smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1cc2c(n1)nc([N-]C(=O)Nc1ccc(OC)cc1)n1nc(-c3ccco3)nc21 ZINC000000602413 193859401 /nfs/dbraw/zinc/85/94/01/193859401.db2.gz CJRNHKSLHHWUAB-UHFFFAOYSA-N -1 3 432.444 3.797 40 0 in-vitro IHABHM CCCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)c1 ZINC000035993550 520471701 /nfs/dbraw/zinc/47/17/01/520471701.db2.gz IVOIDBVVNSDLPP-OPYAIIAOSA-N -1 3 436.430 3.888 40 0 IHABHM COc1ccc(-c2nn3c(nnc3SCC(=O)c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000022720497 523250711 /nfs/dbraw/zinc/25/07/11/523250711.db2.gz WTZGIWZXBKHRLG-UHFFFAOYSA-N -1 3 427.873 3.529 40 0 IHABHM COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[n-]c(C)n3)C2)s1 ZINC000012163634 523668912 /nfs/dbraw/zinc/66/89/12/523668912.db2.gz UFZFCCAQBDNMTP-DLBZAZTESA-N -1 3 425.510 3.593 40 0 IHABHM Cc1cccc(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000022720340 524604762 /nfs/dbraw/zinc/60/47/62/524604762.db2.gz BTCCTDOHMBPSGY-UHFFFAOYSA-N -1 3 426.889 3.585 40 0 IHABHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3c(C)cc(C)cc3C)[n-]c2=O)cc1 ZINC000022721016 524696869 /nfs/dbraw/zinc/69/68/69/524696869.db2.gz XIQQFOGHIZRZIF-UHFFFAOYSA-N -1 3 448.552 3.780 40 0 IHABHM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408550579 555866387 /nfs/dbraw/zinc/86/63/87/555866387.db2.gz DMZUPKIMOHNIFA-UHFFFAOYSA-N -1 3 441.347 3.543 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)cc1 ZINC000408564150 555917418 /nfs/dbraw/zinc/91/74/18/555917418.db2.gz SBAASPWJJYRLNI-UHFFFAOYSA-N -1 3 442.493 3.766 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000408605406 555966101 /nfs/dbraw/zinc/96/61/01/555966101.db2.gz KBXASKVBCQOTDM-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1OCC ZINC000030858641 556510774 /nfs/dbraw/zinc/51/07/74/556510774.db2.gz JETIHNZWPGZMCI-ZDUSSCGKSA-N -1 3 440.949 4.000 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1 ZINC000015439067 556528257 /nfs/dbraw/zinc/52/82/57/556528257.db2.gz AZCWSYZPNJTWGG-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM O=C(c1cccc([O-])c1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000032101370 556529448 /nfs/dbraw/zinc/52/94/48/556529448.db2.gz IIVWTGMLRYEZPF-MRXNPFEDSA-N -1 3 429.192 3.656 40 0 IHABHM O=C(c1cccc([O-])c1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000032101373 556529466 /nfs/dbraw/zinc/52/94/66/556529466.db2.gz IIVWTGMLRYEZPF-INIZCTEOSA-N -1 3 429.192 3.656 40 0 IHABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000040390443 556636988 /nfs/dbraw/zinc/63/69/88/556636988.db2.gz ZNCCGRRQANXUNU-ROUUACIJSA-N -1 3 437.544 3.727 40 0 IHABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399356 556642106 /nfs/dbraw/zinc/64/21/06/556642106.db2.gz HKWLDHMVQVGINA-HNNXBMFYSA-N -1 3 437.887 3.794 40 0 IHABHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(Cc3cccs3)CC4)C2)cc1 ZINC000019135211 556705731 /nfs/dbraw/zinc/70/57/31/556705731.db2.gz AIPFSPLTDSUUJE-IBGZPJMESA-N -1 3 448.592 3.718 40 0 IHABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013749929 556725579 /nfs/dbraw/zinc/72/55/79/556725579.db2.gz VQCOQBCTHBUVPH-VJBWXMMDSA-N -1 3 448.450 3.894 40 0 IHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2cccc(F)c2)cc(=O)[n-]1 ZINC000019240950 556726955 /nfs/dbraw/zinc/72/69/55/556726955.db2.gz IWWPGLIWRRKWKN-QKKBWIMNSA-N -1 3 434.471 3.566 40 0 IHABHM O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019293298 