@H]21 ZINC000257210686 568779113 /nfs/dbraw/zinc/77/91/13/568779113.db2.gz BVRYMXHTDMDELE-JTHBVZDNSA-N -1 3 407.510 4.588 40 0 HJABHM O=C([O-])c1cccc(CN2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 ZINC000257342790 568817084 /nfs/dbraw/zinc/81/70/84/568817084.db2.gz ZQEBGCCSHPDFNC-LJQANCHMSA-N -1 3 410.901 4.997 40 0 HJABHM CCc1ccc(N2C(=O)/C(=C\c3c([O-])ccc4ccccc43)C(C(=O)OC)=C2C)cc1 ZINC000008085556 569339332 /nfs/dbraw/zinc/33/93/32/569339332.db2.gz ZWKHQUIRHCWVSD-JCMHNJIXSA-N -1 3 413.473 4.985 40 0 HJABHM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])cs2)cc1 ZINC000032598087 525238684 /nfs/dbraw/zinc/23/86/84/525238684.db2.gz IGJQDYJJRLWQSH-NRFANRHFSA-N -1 3 401.491 4.629 40 0 HJABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[O-])nnc2-c2ccccc2)cc1 ZINC000000900577 557114213 /nfs/dbraw/zinc/11/42/13/557114213.db2.gz RGWYZKDCTMBNBU-UHFFFAOYSA-N -1 3 416.506 4.679 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000011647855 558264762 /nfs/dbraw/zinc/26/47/62/558264762.db2.gz RSRQIDDCUJADJA-UHFFFAOYSA-N -1 3 424.566 4.778 40 0 HJABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000013713509 558577372 /nfs/dbraw/zinc/57/73/72/558577372.db2.gz GRYBUPGQWXZFDB-SGNDLWITSA-N -1 3 412.489 4.609 40 0 HJABHM CCc1ccc(OCC(=O)[N-]C(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000016162003 558774817 /nfs/dbraw/zinc/77/48/17/558774817.db2.gz MIROYKXYGZUWHY-UHFFFAOYSA-N -1 3 419.959 4.713 40 0 HJABHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c(C)c1C ZINC000016807798 558807821 /nfs/dbraw/zinc/80/78/21/558807821.db2.gz INOJSZCZASZVJJ-UHFFFAOYSA-N -1 3 421.522 4.736 40 0 HJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000101047498 558825819 /nfs/dbraw/zinc/82/58/19/558825819.db2.gz FSNRYIANYKCYPE-VSKRKVRLSA-N -1 3 418.880 4.700 40 0 HJABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013757640 558865496 /nfs/dbraw/zinc/86/54/96/558865496.db2.gz XMMKDNVRLXROGB-DHWLSRIRSA-N -1 3 410.489 4.721 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)c1 ZINC000100626370 559137115 /nfs/dbraw/zinc/13/71/15/559137115.db2.gz FNZHQOGUUKMVSU-ZCNNSNEGSA-N -1 3 424.909 4.761 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102759510 559152642 /nfs/dbraw/zinc/15/26/42/559152642.db2.gz BLRJGWCBCDORJS-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Cl)c1)N2 ZINC000409101636 560677160 /nfs/dbraw/zinc/67/71/60/560677160.db2.gz WVOQTIMGIAZIQD-DFHBCGBQSA-N -1 3 402.844 4.865 40 0 HJABHM COc1cc(CNc2cccc(Cl)c2C)cc(I)c1[O-] ZINC000409111418 560677977 /nfs/dbraw/zinc/67/79/77/560677977.db2.gz IQTWDLQGIWEGOE-UHFFFAOYSA-N -1 3 403.647 4.579 40 0 HJABHM COc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1[O-] ZINC000409114438 560680163 /nfs/dbraw/zinc/68/01/63/560680163.db2.gz HONQAAZKRBXJFH-UHFFFAOYSA-N -1 3 403.647 4.579 40 0 HJABHM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccc(Br)cc23)S1 ZINC000409138916 560682978 /nfs/dbraw/zinc/68/29/78/560682978.db2.gz JURSQSNVOFEGME-IUXPMGMMSA-N -1 3 413.296 4.776 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(F)c1)N2 ZINC000409364671 560715237 /nfs/dbraw/zinc/71/52/37/560715237.db2.gz XVWXMPPTVYAGEZ-WTANOLMUSA-N -1 3 400.416 4.741 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc(C)c1[O-])N2 ZINC000409364599 560715258 /nfs/dbraw/zinc/71/52/58/560715258.db2.gz XPWWXZDDODFYTR-WAWZGNHOSA-N -1 3 412.452 4.616 40 0 HJABHM CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1[O-] ZINC000409411592 560721638 /nfs/dbraw/zinc/72/16/38/560721638.db2.gz JYRDYQRBHLIDPK-UHFFFAOYSA-N -1 3 423.325 4.708 40 0 HJABHM C[C@@]12C(=O)N(c3ccc(Cl)cc3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004957691 568427253 /nfs/dbraw/zinc/42/72/53/568427253.db2.gz JMURSCATIIKWMK-IMSXRSKXSA-N -1 3 418.880 4.781 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)c1 ZINC000005119282 568437634 /nfs/dbraw/zinc/43/76/34/568437634.db2.gz GLTQFBFWISJYOZ-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)c(C)c1 ZINC000101220829 568501840 /nfs/dbraw/zinc/50/18/40/568501840.db2.gz HFOLDOQWPQYRAR-SMIHKQSGSA-N -1 3 412.489 4.663 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000222918483 568530759 /nfs/dbraw/zinc/53/07/59/568530759.db2.gz SLDPBQOZYDMNJL-NRFANRHFSA-N -1 3 401.915 4.725 40 0 HJABHM CSc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)C(C)C ZINC000223057724 568536009 /nfs/dbraw/zinc/53/60/09/568536009.db2.gz OVGZXMGUICOYEC-UHFFFAOYSA-N -1 3 406.573 4.729 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)c(C)cc2C)c(Cl)c1Cl ZINC000223422339 568548495 /nfs/dbraw/zinc/54/84/95/568548495.db2.gz PSZPDVFRJQDMCK-ZDUSSCGKSA-N -1 3 402.343 4.967 40 0 HJABHM O=C(NCCC1CCCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223963501 568564687 /nfs/dbraw/zinc/56/46/87/568564687.db2.gz GGVQMOAJNDPJNC-UHFFFAOYSA-N -1 3 418.534 4.717 40 0 HJABHM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224541453 568584235 /nfs/dbraw/zinc/58/42/35/568584235.db2.gz AVZNVFNVLIGMMH-XNTDXEJSSA-N -1 3 410.470 4.587 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224598571 568587062 /nfs/dbraw/zinc/58/70/62/568587062.db2.gz YXTXYNPKKLQRCK-FGZHOGPDSA-N -1 3 404.539 4.881 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224621082 568588549 /nfs/dbraw/zinc/58/85/49/568588549.db2.gz DWDJREMLMBORBV-FGZHOGPDSA-N -1 3 404.539 4.881 40 0 HJABHM C[C@@H](NC[C@@H](O)C[P@](=O)([O-])CC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000033605730 569284416 /nfs/dbraw/zinc/28/44/16/569284416.db2.gz JGGVBBYJRQOPPA-CZUORRHYSA-N -1 3 408.306 4.856 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c(C)c1 ZINC000028206840 569350078 /nfs/dbraw/zinc/35/00/78/569350078.db2.gz WTDRPTATKJLIFF-SFHVURJKSA-N -1 3 420.534 4.696 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009428384 569392813 /nfs/dbraw/zinc/39/28/13/569392813.db2.gz LWGQZJYYCUEDKM-GVAUOCQISA-N -1 3 420.468 4.891 40 0 HJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408617834 557534500 /nfs/dbraw/zinc/53/45/00/557534500.db2.gz DKICCFNYSTWPNH-UHFFFAOYSA-N -1 3 414.571 4.765 40 0 HJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408626756 557559823 /nfs/dbraw/zinc/55/98/23/557559823.db2.gz WORVYIASLPDJKD-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM COC(=O)c1cc(C(C)C)cc(Cc2cc(C(C)C)cc(C(=O)OC)c2O)c1[O-] ZINC000005633546 557665931 /nfs/dbraw/zinc/66/59/31/557665931.db2.gz QCPHJCDLCRAAGM-UHFFFAOYSA-N -1 3 400.471 4.509 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)cc1 ZINC000408682587 557696061 /nfs/dbraw/zinc/69/60/61/557696061.db2.gz ZOEPZRURCXXIEG-UHFFFAOYSA-N -1 3 424.522 4.835 40 0 HJABHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000020111036 558335865 /nfs/dbraw/zinc/33/58/65/558335865.db2.gz FFFWTPQIGULVPE-ZDUSSCGKSA-N -1 3 408.951 4.500 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000013749281 558863569 /nfs/dbraw/zinc/86/35/69/558863569.db2.gz CNTPOBMIWIPEHC-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000013752125 558864012 /nfs/dbraw/zinc/86/40/12/558864012.db2.gz QGBCDYBRZMPPGI-QQUTXWOLSA-N -1 3 406.526 4.890 40 0 HJABHM O=C(c1cccc([O-])c1)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 ZINC000585105833 559028041 /nfs/dbraw/zinc/02/80/41/559028041.db2.gz RYPKPAXYYHKKLB-UHFFFAOYSA-N -1 3 403.453 4.907 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102759505 559152583 /nfs/dbraw/zinc/15/25/83/559152583.db2.gz BLRJGWCBCDORJS-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM O=C(CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1)c1ccccc1 ZINC000001223705 560572311 /nfs/dbraw/zinc/57/23/11/560572311.db2.gz HJZBCFIBFSSEPQ-UHFFFAOYSA-N -1 3 415.518 4.868 40 0 HJABHM COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1[O-] ZINC000408815702 560644416 /nfs/dbraw/zinc/64/44/16/560644416.db2.gz UBABKFKFTSQHMG-UHFFFAOYSA-N -1 3 410.302 4.779 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000409097548 560676027 /nfs/dbraw/zinc/67/60/27/560676027.db2.gz OCRKKJGLKSIYKH-UVBSCNOISA-N -1 3 402.844 4.865 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000106701790 560745449 /nfs/dbraw/zinc/74/54/49/560745449.db2.gz BLSJLKZETBNCEU-YVLHZVERSA-N -1 3 403.887 4.989 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)Nc1cccc(Cl)c1 ZINC000224566759 568585617 /nfs/dbraw/zinc/58/56/17/568585617.db2.gz VTODASBPOLBKEC-UHFFFAOYSA-N -1 3 419.865 4.924 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224598473 568587159 /nfs/dbraw/zinc/58/71/59/568587159.db2.gz YXTXYNPKKLQRCK-YADHBBJMSA-N -1 3 404.539 4.881 40 0 HJABHM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2sc1=O ZINC000225727096 568668622 /nfs/dbraw/zinc/66/86/22/568668622.db2.gz VWBMGKRUDGLHRN-UHFFFAOYSA-N -1 3 417.339 4.581 40 0 HJABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@H]3C[C@H]21 ZINC000257267932 568795066 /nfs/dbraw/zinc/79/50/66/568795066.db2.gz MJMYRERQYSEBQY-LPOZWGFCSA-N -1 3 407.510 4.524 40 0 HJABHM O=C([O-])c1cccc(CN2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 ZINC000257283300 568799478 /nfs/dbraw/zinc/79/94/78/568799478.db2.gz OXSCZIJXOLHOHN-LJQANCHMSA-N -1 3 410.901 4.997 40 0 HJABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@H]21 ZINC000257296774 568803543 /nfs/dbraw/zinc/80/35/43/568803543.db2.gz REIMEYPPWOHJBX-LPOZWGFCSA-N -1 3 407.510 4.524 40 0 HJABHM COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c([O-])ccc5ccccc54)OCC[C@@]31C2 ZINC000257338603 568815582 /nfs/dbraw/zinc/81/55/82/568815582.db2.gz YYDWDQSJDBTBIZ-LJVAGBETSA-N -1 3 423.553 4.581 40 0 HJABHM Cc1ccc(C(=O)CC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008475330 569341268 /nfs/dbraw/zinc/34/12/68/569341268.db2.gz AQHNYCHVLFDWMU-QHCPKHFHSA-N -1 3 406.503 4.602 40 0 HJABHM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000010039341 569342708 /nfs/dbraw/zinc/34/27/08/569342708.db2.gz UFRYGSKGHQFUMJ-XNTDXEJSSA-N -1 3 412.898 4.793 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1ccccc1 ZINC000408554116 557451063 /nfs/dbraw/zinc/45/10/63/557451063.db2.gz ZNMXTARPSGPLEU-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccccc1C ZINC000408557163 557453961 /nfs/dbraw/zinc/45/39/61/557453961.db2.gz LQXVRTYODHRLLC-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccccc1 ZINC000408559763 557457189 /nfs/dbraw/zinc/45/71/89/557457189.db2.gz YQRCECUSXZLXEC-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000408563605 557470361 /nfs/dbraw/zinc/47/03/61/557470361.db2.gz PVNRSGVBNFRZJG-WIYYLYMNSA-N -1 3 424.463 4.752 40 0 HJABHM CCOc1ccc2nc([N-]C(=O)c3c(F)c(F)c(OC)c(F)c3F)sc2c1 ZINC000408621249 557546282 /nfs/dbraw/zinc/54/62/82/557546282.db2.gz KXXUOKCUTKUCJA-UHFFFAOYSA-N -1 3 400.353 4.512 40 0 HJABHM O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006406467 557701556 /nfs/dbraw/zinc/70/15/56/557701556.db2.gz HGYFXTJLGKMKRA-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000408695190 557709956 /nfs/dbraw/zinc/70/99/56/557709956.db2.gz MRXAXOTWCBYJPG-SFHVURJKSA-N -1 3 424.522 4.510 40 0 HJABHM O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020488610 558377186 /nfs/dbraw/zinc/37/71/86/558377186.db2.gz OIZKDTWYTSVEMD-UHFFFAOYSA-N -1 3 406.935 4.593 40 0 HJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000015438954 558740060 /nfs/dbraw/zinc/74/00/60/558740060.db2.gz IQIIMDLRYIJALC-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101028635 558825231 /nfs/dbraw/zinc/82/52/31/558825231.db2.gz MUTCSHDRYWFKDV-DSITVLBTSA-N -1 3 420.468 4.891 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(F)cc1 ZINC000018091277 558830992 /nfs/dbraw/zinc/83/09/92/558830992.db2.gz GOYZKYVQWGNNAH-NJYVYQBISA-N -1 3 422.843 4.530 40 0 HJABHM CC(C)n1cc(CN2CCc3c(=O)[n-]c(N4CCC(C)CC4)nc3C2)c2ccccc21 ZINC000072335643 558936900 /nfs/dbraw/zinc/93/69/00/558936900.db2.gz XKHVBVNIFNXHSC-UHFFFAOYSA-N -1 3 419.573 4.512 40 0 HJABHM CCc1nnc([N-]c2cccc([C@H]3CCCN(Cc4cccc(OC)c4)C3)n2)s1 ZINC000072375968 558965055 /nfs/dbraw/zinc/96/50/55/558965055.db2.gz ZVJCXTZJPVXVES-KRWDZBQOSA-N -1 3 409.559 4.627 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000102759874 559152637 /nfs/dbraw/zinc/15/26/37/559152637.db2.gz CGTHHUAWOJLGOO-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000409097542 560676062 /nfs/dbraw/zinc/67/60/62/560676062.db2.gz OCRKKJGLKSIYKH-IAISJRAMSA-N -1 3 402.844 4.865 40 0 HJABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@@]2([O-])C(F)(F)F ZINC000409184904 560688870 /nfs/dbraw/zinc/68/88/70/560688870.db2.gz YRWRVIXKEKPKLW-IQVOZAENSA-N -1 3 402.416 4.853 40 0 HJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102750785 560731928 /nfs/dbraw/zinc/73/19/28/560731928.db2.gz AFZQLWRVIQBPGG-BHIFYINESA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000014153370 560839174 /nfs/dbraw/zinc/83/91/74/560839174.db2.gz MWGTVTJJZVFBCC-CXUHLZMHSA-N -1 3 406.507 4.756 40 0 HJABHM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ncccc3[O-])o2)cc1Cl ZINC000017089713 560864586 /nfs/dbraw/zinc/86/45/86/560864586.db2.gz FJYNZGXFYDYLQZ-VQHVLOKHSA-N -1 3 413.886 4.535 40 0 HJABHM CCSc1nnc([N-]C(=O)c2sc3nc4c(cc3c2N)CCCCCC4)s1 ZINC000004619217 560898696 /nfs/dbraw/zinc/89/86/96/560898696.db2.gz QDBSJVVUIMLICV-UHFFFAOYSA-N -1 3 419.601 4.753 40 0 HJABHM C[C@@]12C(=O)N(c3cccc(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004908922 568423065 /nfs/dbraw/zinc/42/30/65/568423065.db2.gz JRYISFBJRDAFHH-LGVFNWMJSA-N -1 3 418.880 4.781 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c(C)c1 ZINC000005092022 568433237 /nfs/dbraw/zinc/43/32/37/568433237.db2.gz GRSVHQCKZAIOBQ-QTJGBDASSA-N -1 3 412.489 4.663 40 0 HJABHM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc([O-])c(Br)c3)N21 ZINC000222665644 568522816 /nfs/dbraw/zinc/52/28/16/568522816.db2.gz IHYPZFSBNFQPAP-OAUYIBNBSA-N -1 3 404.333 4.529 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)c(Cl)c1Cl ZINC000222928333 568531228 /nfs/dbraw/zinc/53/12/28/568531228.db2.gz HXYHPAHRAFEBOW-LBPRGKRZSA-N -1 3 414.354 4.920 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1 ZINC000224057011 568568091 /nfs/dbraw/zinc/56/80/91/568568091.db2.gz VOKFQAOSBALVCQ-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(Cl)c1 ZINC000224406678 568580396 /nfs/dbraw/zinc/58/03/96/568580396.db2.gz HUEPONICZZZAHV-UHFFFAOYSA-N -1 3 414.870 4.863 40 0 HJABHM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc([O-])c(Br)c3)N21 ZINC000260763062 568737912 /nfs/dbraw/zinc/73/79/12/568737912.db2.gz IHYPZFSBNFQPAP-JLZZUVOBSA-N -1 3 404.333 4.529 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC(C)(C)C3)cc2Cl)cc1 ZINC000044848575 525597511 /nfs/dbraw/zinc/59/75/11/525597511.db2.gz JUOMUKFOUUKVON-UHFFFAOYSA-N -1 3 420.962 4.711 40 0 HJABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)c(C)c1 ZINC000001263849 557252611 /nfs/dbraw/zinc/25/26/11/557252611.db2.gz XMRDOBSXASIIJV-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(CC)cccc2CC)ccc1OCC ZINC000408588722 557494473 /nfs/dbraw/zinc/49/44/73/557494473.db2.gz YBXMOPNUBGXDPW-UHFFFAOYSA-N -1 3 420.531 4.579 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000408695189 557709927 /nfs/dbraw/zinc/70/99/27/557709927.db2.gz MRXAXOTWCBYJPG-GOSISDBHSA-N -1 3 424.522 4.510 40 0 HJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019937625 558312544 /nfs/dbraw/zinc/31/25/44/558312544.db2.gz WHXLJXXRGJJVHR-UHFFFAOYSA-N -1 3 408.672 4.578 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000030756705 558737358 /nfs/dbraw/zinc/73/73/58/558737358.db2.gz DMEPJDMYXXFKND-UHFFFAOYSA-N -1 3 416.886 4.756 40 0 HJABHM O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030850749 558739813 /nfs/dbraw/zinc/73/98/13/558739813.db2.gz GZQBIIJAQJCEEN-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101136942 559179397 /nfs/dbraw/zinc/17/93/97/559179397.db2.gz AFZQLWRVIQBPGG-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM COC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)sc1[N-]C(=O)c1ccco1 ZINC000000871532 560536173 /nfs/dbraw/zinc/53/61/73/560536173.db2.gz CXMQEXZJKZYOGH-UHFFFAOYSA-N -1 3 412.467 4.558 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Cl)c1)N2 ZINC000409101641 560677150 /nfs/dbraw/zinc/67/71/50/560677150.db2.gz WVOQTIMGIAZIQD-UVBSCNOISA-N -1 3 402.844 4.865 40 0 HJABHM Cc1c(C=O)c(-c2nc3ccccc3c(=O)[n-]2)c(C)n1-c1ccc(Br)cc1 ZINC000409250635 560702212 /nfs/dbraw/zinc/70/22/12/560702212.db2.gz MGYJXVFIYDSECE-UHFFFAOYSA-N -1 3 422.282 4.985 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1Cl ZINC000107636391 560750878 /nfs/dbraw/zinc/75/08/78/560750878.db2.gz WGHIYLGHERAIII-UHFFFAOYSA-N -1 3 400.205 4.822 40 0 HJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3[O-])nc2c1 ZINC000017093626 560868125 /nfs/dbraw/zinc/86/81/25/560868125.db2.gz RDBHUBHQVPGUEM-UHFFFAOYSA-N -1 3 423.519 4.951 40 0 HJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Cl)c2)c1 ZINC000005120075 568436202 /nfs/dbraw/zinc/43/62/02/568436202.db2.gz GVADMOBWKCUKNK-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1C ZINC000020765631 568458834 /nfs/dbraw/zinc/45/88/34/568458834.db2.gz RKAPJTRLRJXDMH-UHFFFAOYSA-N -1 3 420.534 4.697 40 0 HJABHM CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000223980532 568565225 /nfs/dbraw/zinc/56/52/25/568565225.db2.gz RZPZOYOGJYHGED-UHFFFAOYSA-N -1 3 402.343 4.648 40 0 HJABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CC1 ZINC000224595530 568586944 /nfs/dbraw/zinc/58/69/44/568586944.db2.gz SZNHQWONXHXBEH-FGZHOGPDSA-N -1 3 404.539 4.718 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000224610875 568588053 /nfs/dbraw/zinc/58/80/53/568588053.db2.gz ODFVBHZEKMFNMR-PKTZIBPZSA-N -1 3 412.518 4.755 40 0 HJABHM Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224858895 568600647 /nfs/dbraw/zinc/60/06/47/568600647.db2.gz OJNANMURXFWONR-SJORKVTESA-N -1 3 401.944 4.988 40 0 HJABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(Cl)c1 