556732895 /nfs/dbraw/zinc/73/28/95/556732895.db2.gz PCRXTFHTWNFRJG-UHFFFAOYSA-N -1 3 434.443 3.932 40 0 IHABHM O=C(CC1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343636 556741570 /nfs/dbraw/zinc/74/15/70/556741570.db2.gz QRWYQWJEVAFDPW-SFHVURJKSA-N -1 3 440.613 3.676 40 0 IHABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000006576907 556837514 /nfs/dbraw/zinc/83/75/14/556837514.db2.gz KGEQGIAXPBGPBH-FDFHNCONSA-N -1 3 434.423 3.591 40 0 IHABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980627 556890025 /nfs/dbraw/zinc/89/00/25/556890025.db2.gz QCHSKSXIISNLHP-LJQANCHMSA-N -1 3 448.441 3.623 40 0 IHABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc2ccccc2c1 ZINC000071980625 556890101 /nfs/dbraw/zinc/89/01/01/556890101.db2.gz HYCVXVBXYUECLO-HSZRJFAPSA-N -1 3 430.504 3.758 40 0 IHABHM CCc1nnc([N-]c2cccc([C@@H]3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1 ZINC000072375957 556953599 /nfs/dbraw/zinc/95/35/99/556953599.db2.gz YKVVYUPGQCDELN-QGZVFWFLSA-N -1 3 428.606 3.677 40 0 IHABHM O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2cc(Br)ccc21)N1CCCCC1 ZINC000409129162 556967051 /nfs/dbraw/zinc/96/70/51/556967051.db2.gz IXLRARJDECBXNV-PXNMLYILSA-N -1 3 448.342 3.740 40 0 IHABHM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1[O-] ZINC000409235234 557026203 /nfs/dbraw/zinc/02/62/03/557026203.db2.gz OGTOOMSGFNQQPD-LICLKQGHSA-N -1 3 443.887 3.538 40 0 IHABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1[O-] ZINC000409245820 557027702 /nfs/dbraw/zinc/02/77/02/557027702.db2.gz ZKYCZILHDXVHGR-VIZOYTHASA-N -1 3 436.848 3.868 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccccc1Cl ZINC000409390143 557101446 /nfs/dbraw/zinc/10/14/46/557101446.db2.gz JQKKTIHXRUNXHW-UHFFFAOYSA-N -1 3 448.903 3.975 40 0 IHABHM CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc(Br)ccc1[O-] ZINC000409411358 557104468 /nfs/dbraw/zinc/10/44/68/557104468.db2.gz GYRAONDXOOZBBW-UHFFFAOYSA-N -1 3 447.358 3.842 40 0 IHABHM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102763569 557132649 /nfs/dbraw/zinc/13/26/49/557132649.db2.gz IYRVNKAGCDPRBN-XPWALMASSA-N -1 3 445.450 3.835 40 0 IHABHM COC(=O)c1cnc([N-]c2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(C)n2)s1 ZINC000585262720 557201930 /nfs/dbraw/zinc/20/19/30/557201930.db2.gz YEUPVYQBSRITEL-CYBMUJFWSA-N -1 3 433.534 3.886 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)CC1 ZINC000100221313 557248954 /nfs/dbraw/zinc/24/89/54/557248954.db2.gz WSGVWDDSZXACBF-BWAGFHJFSA-N -1 3 432.524 3.849 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4cccc(F)c4)[n-]n3c2=O)C1 ZINC000100234050 557252059 /nfs/dbraw/zinc/25/20/59/557252059.db2.gz VPCVHVHXQFCGIY-NRFANRHFSA-N -1 3 437.519 3.708 40 0 IHABHM O=C([O-])c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102740767 557306742 /nfs/dbraw/zinc/30/67/42/557306742.db2.gz VARXRXVMXBPTGE-ACRUOGEOSA-N -1 3 432.407 3.575 40 0 IHABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000223305379 557457225 /nfs/dbraw/zinc/45/72/25/557457225.db2.gz ATTIFHDHEGHYJY-UHFFFAOYSA-N -1 3 440.521 3.533 40 0 IHABHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c(C)cc21 ZINC000223355189 557461796 /nfs/dbraw/zinc/46/17/96/557461796.db2.gz ZUSPRWVJIMBJGV-UHFFFAOYSA-N -1 3 429.267 3.625 40 0 IHABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000223647469 557496773 /nfs/dbraw/zinc/49/67/73/557496773.db2.gz