ZINC000224997812 568608019 /nfs/dbraw/zinc/60/80/19/568608019.db2.gz TUYHQWJXADDGKY-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM CCN1CCN(c2ccc(NC(=O)c3cc(C(C)C)ccc3[O-])cc2Cl)CC1 ZINC000257332159 568813766 /nfs/dbraw/zinc/81/37/66/568813766.db2.gz XVZSHCPVSHNXSM-UHFFFAOYSA-N -1 3 401.938 4.563 40 0 HJABHM O=C(Nc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000026780010 569047818 /nfs/dbraw/zinc/04/78/18/569047818.db2.gz SHEJCDLDXXYEGN-UHFFFAOYSA-N -1 3 419.865 4.924 40 0 HJABHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])o1)Nc1ccc(Cl)cc1 ZINC000000862979 569282350 /nfs/dbraw/zinc/28/23/50/569282350.db2.gz NYBWKVULHKLDOA-UHFFFAOYSA-N -1 3 411.870 4.980 40 0 HJABHM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc21 ZINC000225703470 519920246 /nfs/dbraw/zinc/92/02/46/519920246.db2.gz WHKFXRBRVOMPSP-UHFFFAOYSA-N -1 3 417.339 4.752 40 0 HJABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000044948053 522051207 /nfs/dbraw/zinc/05/12/07/522051207.db2.gz HMJPOAGPABFIAS-UHFFFAOYSA-N -1 3 413.520 4.566 40 0 HJABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000408554563 557444390 /nfs/dbraw/zinc/44/43/90/557444390.db2.gz CAUWDNAQRMYFEW-UHFFFAOYSA-N -1 3 424.522 4.619 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1ccccc1 ZINC000408559441 557456948 /nfs/dbraw/zinc/45/69/48/557456948.db2.gz XCRUGMYWAIMNLH-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM COc1ccc(C)cc1CC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019133044 558845807 /nfs/dbraw/zinc/84/58/07/558845807.db2.gz UZVLWIQUBUAHLO-LJQANCHMSA-N -1 3 423.538 4.524 40 0 HJABHM CCn1cc(-c2cc(C(=O)[N-]c3nc(-c4cc(C)c(OC)cc4C)cs3)no2)cn1 ZINC000019665075 558955398 /nfs/dbraw/zinc/95/53/98/558955398.db2.gz KNEISHHLXQWYQO-UHFFFAOYSA-N -1 3 423.498 4.559 40 0 HJABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409057130 560670525 /nfs/dbraw/zinc/67/05/25/560670525.db2.gz IUICRTWDGCNVTC-CFCCAZDESA-N -1 3 402.416 4.853 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Cl)c1)N2 ZINC000409101637 560677139 /nfs/dbraw/zinc/67/71/39/560677139.db2.gz WVOQTIMGIAZIQD-IAISJRAMSA-N -1 3 402.844 4.865 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Cl)c1[O-] 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COc1cc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035323527 558789992 /nfs/dbraw/zinc/78/99/92/558789992.db2.gz GNUUWQTWNIOKHE-XMMPIXPASA-N -1 3 411.461 4.849 40 0 HJABHM CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000069526187 558876790 /nfs/dbraw/zinc/87/67/90/558876790.db2.gz QPVRXQGFOBJTRJ-UHFFFAOYSA-N -1 3 416.499 4.601 40 0 HJABHM Cc1ccc(C(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)cc1 ZINC000001223740 560572317 /nfs/dbraw/zinc/57/23/17/560572317.db2.gz YKBDMQAKQLWOCP-UHFFFAOYSA-N -1 3 415.518 4.982 40 0 HJABHM COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(Br)cc1[O-] ZINC000409102175 560677371 /nfs/dbraw/zinc/67/73/71/560677371.db2.gz CZFOBIIIJLRWHM-WCIBSUBMSA-N -1 3 414.177 4.675 40 0 HJABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409171635 560686494 /nfs/dbraw/zinc/68/64/94/560686494.db2.gz BPPNMLJBOMBINP-MRXNPFEDSA-N -1 3 408.873 4.603 40 0 HJABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000409172124 560686695 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SCGXGZJWPMHRQW-CBGDNZLLSA-N -1 3 410.480 4.921 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000106707981 560745584 /nfs/dbraw/zinc/74/55/84/560745584.db2.gz AIOLLSYWEJSPKC-YVLHZVERSA-N -1 3 403.887 4.989 40 0 HJABHM CC(C)Oc1cccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000010543266 560770252 /nfs/dbraw/zinc/77/02/52/560770252.db2.gz RBQAGNPDPRGWGW-UHFFFAOYSA-N -1 3 402.343 4.692 40 0 HJABHM Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224859024 568600610 /nfs/dbraw/zinc/60/06/10/568600610.db2.gz OJNANMURXFWONR-DLBZAZTESA-N -1 3 401.944 4.988 40 0 HJABHM Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(Cc4ccc(C(=O)[O-])cc4)CC[C@@H]3O[C@H]21 ZINC000257306378 568806547 /nfs/dbraw/zinc/80/65/47/568806547.db2.gz SUBJMZWKOYDDHD-LKFPXLSTSA-N -1 3 421.537 4.833 40 0 HJABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c(Cl)c1 ZINC000226243779 569278785 /nfs/dbraw/zinc/27/87/85/569278785.db2.gz HDLSWUCOFQFRRY-UHFFFAOYSA-N -1 3 413.724 4.552 40 0 HJABHM 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/nfs/dbraw/zinc/45/54/57/557455457.db2.gz QNQOGAVGADSTAK-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1ccccc1 ZINC000408558886 557456112 /nfs/dbraw/zinc/45/61/12/557456112.db2.gz UHYVGMPFEIKVFW-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1C ZINC000408584601 557490390 /nfs/dbraw/zinc/49/03/90/557490390.db2.gz RUUFNICTBOOOCW-UHFFFAOYSA-N -1 3 401.532 4.512 40 0 HJABHM Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000006613130 557710325 /nfs/dbraw/zinc/71/03/25/557710325.db2.gz YSMYBSXZQLGTDI-UHFFFAOYSA-N -1 3 417.490 4.565 40 0 HJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cccc(Cl)c1Cl ZINC000019937620 558312531 /nfs/dbraw/zinc/31/25/31/558312531.db2.gz FPUYAVQERSBEJG-UHFFFAOYSA-N -1 3 408.672 4.578 40 0 HJABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014012161 558613556 /nfs/dbraw/zinc/61/35/56/558613556.db2.gz CPLDFHFFWCNQGH-UHFFFAOYSA-N -1 3 424.522 4.755 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)cc1 ZINC000030751360 558736064 /nfs/dbraw/zinc/73/60/64/558736064.db2.gz DMJCZOSXVNCTRA-GOSISDBHSA-N -1 3 424.522 4.510 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c(C)c1 ZINC000101025182 558825267 /nfs/dbraw/zinc/82/52/67/558825267.db2.gz GRSVHQCKZAIOBQ-NHTMILBNSA-N -1 3 412.489 4.663 40 0 HJABHM CC1CCN(CCC(=O)C[C@@H](c2ccccc2)c2c([O-])c3ccccc3oc2=O)CC1 ZINC000017215264 558825776 /nfs/dbraw/zinc/82/57/76/558825776.db2.gz KVSDYLTUWJAGOT-QFIPXVFZSA-N -1 3 419.521 4.712 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1 ZINC000013514346 558835611 /nfs/dbraw/zinc/83/56/11/558835611.db2.gz WNDKNSZFOUQZQR-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM CSc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000019170799 558847412 /nfs/dbraw/zinc/84/74/12/558847412.db2.gz OIGNWIHTUSUZCD-UHFFFAOYSA-N -1 3 416.499 4.601 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102735464 559152330 /nfs/dbraw/zinc/15/23/30/559152330.db2.gz IGDNOVPTPQAEFM-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409171634 560686535 /nfs/dbraw/zinc/68/65/35/560686535.db2.gz BPPNMLJBOMBINP-INIZCTEOSA-N -1 3 408.873 4.603 40 0 HJABHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409180517 560688255 /nfs/dbraw/zinc/68/82/55/560688255.db2.gz YXWBDUNKKBPNKI-QGZVFWFLSA-N -1 3 422.900 4.849 40 0 HJABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000102736351 560731758 /nfs/dbraw/zinc/73/17/58/560731758.db2.gz VWOCTRMVELYDAU-YTFSRNRJSA-N -1 3 400.478 4.564 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c(C)c1 ZINC000005557764 560738022 /nfs/dbraw/zinc/73/80/22/560738022.db2.gz VVWKKGWFWZKDII-UHFFFAOYSA-N -1 3 411.552 4.913 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000106695817 560744329 /nfs/dbraw/zinc/74/43/29/560744329.db2.gz QJCJVXBNHXTHER-SXGWCWSVSA-N -1 3 407.850 4.820 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1F)c1ccccc1F ZINC000008810667 560756430 /nfs/dbraw/zinc/75/64/30/560756430.db2.gz XKMDCQNKNOEEDN-UHFFFAOYSA-N -1 3 422.840 4.671 40 0 HJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3[O-])nc2c1 ZINC000017091075 560865782 /nfs/dbraw/zinc/86/57/82/560865782.db2.gz SMWWUEFXRGWTJF-UHFFFAOYSA-N -1 3 417.490 4.890 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3[O-])oc2c1 ZINC000017092660 560867203 /nfs/dbraw/zinc/86/72/03/560867203.db2.gz PZPLIULKLWARTK-UHFFFAOYSA-N -1 3 421.453 4.775 40 0 HJABHM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)ccc32)cc1 ZINC000223374498 568546889 /nfs/dbraw/zinc/54/68/89/568546889.db2.gz SIFMCFNSTYNFMN-UHFFFAOYSA-N -1 3 420.534 4.616 40 0 HJABHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000224530898 568583734 /nfs/dbraw/zinc/58/37/34/568583734.db2.gz HTQSVEJDJUFQMV-UHFFFAOYSA-N -1 3 417.943 4.950 40 0 HJABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224543286 568584368 /nfs/dbraw/zinc/58/43/68/568584368.db2.gz BMPCOMXHLJHBKG-UHFFFAOYSA-N -1 3 412.486 4.506 40 0 HJABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C ZINC000224866414 568601051 /nfs/dbraw/zinc/60/10/51/568601051.db2.gz HLLMTXQNZPBKEY-VQTJNVASSA-N -1 3 412.946 4.573 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)c(C)c1 ZINC000225051822 568611440 /nfs/dbraw/zinc/61/14/40/568611440.db2.gz YTYSEACIUKOEAJ-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1[O-] ZINC000260762812 568737921 /nfs/dbraw/zinc/73/79/21/568737921.db2.gz HKZAHQXWKJGSJG-MORSLUCNSA-N -1 3 403.935 4.819 40 0 HJABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1[O-] ZINC000006958703 569335895 /nfs/dbraw/zinc/33/58/95/569335895.db2.gz FUDVBVBPJDKSHO-MFOYZWKCSA-N -1 3 414.870 4.552 40 0 HJABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408585210 557488449 /nfs/dbraw/zinc/48/84/49/557488449.db2.gz XRGOESPGSMRUCX-UHFFFAOYSA-N -1 3 416.330 4.572 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000020460223 558372463 /nfs/dbraw/zinc/37/24/63/558372463.db2.gz LGHHVYQOAKCBEF-UHFFFAOYSA-N -1 3 416.886 4.756 40 0 HJABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl ZINC000022512833 558493127 /nfs/dbraw/zinc/49/31/27/558493127.db2.gz MXFFDZLOZSQUIX-UHFFFAOYSA-N -1 3 422.717 4.765 40 0 HJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000014004479 558612693 /nfs/dbraw/zinc/61/26/93/558612693.db2.gz VOWJNYDTWQMALZ-SFHVURJKSA-N -1 3 424.522 4.510 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1 ZINC000101056836 558825853 /nfs/dbraw/zinc/82/58/53/558825853.db2.gz WNDKNSZFOUQZQR-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000013513354 558835626 /nfs/dbraw/zinc/83/56/26/558835626.db2.gz FSNRYIANYKCYPE-FKBYEOEOSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000013618716 558848288 /nfs/dbraw/zinc/84/82/88/558848288.db2.gz NCMXLZBQFZUUHH-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM CCOC(=O)c1sc([N-]C(=O)c2ccco2)c(C(=O)OCC)c1-c1ccccc1 ZINC000409113406 560678241 /nfs/dbraw/zinc/67/82/41/560678241.db2.gz FVGUVIVADUEZKJ-UHFFFAOYSA-N -1 3 413.451 4.614 40 0 HJABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000409178215 560687517 /nfs/dbraw/zinc/68/75/17/560687517.db2.gz JVGHQJMRBYGAPW-DYVFJYSZSA-N -1 3 420.884 4.603 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2 ZINC000409362613 560715051 /nfs/dbraw/zinc/71/50/51/560715051.db2.gz SCGXGZJWPMHRQW-LZJOCLMNSA-N -1 3 410.480 4.921 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(OC)c1)N2 ZINC000409366135 560715434 /nfs/dbraw/zinc/71/54/34/560715434.db2.gz YXESSMWWTOFKLA-PTSWNOGYSA-N -1 3 412.452 4.610 40 0 HJABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)cc1 ZINC000005478499 568443770 /nfs/dbraw/zinc/44/37/70/568443770.db2.gz IDGCKJXQNAKQSW-VXNXHJTFSA-N -1 3 412.489 4.609 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2Cl)cc1 ZINC000216323283 568464312 /nfs/dbraw/zinc/46/43/12/568464312.db2.gz GYKVMONJKLDBOG-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCCC3)c(Cl)c1Cl ZINC000222928406 568531307 /nfs/dbraw/zinc/53/13/07/568531307.db2.gz HXYHPAHRAFEBOW-GFCCVEGCSA-N -1 3 414.354 4.920 40 0 HJABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223374750 568546891 /nfs/dbraw/zinc/54/68/91/568546891.db2.gz SFLXRXPGPGOIGC-UHFFFAOYSA-N -1 3 420.534 4.561 40 0 HJABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224524181 568583593 /nfs/dbraw/zinc/58/35/93/568583593.db2.gz KMYQHXJRMBOLIS-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccccc1C ZINC000225652673 568660311 /nfs/dbraw/zinc/66/03/11/568660311.db2.gz ZCSSKKYZLFAYPA-NRFANRHFSA-N -1 3 401.915 4.725 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100122153 569012051 /nfs/dbraw/zinc/01/20/51/569012051.db2.gz UATSXNGJSNRLHJ-NJYVYQBISA-N -1 3 422.843 4.530 40 0 HJABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000020572837 521384101 /nfs/dbraw/zinc/38/41/01/521384101.db2.gz MWJZNCXJWVSJNL-UHFFFAOYSA-N -1 3 418.496 4.795 40 0 HJABHM Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000000996055 557137628 /nfs/dbraw/zinc/13/76/28/557137628.db2.gz PGCALIGBHJCLCP-UHFFFAOYSA-N -1 3 416.506 4.679 40 0 HJABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408560065 557457674 /nfs/dbraw/zinc/45/76/74/557457674.db2.gz BRZGDFZDCDRARB-UHFFFAOYSA-N -1 3 416.330 4.668 40 0 HJABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 ZINC000408603206 557523629 /nfs/dbraw/zinc/52/36/29/557523629.db2.gz FVZXBCSMHLGEBF-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1Cl ZINC000010544153 558259154 /nfs/dbraw/zinc/25/91/54/558259154.db2.gz ZHPLJLDICLQZGQ-GFCCVEGCSA-N -1 3 416.326 4.583 40 0 HJABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000020452346 558366545 /nfs/dbraw/zinc/36/65/45/558366545.db2.gz XZZTUXIWFJWHAE-UHFFFAOYSA-N -1 3 422.717 4.765 40 0 HJABHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(Br)cc1F ZINC000013681164 558566595 /nfs/dbraw/zinc/56/65/95/558566595.db2.gz AYWNNJBFRCKBEK-UHFFFAOYSA-N -1 3 413.095 4.837 40 0 HJABHM Cc1cc(C)cc(OCC(=O)[N-]C(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000016269302 558782653 /nfs/dbraw/zinc/78/26/53/558782653.db2.gz XUKORBMEFZMQOC-UHFFFAOYSA-N -1 3 419.959 4.767 40 0 HJABHM CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[n-]1 ZINC000019453492 558890723 /nfs/dbraw/zinc/89/07/23/558890723.db2.gz HCQBZRRNUAVOSW-NRFANRHFSA-N -1 3 404.489 4.587 40 0 HJABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@@H]3C[C@@H]21 ZINC000585262336 559110884 /nfs/dbraw/zinc/11/08/84/559110884.db2.gz MJMYRERQYSEBQY-XHRGMSINSA-N -1 3 407.510 4.524 40 0 HJABHM C[C@@]12C(=O)N(c3cccc(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102697247 559152011 /nfs/dbraw/zinc/15/20/11/559152011.db2.gz JRYISFBJRDAFHH-HFMPRLQTSA-N -1 3 418.880 4.781 40 0 HJABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)N(c1ccccc1)c1ccccc1 ZINC000000873488 560536745 /nfs/dbraw/zinc/53/67/45/560536745.db2.gz GTJKDPQMNUGKPA-UHFFFAOYSA-N -1 3 403.463 4.899 40 0 HJABHM Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1 ZINC000408810079 560643858 /nfs/dbraw/zinc/64/38/58/560643858.db2.gz IDKVOTKWKIMWNU-UHFFFAOYSA-N -1 3 424.727 4.880 40 0 HJABHM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102736291 560731802 /nfs/dbraw/zinc/73/18/02/560731802.db2.gz XMMKDNVRLXROGB-HAFPXEGZSA-N -1 3 410.489 4.721 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F)c1cccc(Cl)c1 ZINC000008810214 560756226 /nfs/dbraw/zinc/75/62/26/560756226.db2.gz VQPFXARUHAWQCV-UHFFFAOYSA-N -1 3 422.840 4.671 40 0 HJABHM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c([O-])ccc2ccccc21 ZINC000017092601 560867181 /nfs/dbraw/zinc/86/71/81/560867181.db2.gz GRGPTFXRNXYKJK-UHFFFAOYSA-N -1 3 421.305 4.988 40 0 HJABHM CC(C)c1ccc(OCc2nnc(SCC(=O)c3cc(F)ccc3[O-])o2)cc1 ZINC000000780078 568417242 /nfs/dbraw/zinc/41/72/42/568417242.db2.gz SQBRWQFTMLPFNQ-UHFFFAOYSA-N -1 3 402.447 4.592 40 0 HJABHM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(C)cc4C)ccc32)cc1 ZINC000223374178 568546918 /nfs/dbraw/zinc/54/69/18/568546918.db2.gz HRCNCWFVVRKCQK-UHFFFAOYSA-N -1 3 420.534 4.616 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)cc1 ZINC000224057176 568568132 /nfs/dbraw/zinc/56/81/32/568568132.db2.gz KZHMGCNIVIHOSJ-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc(C)c1 ZINC000224311921 568577561 /nfs/dbraw/zinc/57/75/61/568577561.db2.gz ZTRYMKRCPVNODQ-NRFANRHFSA-N -1 3 401.915 4.725 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224621361 568588540 /nfs/dbraw/zinc/58/85/40/568588540.db2.gz JDFPCLISZFWCKM-GOTSBHOMSA-N -1 3 412.518 4.755 40 0 HJABHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])s1 ZINC000224859084 568600707 /nfs/dbraw/zinc/60/07/07/568600707.db2.gz HISSMYDEDKSZCN-QZTJIDSGSA-N -1 3 401.944 4.988 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(C)C ZINC000225174653 568620408 /nfs/dbraw/zinc/62/04/08/568620408.db2.gz AJBNFLMSKCOQDS-UHFFFAOYSA-N -1 3 410.539 4.914 40 0 HJABHM O=C([O-])c1ccc(CN2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 ZINC000257280586 568798703 /nfs/dbraw/zinc/79/87/03/568798703.db2.gz OLLOZPZACODKQP-IBGZPJMESA-N -1 3 410.901 4.997 40 0 HJABHM COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Cl)c1[O-] ZINC000008277389 569339954 /nfs/dbraw/zinc/33/99/54/569339954.db2.gz FCWOGQDZORYAHP-OVCLIPMQSA-N -1 3 409.294 4.908 40 0 HJABHM O=S(=O)([N-][C@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000107864177 569353076 /nfs/dbraw/zinc/35/30/76/569353076.db2.gz KEHIXNOYHZFQGC-WOJBJXKFSA-N -1 3 422.333 4.747 40 0 HJABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000020111035 525332077 /nfs/dbraw/zinc/33/20/77/525332077.db2.gz FFFWTPQIGULVPE-CYBMUJFWSA-N -1 3 408.951 4.500 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 ZINC000044839718 525601427 /nfs/dbraw/zinc/60/14/27/525601427.db2.gz TYMUIEZAGDXAFF-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM O=C(Cc1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1[O-] ZINC000021982286 527243960 /nfs/dbraw/zinc/24/39/60/527243960.db2.gz OWTDXASPDWYLTG-DNQXCXABSA-N -1 3 412.482 4.628 40 0 HJABHM O=C(Nc1cccc(C(F)(F)F)c1)C(=S)[N-]CCNc1cccc2ccccc21 ZINC000005590282 557663604 /nfs/dbraw/zinc/66/36/04/557663604.db2.gz BNFHTBJBNPJJQV-UHFFFAOYSA-N -1 3 417.456 4.826 40 0 HJABHM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000006684032 557715103 /nfs/dbraw/zinc/71/51/03/557715103.db2.gz RQRGEBXAYRORRG-ODCIPOBUSA-N -1 3 403.744 4.817 40 0 HJABHM CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000006684032 557715105 /nfs/dbraw/zinc/71/51/05/557715105.db2.gz RQRGEBXAYRORRG-ODCIPOBUSA-N -1 3 403.744 4.817 40 0 HJABHM CCOc1ccc(-c2cc([N-]C(=O)c3noc4c3C[C@@H](C)CC4)on2)cc1OCC ZINC000020177424 558343960 /nfs/dbraw/zinc/34/39/60/558343960.db2.gz DGAMGJCSENWYLO-ZDUSSCGKSA-N -1 3 411.458 4.504 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)cc1 ZINC000030751364 558736082 /nfs/dbraw/zinc/73/60/82/558736082.db2.gz DMJCZOSXVNCTRA-SFHVURJKSA-N -1 3 424.522 4.510 40 0 HJABHM Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015431902 558739825 /nfs/dbraw/zinc/73/98/25/558739825.db2.gz PIOMBLXLNIYXOF-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM CC(C)C[C@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000101041695 558825827 /nfs/dbraw/zinc/82/58/27/558825827.db2.gz KAEVMPMHCQRLOG-LNLFQRSKSA-N -1 3 419.308 4.718 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)c(C)c1 ZINC000013807149 558883599 /nfs/dbraw/zinc/88/35/99/558883599.db2.gz HFOLDOQWPQYRAR-HJOGWXRNSA-N -1 3 412.489 4.663 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000085945233 560545559 /nfs/dbraw/zinc/54/55/59/560545559.db2.gz NCMXLZBQFZUUHH-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1[O-] ZINC000409105329 560678431 /nfs/dbraw/zinc/67/84/31/560678431.db2.gz IMMQHTDLRRNLDQ-WCIBSUBMSA-N -1 3 414.177 4.675 40 0 HJABHM CCCCCN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OCC)c2)C1=O ZINC000409211324 560695134 /nfs/dbraw/zinc/69/51/34/560695134.db2.gz LNHSFKFVVCZYGX-UVTDQMKNSA-N -1 3 414.321 4.780 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(OC)cc1)N2 ZINC000409341141 560711284 /nfs/dbraw/zinc/71/12/84/560711284.db2.gz CZPGZAIVUHTCOX-AKCHCHLHSA-N -1 3 412.452 4.610 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(F)c1)N2 ZINC000409364666 560715245 /nfs/dbraw/zinc/71/52/45/560715245.db2.gz XVWXMPPTVYAGEZ-FRIZHTMISA-N -1 3 400.416 4.741 40 0 HJABHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1cccc(OCc2ccccc2)c1 ZINC000017089411 560864236 /nfs/dbraw/zinc/86/42/36/560864236.db2.gz ZIFYZYCPKLVIEG-UHFFFAOYSA-N -1 3 412.898 4.751 40 0 HJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004980939 568430748 /nfs/dbraw/zinc/43/07/48/568430748.db2.gz NCMXLZBQFZUUHH-VSKRKVRLSA-N -1 3 418.880 4.700 40 0 HJABHM CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1[O-] ZINC000222661034 568522627 /nfs/dbraw/zinc/52/26/27/568522627.db2.gz HKZAHQXWKJGSJG-XWIAVFTESA-N -1 3 403.935 4.819 40 0 HJABHM CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc([O-])c(Br)c3)N21 ZINC000222665703 568522739 /nfs/dbraw/zinc/52/27/39/568522739.db2.gz IHYPZFSBNFQPAP-AFAVFJNCSA-N -1 3 404.333 4.529 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1cc2ccccc2o1 ZINC000224564832 568585634 /nfs/dbraw/zinc/58/56/34/568585634.db2.gz ZTNVWPNQOZKMLN-UHFFFAOYSA-N -1 3 410.426 4.625 40 0 HJABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(Cc4cccc(C(=O)[O-])c4)[C@H]3C[C@@H]21 ZINC000257220808 568782278 /nfs/dbraw/zinc/78/22/78/568782278.db2.gz DMGAVNWKNFIBAT-BAMDZGJYSA-N -1 3 407.510 4.667 40 0 HJABHM Cc1ccc2c(c1)OC1(CCN(Cc3cccc(C(=O)[O-])c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257248699 568789921 /nfs/dbraw/zinc/78/99/21/568789921.db2.gz JEUYWCKHEHVRIB-JTHBVZDNSA-N -1 3 407.510 4.588 40 0 HJABHM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc(Br)c1[O-] ZINC000226243611 569278809 /nfs/dbraw/zinc/27/88/09/569278809.db2.gz FKLCYVVDCHYQMK-UHFFFAOYSA-N -1 3 407.333 4.713 40 0 HJABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000010314414 569343435 /nfs/dbraw/zinc/34/34/35/569343435.db2.gz SCJICNLVUMGBLT-UHFFFAOYSA-N -1 3 408.523 4.676 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1C ZINC000028206852 569350086 /nfs/dbraw/zinc/35/00/86/569350086.db2.gz OVNGGRNWLFZLSZ-GOSISDBHSA-N -1 3 420.534 4.696 40 0 HJABHM O=C(Cc1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1[O-] ZINC000021982288 527244100 /nfs/dbraw/zinc/24/41/00/527244100.db2.gz OWTDXASPDWYLTG-RPWUZVMVSA-N -1 3 412.482 4.628 40 0 HJABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000006613610 557710342 /nfs/dbraw/zinc/71/03/42/557710342.db2.gz WOOHILHHAVUZQU-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)c1 ZINC000008741673 557803906 /nfs/dbraw/zinc/80/39/06/557803906.db2.gz FNZHQOGUUKMVSU-AABGKKOBSA-N -1 3 424.909 4.761 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc(F)cc1 ZINC000011582421 558264277 /nfs/dbraw/zinc/26/42/77/558264277.db2.gz GOYZKYVQWGNNAH-HKBOAZHASA-N -1 3 422.843 4.530 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2Cl)cc1 ZINC000020042809 558326489 /nfs/dbraw/zinc/32/64/89/558326489.db2.gz WVDOAWJIPSMFLH-UHFFFAOYSA-N -1 3 414.914 4.726 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000030857426 558741252 /nfs/dbraw/zinc/74/12/52/558741252.db2.gz NILFJIGIXBDDTC-UHFFFAOYSA-N -1 3 416.886 4.756 40 0 HJABHM CC(C)C[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000013757666 558865582 /nfs/dbraw/zinc/86/55/82/558865582.db2.gz VWOCTRMVELYDAU-VABKMULXSA-N -1 3 400.478 4.564 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(OC)c1)N2 ZINC000409366129 560715440 /nfs/dbraw/zinc/71/54/40/560715440.db2.gz YXESSMWWTOFKLA-KKVAFCGZSA-N -1 3 412.452 4.610 40 0 HJABHM COc1cccc(C=C2SC(=O)[N-]C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000113830795 560805000 /nfs/dbraw/zinc/80/50/00/560805000.db2.gz HPGLXBBRRHVTAE-VIZOYTHASA-N -1 3 410.278 4.905 40 0 HJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c1 ZINC000005053688 568432076 /nfs/dbraw/zinc/43/20/76/568432076.db2.gz CZNJUCWEUUULRC-VSKRKVRLSA-N -1 3 418.880 4.700 40 0 HJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000005085964 568432478 /nfs/dbraw/zinc/43/24/78/568432478.db2.gz CNTPOBMIWIPEHC-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000223702700 568556713 /nfs/dbraw/zinc/55/67/13/568556713.db2.gz XMOFUFVRLOAFGA-UHFFFAOYSA-N -1 3 416.370 4.789 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C ZINC000224127604 568570871 /nfs/dbraw/zinc/57/08/71/568570871.db2.gz YVOLYCRNLPHCJX-UHFFFAOYSA-N -1 3 404.713 4.529 40 0 HJABHM CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000224214781 568573965 /nfs/dbraw/zinc/57/39/65/568573965.db2.gz SSJNJMGAGRXCAI-UHFFFAOYSA-N -1 3 416.370 4.789 40 0 HJABHM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224530151 568583781 /nfs/dbraw/zinc/58/37/81/568583781.db2.gz WODBDPJNZCZUOX-UHFFFAOYSA-N -1 3 401.875 4.785 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224598522 568587045 /nfs/dbraw/zinc/58/70/45/568587045.db2.gz YXTXYNPKKLQRCK-FCHUYYIVSA-N -1 3 404.539 4.881 40 0 HJABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C(C)C ZINC000224599783 568587340 /nfs/dbraw/zinc/58/73/40/568587340.db2.gz IOLMIEAIRWXGDM-FCHUYYIVSA-N -1 3 406.555 4.964 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224621408 568588528 /nfs/dbraw/zinc/58/85/28/568588528.db2.gz JDFPCLISZFWCKM-PKTZIBPZSA-N -1 3 412.518 4.755 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(C)C ZINC000224812890 568598211 /nfs/dbraw/zinc/59/82/11/568598211.db2.gz NBYMSLDYKFGJAY-UHFFFAOYSA-N -1 3 412.349 4.999 40 0 HJABHM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000225051427 568611435 /nfs/dbraw/zinc/61/14/35/568611435.db2.gz ABJIFYIEORVVIH-UHFFFAOYSA-N -1 3 408.523 4.973 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1C ZINC000225270447 568627094 /nfs/dbraw/zinc/62/70/94/568627094.db2.gz RDUKWKILVOIVLZ-UHFFFAOYSA-N -1 3 407.495 4.656 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1C ZINC000225270447 568627096 /nfs/dbraw/zinc/62/70/96/568627096.db2.gz RDUKWKILVOIVLZ-UHFFFAOYSA-N -1 3 407.495 4.656 40 0 HJABHM O=C([O-])c1cccc(CN2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 ZINC000257272056 568796183 /nfs/dbraw/zinc/79/61/83/568796183.db2.gz NAXFMLKTGAAMFB-LJQANCHMSA-N -1 3 410.901 4.997 40 0 HJABHM O=C(COc1ccccc1)[N-]C(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000033607947 571306500 /nfs/dbraw/zinc/30/65/00/571306500.db2.gz LIHJNZVCOOZKOF-UHFFFAOYSA-N -1 3 419.531 4.855 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCC3)cc2Cl)cc1 ZINC000044883247 525598103 /nfs/dbraw/zinc/59/81/03/525598103.db2.gz RLWZDRPJGNGCEU-UHFFFAOYSA-N -1 3 420.962 4.902 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)NC1CCCCC1 ZINC000408550101 557400072 /nfs/dbraw/zinc/40/00/72/557400072.db2.gz BLXANAOQQMHQBG-UHFFFAOYSA-N -1 3 406.935 4.512 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1ccccc1C ZINC000408556578 557453086 /nfs/dbraw/zinc/45/30/86/557453086.db2.gz IPYXCEXTYXAXBZ-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1ccccc1C ZINC000408558549 557455987 /nfs/dbraw/zinc/45/59/87/557455987.db2.gz RWQXPUZGWKQXEA-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408581743 557485921 /nfs/dbraw/zinc/48/59/21/557485921.db2.gz AHCITBCTQAHESB-UHFFFAOYSA-N -1 3 416.330 4.572 40 0 HJABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1OCC ZINC000408587213 557493853 /nfs/dbraw/zinc/49/38/53/557493853.db2.gz SJBOCGHIURWHRJ-UHFFFAOYSA-N -1 3 420.531 4.886 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1OCC ZINC000408680556 557686471 /nfs/dbraw/zinc/68/64/71/557686471.db2.gz NKPADOUDZKMABB-UHFFFAOYSA-N -1 3 423.840 4.957 40 0 HJABHM CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1[O-] ZINC000006394827 557701153 /nfs/dbraw/zinc/70/11/53/557701153.db2.gz ZHSOMDCGUJIHFH-ZZODWALSSA-N -1 3 404.919 4.606 40 0 HJABHM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cnc2ccccc2c1[O-] ZINC000408713285 557749385 /nfs/dbraw/zinc/74/93/85/557749385.db2.gz RLHXXSWHPMNGJV-UHFFFAOYSA-N -1 3 402.837 4.665 40 0 HJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000019937626 558312519 /nfs/dbraw/zinc/31/25/19/558312519.db2.gz FTUQFEFERGUVHN-UHFFFAOYSA-N -1 3 408.672 4.578 40 0 HJABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(Br)c1 ZINC000020029963 558324005 /nfs/dbraw/zinc/32/40/05/558324005.db2.gz JXCBBZVCAAIVCM-NSHDSACASA-N -1 3 418.740 4.541 40 0 HJABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1Cl ZINC000020042582 558326351 /nfs/dbraw/zinc/32/63/51/558326351.db2.gz XGQDFXZGCXKFQC-UHFFFAOYSA-N -1 3 422.717 4.765 40 0 HJABHM COc1ccc(-c2csc([N-]C(=O)c3ncoc3-c3cccs3)n2)cc1OC ZINC000012115131 558327610 /nfs/dbraw/zinc/32/76/10/558327610.db2.gz QGSDAUUGUYFRDH-UHFFFAOYSA-N -1 3 413.480 4.796 40 0 HJABHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000020456195 558369764 /nfs/dbraw/zinc/36/97/64/558369764.db2.gz NZZAHUGTRVLXKB-ZDUSSCGKSA-N -1 3 408.951 4.500 40 0 HJABHM Cc1ccc(OCC(=O)[N-]C(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1C ZINC000016312616 558785839 /nfs/dbraw/zinc/78/58/39/558785839.db2.gz DBRUUVHHMLCQBH-UHFFFAOYSA-N -1 3 419.959 4.767 40 0 HJABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccco2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017091816 558820357 /nfs/dbraw/zinc/82/03/57/558820357.db2.gz CSZPSJMDLDADTN-CMDGGOBGSA-N -1 3 419.462 4.628 40 0 HJABHM CC(C)(C(=O)N[C@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1)c1ccc(F)cc1 ZINC000019085057 558841148 /nfs/dbraw/zinc/84/11/48/558841148.db2.gz SCVIVCWFFOVHLZ-OAQYLSRUSA-N -1 3 419.500 4.577 40 0 HJABHM COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1[N-]C(=O)c1ccco1 ZINC000000868926 559293230 /nfs/dbraw/zinc/29/32/30/559293230.db2.gz SKOUCAATDSFNRH-UHFFFAOYSA-N -1 3 412.467 4.558 40 0 HJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)c1 ZINC000095483670 560558402 /nfs/dbraw/zinc/55/84/02/560558402.db2.gz GLTQFBFWISJYOZ-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCCc1ccccc1)N2 ZINC000409108633 560678882 /nfs/dbraw/zinc/67/88/82/560678882.db2.gz XUPYUGIJLWHZTA-WWMYMODYSA-N -1 3 410.480 4.921 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CCCc1ccccc1)N2 ZINC000409108630 560678889 /nfs/dbraw/zinc/67/88/89/560678889.db2.gz XUPYUGIJLWHZTA-CBGDNZLLSA-N -1 3 410.480 4.921 40 0 HJABHM CCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OCC)c2)c2ccccc21 ZINC000409120033 560679531 /nfs/dbraw/zinc/67/95/31/560679531.db2.gz SNDLGTHKLWWHQD-GDNBJRDFSA-N -1 3 402.288 4.851 40 0 HJABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102728607 560731752 /nfs/dbraw/zinc/73/17/52/560731752.db2.gz FNBXZQRPOLLYGF-IPMKNSEASA-N -1 3 419.308 4.718 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000014399982 560842232 /nfs/dbraw/zinc/84/22/32/560842232.db2.gz DSUSWSAJGBPYNS-SFHVURJKSA-N -1 3 424.522 4.510 40 0 HJABHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000016129628 560859796 /nfs/dbraw/zinc/85/97/96/560859796.db2.gz GYFICEDPYXIAHK-UHFFFAOYSA-N -1 3 411.104 4.565 40 0 HJABHM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000223962322 568564615 /nfs/dbraw/zinc/56/46/15/568564615.db2.gz CIKWXFPILHABHS-HXUWFJFHSA-N -1 3 412.486 4.508 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(C)c1 ZINC000224311975 568577538 /nfs/dbraw/zinc/57/75/38/568577538.db2.gz ZTRYMKRCPVNODQ-OAQYLSRUSA-N -1 3 401.915 4.725 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3=CCCCC3)cc2Cl)cc1 ZINC000224409548 568580617 /nfs/dbraw/zinc/58/06/17/568580617.db2.gz CJTXXRMAXQPGKO-UHFFFAOYSA-N -1 3 418.946 4.679 40 0 HJABHM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224523641 568583642 /nfs/dbraw/zinc/58/36/42/568583642.db2.gz WDOCJUCILNNAOO-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CC1 ZINC000224595577 568587204 /nfs/dbraw/zinc/58/72/04/568587204.db2.gz SZNHQWONXHXBEH-YADHBBJMSA-N -1 3 404.539 4.718 40 0 HJABHM O=C([O-])c1cccc(CN2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 ZINC000257272055 568796144 /nfs/dbraw/zinc/79/61/44/568796144.db2.gz NAXFMLKTGAAMFB-IBGZPJMESA-N -1 3 410.901 4.997 40 0 HJABHM CC(C)C(=O)N[C@]1(C)C[C@@H](c2cc(Br)ccc2[O-])O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257292968 568802425 /nfs/dbraw/zinc/80/24/25/568802425.db2.gz QNPYXOVBCUDXNQ-HYEFLGHESA-N -1 3 424.379 4.952 40 0 HJABHM Cc1ccc(C(=O)CC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008475331 569341252 /nfs/dbraw/zinc/34/12/52/569341252.db2.gz AQHNYCHVLFDWMU-HSZRJFAPSA-N -1 3 406.503 4.602 40 0 HJABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000010314745 569343478 /nfs/dbraw/zinc/34/34/78/569343478.db2.gz OPJIOABYPBTWTB-UHFFFAOYSA-N -1 3 422.550 4.984 40 0 HJABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000009462831 569392906 /nfs/dbraw/zinc/39/29/06/569392906.db2.gz BSNNENDIYSJYIY-AQNXPRMDSA-N -1 3 424.909 4.761 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccccc1F ZINC000408573908 557477530 /nfs/dbraw/zinc/47/75/30/557477530.db2.gz FEEIFXCIDHDYNP-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000408612441 557530402 /nfs/dbraw/zinc/53/04/02/557530402.db2.gz YJIXGDDGDRBHAT-UHFFFAOYSA-N -1 3 407.706 4.714 40 0 HJABHM Cc1cc([O-])c(C(=O)[C@@H](C)SC(=S)N2CCCCC2)cc1Br ZINC000005538696 557660298 /nfs/dbraw/zinc/66/02/98/557660298.db2.gz NCWIAZZWNKWJAS-LLVKDONJSA-N -1 3 402.379 4.538 40 0 HJABHM Cc1cc(NC(=S)NC(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000006613131 557710347 /nfs/dbraw/zinc/71/03/47/557710347.db2.gz RGVJMESTSDXXNM-UHFFFAOYSA-N -1 3 403.463 4.636 40 0 HJABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408700981 557726275 /nfs/dbraw/zinc/72/62/75/557726275.db2.gz POVLZVXFSNFUHL-UHFFFAOYSA-N -1 3 407.706 4.661 40 0 HJABHM N=C(Nc1cccc(Cl)c1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009287029 557834284 /nfs/dbraw/zinc/83/42/84/557834284.db2.gz IAVXQHABXNDWEQ-UHFFFAOYSA-N -1 3 420.325 4.828 40 0 HJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cc(Cl)ccc1Cl ZINC000019937622 558312496 /nfs/dbraw/zinc/31/24/96/558312496.db2.gz UYBIYRCOCLXOGL-UHFFFAOYSA-N -1 3 408.672 4.578 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1 ZINC000020049424 558328224 /nfs/dbraw/zinc/32/82/24/558328224.db2.gz IRZWDCFKRUIZMK-UHFFFAOYSA-N -1 3 416.886 4.756 40 0 HJABHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100984829 558824604 /nfs/dbraw/zinc/82/46/04/558824604.db2.gz LWGQZJYYCUEDKM-SDHSZQHLSA-N -1 3 420.468 4.891 40 0 HJABHM COc1ccc(-c2ccc3c(c2)C2(CN3C(=O)c3cccc([O-])c3)CCOCC2)cc1 ZINC000585106160 559028460 /nfs/dbraw/zinc/02/84/60/559028460.db2.gz TVGMEQKAKASJRU-UHFFFAOYSA-N -1 3 415.489 4.776 40 0 HJABHM Cc1nc(-c2cnc(-c3ccccc3)nc2-c2ccc3c(c2[O-])OCCO3)cs1 ZINC000006239022 559112059 /nfs/dbraw/zinc/11/20/59/559112059.db2.gz ZHLAJPYJXBYPFZ-UHFFFAOYSA-N -1 3 403.463 4.719 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc(F)cc1 ZINC000100565906 559136631 /nfs/dbraw/zinc/13/66/31/559136631.db2.gz GOYZKYVQWGNNAH-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102706086 559152064 /nfs/dbraw/zinc/15/20/64/559152064.db2.gz UTTZDGLCMGGDLF-ACRUOGEOSA-N -1 3 422.843 4.530 40 0 HJABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3C)SC2=S)c(Cl)c1 ZINC000008369837 559281620 /nfs/dbraw/zinc/28/16/20/559281620.db2.gz UBUKKMAXILWZSF-MHWRWJLKSA-N -1 3 402.928 4.503 40 0 HJABHM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)cs1 ZINC000006681751 560632464 /nfs/dbraw/zinc/63/24/64/560632464.db2.gz PFALBMKHVWGUCE-UHFFFAOYSA-N -1 3 406.916 4.763 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(F)c1)N2 ZINC000409364673 560715215 /nfs/dbraw/zinc/71/52/15/560715215.db2.gz XVWXMPPTVYAGEZ-ZXYWRSMDSA-N -1 3 400.416 4.741 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(F)c1)N2 ZINC000409364669 560715235 /nfs/dbraw/zinc/71/52/35/560715235.db2.gz XVWXMPPTVYAGEZ-MUKKUYKPSA-N -1 3 400.416 4.741 40 0 HJABHM CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1[O-] ZINC000409412585 560722960 /nfs/dbraw/zinc/72/29/60/560722960.db2.gz UFCIURZHMCTPEF-UHFFFAOYSA-N -1 3 423.325 4.708 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3[O-])oc2c1 ZINC000017088274 560863243 /nfs/dbraw/zinc/86/32/43/560863243.db2.gz IYLIFLNAQGBAQL-UHFFFAOYSA-N -1 3 409.492 4.697 40 0 HJABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765642 568458916 /nfs/dbraw/zinc/45/89/16/568458916.db2.gz NQSYLCCZLULWEN-UHFFFAOYSA-N -1 3 420.534 4.643 40 0 HJABHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1Br ZINC000223660989 568555268 /nfs/dbraw/zinc/55/52/68/568555268.db2.gz JDPOWLOLCUDKIX-UHFFFAOYSA-N -1 3 410.333 4.662 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224620987 568588536 /nfs/dbraw/zinc/58/85/36/568588536.db2.gz DWDJREMLMBORBV-YADHBBJMSA-N -1 3 404.539 4.881 40 0 HJABHM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000059133061 568701065 /nfs/dbraw/zinc/70/10/65/568701065.db2.gz TUZWFYLDGSCETR-JOCHJYFZSA-N -1 3 424.522 4.592 40 0 HJABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(/C=C/C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257235208 568786209 /nfs/dbraw/zinc/78/62/09/568786209.db2.gz GWWVXEPFWFOJIH-MNBYJOGOSA-N -1 3 419.521 4.676 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1C ZINC000028206855 569350080 /nfs/dbraw/zinc/35/00/80/569350080.db2.gz OVNGGRNWLFZLSZ-SFHVURJKSA-N -1 3 420.534 4.696 40 0 HJABHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000107864180 569353057 /nfs/dbraw/zinc/35/30/57/569353057.db2.gz KEHIXNOYHZFQGC-PMACEKPBSA-N -1 3 422.333 4.747 40 0 HJABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1OCC ZINC000408587297 557490693 /nfs/dbraw/zinc/49/06/93/557490693.db2.gz SZFVKUGINDOFJT-UHFFFAOYSA-N -1 3 406.504 4.578 40 0 HJABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000408586815 557493258 /nfs/dbraw/zinc/49/32/58/557493258.db2.gz RLSAFACQKXJJGM-UHFFFAOYSA-N -1 3 401.915 4.807 40 0 HJABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1C ZINC000010009802 557853786 /nfs/dbraw/zinc/85/37/86/557853786.db2.gz AWYOSDRHEHHXRL-UHFFFAOYSA-N -1 3 422.550 4.902 40 0 HJABHM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020106071 558333396 /nfs/dbraw/zinc/33/33/96/558333396.db2.gz XVMMHCMKDKULBC-UHFFFAOYSA-N -1 3 400.887 4.702 40 0 HJABHM CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc(=O)[n-]1 ZINC000012220504 558355458 /nfs/dbraw/zinc/35/54/58/558355458.db2.gz RJPBNQVGIUUQKR-QGZVFWFLSA-N -1 3 406.511 4.562 40 0 HJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c1 ZINC000013711851 558576284 /nfs/dbraw/zinc/57/62/84/558576284.db2.gz CZNJUCWEUUULRC-FSSWDIPSSA-N -1 3 418.880 4.700 40 0 HJABHM O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015413794 558738784 /nfs/dbraw/zinc/73/87/84/558738784.db2.gz ADOVLJJOWJCDBV-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM COc1ccc(C)cc1CC(=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019133048 558845861 /nfs/dbraw/zinc/84/58/61/558845861.db2.gz UZVLWIQUBUAHLO-IBGZPJMESA-N -1 3 423.538 4.524 40 0 HJABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013757643 558865416 /nfs/dbraw/zinc/86/54/16/558865416.db2.gz XMMKDNVRLXROGB-XXMUNEJQSA-N -1 3 410.489 4.721 40 0 HJABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 ZINC000002734174 558999149 /nfs/dbraw/zinc/99/91/49/558999149.db2.gz NUSZSLBBDPAIMR-UHFFFAOYSA-N -1 3 414.630 4.922 40 0 HJABHM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC000000862978 559291264 /nfs/dbraw/zinc/29/12/64/559291264.db2.gz IRKYYSHYZGDJIJ-UHFFFAOYSA-N -1 3 405.479 4.943 40 0 HJABHM COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1[N-]C(=O)c1ccco1 ZINC000000871465 560536124 /nfs/dbraw/zinc/53/61/24/560536124.db2.gz VGFIDIGCPFQCEQ-UHFFFAOYSA-N -1 3 412.467 4.558 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000409097545 560676013 /nfs/dbraw/zinc/67/60/13/560676013.db2.gz OCRKKJGLKSIYKH-RVZJWNSFSA-N -1 3 402.844 4.865 40 0 HJABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@]2([O-])C(F)(F)F ZINC000409184897 560688878 /nfs/dbraw/zinc/68/88/78/560688878.db2.gz YRWRVIXKEKPKLW-CFCCAZDESA-N -1 3 402.416 4.853 40 0 HJABHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1[O-] ZINC000409410904 560721400 /nfs/dbraw/zinc/72/14/00/560721400.db2.gz ADXPQJUBRKZBMD-UHFFFAOYSA-N -1 3 423.325 4.708 40 0 HJABHM CCCCCOc1ccccc1[C@H]1Nc2ccccc2[C@@H]2C(=O)[N-]C(SCC)=NN21 ZINC000588229056 560743758 /nfs/dbraw/zinc/74/37/58/560743758.db2.gz BIEAVDSPIWNWNJ-RTWAWAEBSA-N -1 3 424.570 4.877 40 0 HJABHM O=c1[n-]c(N2CCc3ccccc3C2)nc2c1[C@@H](c1ccccc1)C1=C(CCCC1)N2 ZINC000008017802 560753077 /nfs/dbraw/zinc/75/30/77/560753077.db2.gz BFJDUCMIWMPWPB-QFIPXVFZSA-N -1 3 410.521 4.718 40 0 HJABHM O=c1[n-]c(N2CCc3ccccc3C2)nc2c1[C@@H](c1ccccc1)C1CCCCC1=N2 ZINC000008017802 560753079 /nfs/dbraw/zinc/75/30/79/560753079.db2.gz BFJDUCMIWMPWPB-QFIPXVFZSA-N -1 3 410.521 4.718 40 0 HJABHM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000008109180 560753617 /nfs/dbraw/zinc/75/36/17/560753617.db2.gz RVMOBVWAJIFWIM-NVNXTCNLSA-N -1 3 410.278 4.944 40 0 HJABHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000223779406 568558876 /nfs/dbraw/zinc/55/88/76/568558876.db2.gz JACIOMFSNMTXIR-UHFFFAOYSA-N -1 3 402.343 4.615 40 0 HJABHM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000224553848 568584930 /nfs/dbraw/zinc/58/49/30/568584930.db2.gz PNKNBZPZDMFKMO-UHFFFAOYSA-N -1 3 424.522 4.837 40 0 HJABHM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224566932 568585630 /nfs/dbraw/zinc/58/56/30/568585630.db2.gz MPLBJQKTRRPWOR-UHFFFAOYSA-N -1 3 419.865 4.924 40 0 HJABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CC1 ZINC000224595687 568587167 /nfs/dbraw/zinc/58/71/67/568587167.db2.gz SZNHQWONXHXBEH-VXKWHMMOSA-N -1 3 404.539 4.718 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000224621513 568588561 /nfs/dbraw/zinc/58/85/61/568588561.db2.gz JDFPCLISZFWCKM-DHIUTWEWSA-N -1 3 412.518 4.755 40 0 HJABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C ZINC000224866331 568600957 /nfs/dbraw/zinc/60/09/57/568600957.db2.gz HLLMTXQNZPBKEY-WOJBJXKFSA-N -1 3 412.946 4.573 40 0 HJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225880154 568683089 /nfs/dbraw/zinc/68/30/89/568683089.db2.gz HWUZXWZEGOURKM-QGZVFWFLSA-N -1 3 421.946 4.854 40 0 HJABHM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000226243601 569278775 /nfs/dbraw/zinc/27/87/75/569278775.db2.gz HYZXSDLJIZUBDD-UHFFFAOYSA-N -1 3 421.360 4.887 40 0 HJABHM O=C1[N-][C@H](c2cccc(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408735177 557801776 /nfs/dbraw/zinc/80/17/76/557801776.db2.gz LBNVMHPKDMWYLJ-CQSZACIVSA-N -1 3 418.341 4.885 40 0 HJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1N1CCCC1=O ZINC000020040351 558325822 /nfs/dbraw/zinc/32/58/22/558325822.db2.gz CXXHLADHIHGJSX-UHFFFAOYSA-N -1 3 422.506 4.715 40 0 HJABHM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020453834 558367696 /nfs/dbraw/zinc/36/76/96/558367696.db2.gz CQIFDGRPTMKXLJ-UHFFFAOYSA-N -1 3 414.914 4.956 40 0 HJABHM O=C(Nc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020457297 558370454 /nfs/dbraw/zinc/37/04/54/558370454.db2.gz ICYHMSBIXZDZIA-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM CC(C)(C(=O)N[C@@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1)c1ccc(F)cc1 ZINC000019085054 558841158 /nfs/dbraw/zinc/84/11/58/558841158.db2.gz SCVIVCWFFOVHLZ-NRFANRHFSA-N -1 3 419.500 4.577 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000047465714 558842354 /nfs/dbraw/zinc/84/23/54/558842354.db2.gz UTVCNTICSTYCHO-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM Cc1c2cc(C)ccc2oc1CN[C@@H](c1cc(=O)[n-]c(-c2cccnc2)n1)C(C)C ZINC000019220510 558851654 /nfs/dbraw/zinc/85/16/54/558851654.db2.gz JMBUHPSKSACYBA-HSZRJFAPSA-N -1 3 402.498 4.682 40 0 HJABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)cc1 ZINC000013804632 558883348 /nfs/dbraw/zinc/88/33/48/558883348.db2.gz IDGCKJXQNAKQSW-HJOGWXRNSA-N -1 3 412.489 4.609 40 0 HJABHM COc1ccc(-c2cc(C(=O)Nc3ccccc3[O-])c3ccccc3n2)cc1OC ZINC000000798317 559279870 /nfs/dbraw/zinc/27/98/70/559279870.db2.gz BORFWCAWZDSKHR-UHFFFAOYSA-N -1 3 400.434 4.877 40 0 HJABHM CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])o2)c1 ZINC000000867617 559293086 /nfs/dbraw/zinc/29/30/86/559293086.db2.gz ZMSGWVMWATWONR-UHFFFAOYSA-N -1 3 419.462 4.529 40 0 HJABHM CCOc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])o2)cc1 ZINC000000867618 559293113 /nfs/dbraw/zinc/29/31/13/559293113.db2.gz KJISDJXVPCVGCI-UHFFFAOYSA-N -1 3 421.478 4.725 40 0 HJABHM COc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1[O-] ZINC000000915853 560549046 /nfs/dbraw/zinc/54/90/46/560549046.db2.gz QCXGFKJVWDRNON-UHFFFAOYSA-N -1 3 417.490 4.624 40 0 HJABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccccc1 ZINC000409018179 560666041 /nfs/dbraw/zinc/66/60/41/560666041.db2.gz YCUZQJJPFNDTQB-ATVHPVEESA-N -1 3 409.239 4.806 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc(C)c1[O-])N2 ZINC000409364594 560715253 /nfs/dbraw/zinc/71/52/53/560715253.db2.gz XPWWXZDDODFYTR-RCDCFZSISA-N -1 3 412.452 4.616 40 0 HJABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000409382944 560717509 /nfs/dbraw/zinc/71/75/09/560717509.db2.gz PERHNSUPHOJVPE-UHFFFAOYSA-N -1 3 420.469 4.510 40 0 HJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1C ZINC000013980917 560831328 /nfs/dbraw/zinc/83/13/28/560831328.db2.gz TWWKTJVDGMKMEK-MKMNVTDBSA-N -1 3 424.497 4.895 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3[O-])oc2c1 ZINC000017091090 560865916 /nfs/dbraw/zinc/86/59/16/560865916.db2.gz GQHAKDGLFCSIEB-UHFFFAOYSA-N -1 3 417.490 4.944 40 0 HJABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccccc4F)ccc32)cc1 ZINC000020766027 568458974 /nfs/dbraw/zinc/45/89/74/568458974.db2.gz RJCJTNDHAKTTFG-UHFFFAOYSA-N -1 3 424.497 4.528 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)c(C)cc2C)c(Cl)c1Cl ZINC000223422401 568548568 /nfs/dbraw/zinc/54/85/68/568548568.db2.gz PSZPDVFRJQDMCK-CYBMUJFWSA-N -1 3 402.343 4.967 40 0 HJABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000224610970 568588059 /nfs/dbraw/zinc/58/80/59/568588059.db2.gz ODFVBHZEKMFNMR-DHIUTWEWSA-N -1 3 412.518 4.755 40 0 HJABHM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc([O-])c(Br)c3)N21 ZINC000260763059 568737882 /nfs/dbraw/zinc/73/78/82/568737882.db2.gz IHYPZFSBNFQPAP-DQYPLSBCSA-N -1 3 404.333 4.529 40 0 HJABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(/C=C/C(=O)[O-])cc4)[C@@H]3C[C@@H]21 ZINC000257235207 568786107 /nfs/dbraw/zinc/78/61/07/568786107.db2.gz GWWVXEPFWFOJIH-LUOULBBBSA-N -1 3 419.521 4.676 40 0 HJABHM O=C([O-])c1ccc(CN2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 ZINC000257280587 568798781 /nfs/dbraw/zinc/79/87/81/568798781.db2.gz OLLOZPZACODKQP-LJQANCHMSA-N -1 3 410.901 4.997 40 0 HJABHM Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1[O-] ZINC000226243237 569278793 /nfs/dbraw/zinc/27/87/93/569278793.db2.gz LIGUUNOBRREJRV-UHFFFAOYSA-N -1 3 405.075 4.787 40 0 HJABHM CSc1nc2sc(C(=O)[N-]c3c(F)cccc3F)cc2c(N2CCCC2)n1 ZINC000007604260 569337887 /nfs/dbraw/zinc/33/78/87/569337887.db2.gz TZOVFPITJXZZKT-UHFFFAOYSA-N -1 3 406.483 4.544 40 0 HJABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000408549991 557397225 /nfs/dbraw/zinc/39/72/25/557397225.db2.gz AJLARJUMRJIRHX-UHFFFAOYSA-N -1 3 424.522 4.619 40 0 HJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccccc1C ZINC000408558779 557456141 /nfs/dbraw/zinc/45/61/41/557456141.db2.gz SZMRGZPLFZFUHR-UHFFFAOYSA-N -1 3 424.522 4.674 40 0 HJABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000408563604 557470022 /nfs/dbraw/zinc/47/00/22/557470022.db2.gz PVNRSGVBNFRZJG-RXVVDRJESA-N -1 3 424.463 4.752 40 0 HJABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000408585553 557489203 /nfs/dbraw/zinc/48/92/03/557489203.db2.gz ZOTHALCBLMWRIY-UHFFFAOYSA-N -1 3 415.559 4.821 40 0 HJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408584307 557489928 /nfs/dbraw/zinc/48/99/28/557489928.db2.gz NYRCZIJLSKJDOV-UHFFFAOYSA-N -1 3 401.532 4.512 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)NC(C)C ZINC000408606302 557518332 /nfs/dbraw/zinc/51/83/32/557518332.db2.gz ORASVABHCKVNDT-UHFFFAOYSA-N -1 3 424.522 4.726 40 0 HJABHM O=C(CSC1=N[C@H](c2ccccc2)CC(=O)[N-]1)N(c1ccccc1)c1ccccc1 ZINC000004813605 557601058 /nfs/dbraw/zinc/60/10/58/557601058.db2.gz JUWLEVQVCXUKOQ-NRFANRHFSA-N -1 3 415.518 4.702 40 0 HJABHM COc1ccc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1Cl ZINC000010544152 558259215 /nfs/dbraw/zinc/25/92/15/558259215.db2.gz ZHPLJLDICLQZGQ-LBPRGKRZSA-N -1 3 416.326 4.583 40 0 HJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cc1 ZINC000020459367 558371636 /nfs/dbraw/zinc/37/16/36/558371636.db2.gz LKSDAGKTXYGFRG-UHFFFAOYSA-N -1 3 420.962 4.854 40 0 HJABHM Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015600489 558745555 /nfs/dbraw/zinc/74/55/55/558745555.db2.gz KQFYNJMXXQBKIV-UHFFFAOYSA-N -1 3 418.877 4.841 40 0 HJABHM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000016575911 558796030 /nfs/dbraw/zinc/79/60/30/558796030.db2.gz ZSAWMBGJGWSQLQ-UHFFFAOYSA-N -1 3 424.522 4.628 40 0 HJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(C)(C)C ZINC000016780600 558806985 /nfs/dbraw/zinc/80/69/85/558806985.db2.gz JDFNPEWUDJQZEY-UHFFFAOYSA-N -1 3 412.349 4.946 40 0 HJABHM Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017092659 558821167 /nfs/dbraw/zinc/82/11/67/558821167.db2.gz BQKOZVVBXUIZIG-UHFFFAOYSA-N -1 3 421.453 4.775 40 0 HJABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C)c1 ZINC000101029044 558825282 /nfs/dbraw/zinc/82/52/82/558825282.db2.gz GGXVKOKJHJWILE-BVSLBCMMSA-N -1 3 418.518 4.724 40 0 HJABHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013688092 558855185 /nfs/dbraw/zinc/85/51/85/558855185.db2.gz LWGQZJYYCUEDKM-SDHOMARFSA-N -1 3 420.468 4.891 40 0 HJABHM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013757644 558865411 /nfs/dbraw/zinc/86/54/11/558865411.db2.gz XMMKDNVRLXROGB-AEMJNJESSA-N -1 3 410.489 4.721 40 0 HJABHM CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[n-]1 ZINC000019453488 558890828 /nfs/dbraw/zinc/89/08/28/558890828.db2.gz QNSQSCASLGURND-NRFANRHFSA-N -1 3 404.489 4.587 40 0 HJABHM Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)c1 ZINC000098072683 559126373 /nfs/dbraw/zinc/12/63/73/559126373.db2.gz YDFNVLIKJKXASP-UHFFFAOYSA-N -1 3 412.486 4.804 40 0 HJABHM Cc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000008371569 559282243 /nfs/dbraw/zinc/28/22/43/559282243.db2.gz CSMMNFXKSXSYBK-MHWRWJLKSA-N -1 3 402.928 4.503 40 0 HJABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000408957670 560657920 /nfs/dbraw/zinc/65/79/20/560657920.db2.gz VLIXYDRAWORKIN-GOSISDBHSA-N -1 3 420.859 4.837 40 0 HJABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000409025005 560667790 /nfs/dbraw/zinc/66/77/90/560667790.db2.gz JYBALMDZRSEICB-UHFFFAOYSA-N -1 3 424.566 4.914 40 0 HJABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Cl)c1)N2 ZINC000409101639 560677184 /nfs/dbraw/zinc/67/71/84/560677184.db2.gz WVOQTIMGIAZIQD-RVZJWNSFSA-N -1 3 402.844 4.865 40 0 HJABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000409178222 560687493 /nfs/dbraw/zinc/68/74/93/560687493.db2.gz JVGHQJMRBYGAPW-SUMWQHHRSA-N -1 3 420.884 4.603 40 0 HJABHM CCOc1c(Br)cc(-c2nc3ccccc3c(=O)[n-]2)cc1Br ZINC000409263720 560704575 /nfs/dbraw/zinc/70/45/75/560704575.db2.gz MGURRXTYXLCFBV-UHFFFAOYSA-N -1 3 424.092 4.926 40 0 HJABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409361631 560714925 /nfs/dbraw/zinc/71/49/25/560714925.db2.gz QNYPJNOBWUNBNA-FRIZHTMISA-N -1 3 400.416 4.741 40 0 HJABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccccc1F ZINC000409386450 560719814 /nfs/dbraw/zinc/71/98/14/560719814.db2.gz LQNZJOFZMXPEFJ-UHFFFAOYSA-N -1 3 420.469 4.510 40 0 HJABHM CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1[O-] ZINC000409412015 560721727 /nfs/dbraw/zinc/72/17/27/560721727.db2.gz PQNKVAJNPXKROM-UHFFFAOYSA-N -1 3 423.325 4.708 40 0 HJABHM CCCCCOc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C(=O)[N-]C(SCC)=NN12 ZINC000588229055 560743788 /nfs/dbraw/zinc/74/37/88/560743788.db2.gz BIEAVDSPIWNWNJ-NHCUHLMSSA-N -1 3 424.570 4.877 40 0 HJABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000010313830 560767104 /nfs/dbraw/zinc/76/71/04/560767104.db2.gz OHULYTGKOFINHN-UHFFFAOYSA-N -1 3 422.550 4.984 40 0 HJABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3[O-])oc2c1 ZINC000017092658 560867233 /nfs/dbraw/zinc/86/72/33/560867233.db2.gz APAMSKOSUNWNPH-UHFFFAOYSA-N -1 3 421.453 4.775 40 0 HJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000005047015 568431760 /nfs/dbraw/zinc/43/17/60/568431760.db2.gz FSNRYIANYKCYPE-BDTNDASRSA-N -1 3 418.880 4.700 40 0 HJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Cl ZINC000224412548 568580571 /nfs/dbraw/zinc/58/05/71/568580571.db2.gz CLUZXJOGBXUBPK-UHFFFAOYSA-N -1 3 414.870 4.863 40 0 HJABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c(C)c1 ZINC000028206687 568594650 /nfs/dbraw/zinc/59/46/50/568594650.db2.gz DAIMNJLBYISAFV-UHFFFAOYSA-N -1 3 420.534 4.616 40 0 HJABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206867 568594939 /nfs/dbraw/zinc/59/49/39/568594939.db2.gz MZANLUSXLVBIHX-KRWDZBQOSA-N -1 3 420.534 4.641 40 0 HJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000224979414 568607319 /nfs/dbraw/zinc/60/73/19/568607319.db2.gz QACXKGUZQRMACK-UHFFFAOYSA-N -1 3 402.560 4.918 40 0 HJABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(/C=C/C(=O)[O-])cc4)[C@H]3C[C@H]21 ZINC000257235209 568786148 /nfs/dbraw/zinc/78/61/48/568786148.db2.gz GWWVXEPFWFOJIH-PHAONFTJSA-N -1 3 419.521 4.676 40 0 HJABHM CC(C)(C)OC(=O)n1c(-c2cnc[n-]c2=O)cc2c1cccc2OCc1ccccc1 ZINC000096312742 569072447 /nfs/dbraw/zinc/07/24/47/569072447.db2.gz WKIGHBKEUTXUIK-UHFFFAOYSA-N -1 3 417.465 4.754 40 0 HJABHM CC(C)(C)OC(=O)n1c(-c2cnc[n-]c2=O)cc2ccc(OCc3ccccc3)cc21 ZINC000096312747 569072463 /nfs/dbraw/zinc/07/24/63/569072463.db2.gz GXKVNIGZUYCONM-UHFFFAOYSA-N -1 3 417.465 4.754 40 0 HJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000005891901 569329124 /nfs/dbraw/zinc/32/91/24/569329124.db2.gz RHTPNTBIHVBGSE-UHFFFAOYSA-N -1 3 404.850 4.532 40 0 HJABHM