GBPHUJCTCWNSGS-UHFFFAOYSA-N -1 3 428.297 3.672 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(CN3CCCC3=O)cc2)c(Cl)c1Cl ZINC000223695382 557503022 /nfs/dbraw/zinc/50/30/22/557503022.db2.gz NAORMSRNNWOSIQ-UHFFFAOYSA-N -1 3 443.352 3.603 40 0 IHABHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c1 ZINC000225423499 557721737 /nfs/dbraw/zinc/72/17/37/557721737.db2.gz DLSAJUFHTYUFFS-KRWDZBQOSA-N -1 3 430.555 3.509 40 0 IHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225709403 557767085 /nfs/dbraw/zinc/76/70/85/557767085.db2.gz IXMIELQPRKZHSX-UHFFFAOYSA-N -1 3 440.930 3.885 40 0 IHABHM CCOc1cc(-c2cc(-c3cc(Br)c([O-])c(OC)c3)nn2CCO)ccc1O ZINC000257231260 568679371 /nfs/dbraw/zinc/67/93/71/568679371.db2.gz GFYULUHWNYNTFZ-UHFFFAOYSA-N -1 3 449.301 3.790 40 0 IHABHM O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019014874 569226160 /nfs/dbraw/zinc/22/61/60/569226160.db2.gz WXPNYVUTICKDGZ-KNQAVFIVSA-N -1 3 442.604 3.886 40 0 IHABHM CCC[C@@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000077300650 569293372 /nfs/dbraw/zinc/29/33/72/569293372.db2.gz MGRMJQDIUBITKP-LJQANCHMSA-N -1 3 438.919 3.758 40 0 in-vitro IHABHM CCC[C@@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000077300650 569293373 /nfs/dbraw/zinc/29/33/73/569293373.db2.gz MGRMJQDIUBITKP-LJQANCHMSA-N -1 3 438.919 3.758 40 0 in-vitro IHABHM CCOc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1OCC ZINC000095534564 569374582 /nfs/dbraw/zinc/37/45/82/569374582.db2.gz ODNQHWVWNFUKTP-KRWDZBQOSA-N -1 3 433.306 3.785 40 0 IHABHM CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012256487 521180675 /nfs/dbraw/zinc/18/06/75/521180675.db2.gz CUBBFCPYKSBKDW-KRWDZBQOSA-N -1 3 448.523 3.816 40 0 IHABHM CN(C)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc(F)cc3F)s2)cc1 ZINC000035314368 522224741 /nfs/dbraw/zinc/22/47/41/522224741.db2.gz RMXZRYQSKWXEAR-UHFFFAOYSA-N -1 3 449.508 3.865 40 0 IHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1Cl ZINC000408625375 555995976 /nfs/dbraw/zinc/99/59/76/555995976.db2.gz SHZLEVHRXIRLCT-UHFFFAOYSA-N -1 3 440.949 3.835 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000408627207 555998092 /nfs/dbraw/zinc/99/80/92/555998092.db2.gz YJZOGCXZHCMWID-JTQLQIEISA-N -1 3 436.839 3.673 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)c(C)c2)cc1 ZINC000408675318 556069399 /nfs/dbraw/zinc/06/93/99/556069399.db2.gz HKPVCFXJHASIDD-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(C)c2)cc1 ZINC000408676441 556071310 /nfs/dbraw/zinc/07/13/10/556071310.db2.gz OAWUVWOOMTWVIM-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(I)cc2C)cc1 ZINC000408703591 556108498 /nfs/dbraw/zinc/10/84/98/556108498.db2.gz UDSSKASCGBPJIE-UHFFFAOYSA-N -1 3 444.294 3.614 40 0 IHABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000040400061 556642971 /nfs/dbraw/zinc/64/29/71/556642971.db2.gz KODUIRCHXYUSDA-MRXNPFEDSA-N -1 3 447.495 3.710 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 ZINC000040400533 556643325 /nfs/dbraw/zinc/64/33/25/556643325.db2.gz GUTCKXYJKFUDCY-CQSZACIVSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C5CCCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019135511 556706213 /nfs/dbraw/zinc/70/62/13/556706213.db2.gz PZGDVFMFQMLZLK-HXUWFJFHSA-N -1 3 448.567 3.585 40 0 IHABHM COc1cccc(-c2cc(C(=O)N[C@@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)no2)c1 ZINC000019285380 556727184 /nfs/dbraw/zinc/72/71/84/556727184.db2.gz MJZZRLCJMSZBSL-FQEVSTJZSA-N -1 3 448.454 3.595 40 0 IHABHM O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343687 556741786 /nfs/dbraw/zinc/74/17/86/556741786.db2.gz MJZLESSYNDXLJD-SFHVURJKSA-N -1 3 440.594 3.819 40 0 IHABHM O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349414 556744446 /nfs/dbraw/zinc/74/44/46/556744446.db2.gz VVNZOKBFULSFLM-JOCHJYFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C(CCCOc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019350263 556744727 /nfs/dbraw/zinc/74/47/27/556744727.db2.gz CYJKUKLNTQKPMS-UHFFFAOYSA-N -1 3 442.516 3.598 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c(C)c1 ZINC000000916474 556747412 /nfs/dbraw/zinc/74/74/12/556747412.db2.gz PKTSOFVQKGXPJT-QFIPXVFZSA-N -1 3 438.505 3.883 40 0 IHABHM CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000019448059 556757220 /nfs/dbraw/zinc/75/72/20/556757220.db2.gz JBLKIMWVVMNMBK-HXUWFJFHSA-N -1 3 439.585 3.559 40 0 IHABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)cc1 ZINC000019555508 556798225 /nfs/dbraw/zinc/79/82/25/556798225.db2.gz UOQXCHZXAPPFDN-QFIPXVFZSA-N -1 3 436.556 3.603 40 0 IHABHM CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019581331 556819250 /nfs/dbraw/zinc/81/92/50/556819250.db2.gz DGGXMAKZNCFKSS-KRWDZBQOSA-N -1 3 438.553 3.836 40 0 IHABHM C=Cn1cc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019584165 556821669 /nfs/dbraw/zinc/82/16/69/556821669.db2.gz VFQMUBMLWXQGMH-FQEVSTJZSA-N -1 3 426.492 3.681 40 0 IHABHM Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 ZINC000072373137 556945359 /nfs/dbraw/zinc/94/53/59/556945359.db2.gz AIFNHELYYMAJTM-PBDKAQRYSA-N -1 3 449.595 3.745 40 0 IHABHM COc1cc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)c(OC)cc1Cl ZINC000019937711 556951728 /nfs/dbraw/zinc/95/17/28/556951728.db2.gz FWOXSAMQZNGJOZ-UHFFFAOYSA-N -1 3 434.279 3.942 40 0 IHABHM COc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1OC ZINC000019937730 556951734 /nfs/dbraw/zinc/95/17/34/556951734.db2.gz VYBDFPMTOHZPQK-CYBMUJFWSA-N -1 3 427.888 3.527 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 ZINC000072376329 556954462 /nfs/dbraw/zinc/95/44/62/556954462.db2.gz OSYOZIWEYAIJDT-LJQANCHMSA-N -1 3 442.520 3.600 40 0 IHABHM CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000409211346 557005822 /nfs/dbraw/zinc/00/58/22/557005822.db2.gz MYZPUYMHQCKBQL-GDNBJRDFSA-N -1 3 426.922 3.739 40 0 IHABHM COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000409215944 557010750 /nfs/dbraw/zinc/01/07/50/557010750.db2.gz GTDIJCDCROXVLK-SXGWCWSVSA-N -1 3 448.884 3.738 40 0 IHABHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[n-]c(COc2ccccc2)n1 ZINC000409385030 557092143 /nfs/dbraw/zinc/09/21/43/557092143.db2.gz IBKWXLHHZMHMQP-UHFFFAOYSA-N -1 3 446.554 3.970 40 0 IHABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000006576905 557121949 /nfs/dbraw/zinc/12/19/49/557121949.db2.gz KGEQGIAXPBGPBH-FKBYEOEOSA-N -1 3 434.423 3.591 40 0 IHABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100673304 557269140 /nfs/dbraw/zinc/26/91/40/557269140.db2.gz APARKEVXSWZVIP-FSSWDIPSSA-N -1 3 446.434 3.663 40 0 IHABHM CCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000013083562 557276941 /nfs/dbraw/zinc/27/69/41/557276941.db2.gz HCMZQDRZRNUDFB-OAHLLOKOSA-N -1 3 428.924 3.525 40 0 IHABHM O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013116834 557296409 /nfs/dbraw/zinc/29/64/09/557296409.db2.gz VMXIQMJTYJOAHB-INIZCTEOSA-N -1 3 448.914 3.648 40 0 IHABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000222798693 557387942 /nfs/dbraw/zinc/38/79/42/557387942.db2.gz UQZLTLHAZJGOBP-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM C[C@@H]1CCCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)C1 ZINC000223171214 557441232 /nfs/dbraw/zinc/44/12/32/557441232.db2.gz XAKLUQFYSPUGTG-SECBINFHSA-N -1 3 435.358 3.518 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1cccc(C)c1 ZINC000223497795 557479540 /nfs/dbraw/zinc/47/95/40/557479540.db2.gz GLTPPDKDCBBBGH-UHFFFAOYSA-N -1 3 430.389 3.978 40 0 IHABHM O=S(=O)(Cc1cccc(Br)c1)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223655848 557497992 /nfs/dbraw/zinc/49/79/92/557497992.db2.gz COMHWVXPWHBACI-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000223749623 557508859 /nfs/dbraw/zinc/50/88/59/557508859.db2.gz OZYWRUWXRHWZSI-LBPRGKRZSA-N -1 3 436.946 3.792 40 0 IHABHM CC1CCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)CC1 ZINC000224372227 557598885 /nfs/dbraw/zinc/59/88/85/557598885.db2.gz YVTNUJXQOSTGBW-UHFFFAOYSA-N -1 3 435.358 3.518 40 0 IHABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)cc1 ZINC000224978132 557673723 /nfs/dbraw/zinc/67/37/23/557673723.db2.gz UVHCBOXAJCEEHA-KRWDZBQOSA-N -1 3 430.555 3.509 40 0 IHABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000225287731 557709270 /nfs/dbraw/zinc/70/92/70/557709270.db2.gz GDEOAJHHJDPHOG-LBPRGKRZSA-N -1 3 436.946 3.792 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1 ZINC000225763647 557774195 /nfs/dbraw/zinc/77/41/95/557774195.db2.gz ZWODJIGLVXXJNS-KRWDZBQOSA-N -1 3 430.555 3.837 40 0 IHABHM CC(C)=CCc1c2c(c([O-])c3c1O[C@@H]1Oc4cc(O)ccc4[C@]1(O)C3=O)C=CC(C)(C)O2 ZINC000015203533 560229190 /nfs/dbraw/zinc/22/91/90/560229190.db2.gz DQNIDSLDXGTEPL-ZCYQVOJMSA-N -1 3 436.460 3.972 40 0 biogenic,in-vitro IHABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[n-]c(=O)c3C2)cc1 ZINC000247867452 569206349 /nfs/dbraw/zinc/20/63/49/569206349.db2.gz BNQWYXJCFUPZJG-XXBNENTESA-N -1 3 448.567 3.769 40 0 IHABHM CCc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)[O-])c1 ZINC000005956505 569218567 /nfs/dbraw/zinc/21/85/67/569218567.db2.gz IBYPCZOGLBHBTO-JOCHJYFZSA-N -1 3 427.541 3.751 40 0 IHABHM CN1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590211 569227375 /nfs/dbraw/zinc/22/73/75/569227375.db2.gz NTNGDOTZDZICGB-ZJSXRUAMSA-N -1 3 448.611 3.828 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1Cl ZINC000107662688 569250866 /nfs/dbraw/zinc/25/08/66/569250866.db2.gz QOULLXLORGXGSM-UHFFFAOYSA-N -1 3 438.933 3.587 40 0 IHABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1[O-] ZINC000205731180 569255628 /nfs/dbraw/zinc/25/56/28/569255628.db2.gz BFEWWWGMNAYAFE-NTUHNPAUSA-N -1 3 444.303 3.541 40 0 IHABHM O=c1cc(CSc2ccccn2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611747 132351968 /nfs/dbraw/zinc/35/19/68/132351968.db2.gz UWANUUKOBKHQQA-UHFFFAOYSA-N -1 3 447.486 3.803 40 0 IHABHM COc1ccc([C@@H]2CN(C(=O)c3c(C)onc3C(C)C)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000012163612 525254674 /nfs/dbraw/zinc/25/46/74/525254674.db2.gz RYEYWXMRCJFUSY-RBUKOAKNSA-N -1 3 436.512 3.942 40 0 IHABHM O=C(NCc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022530783 526700511 /nfs/dbraw/zinc/70/05/11/526700511.db2.gz AMDVEUKZXHCFSJ-UHFFFAOYSA-N -1 3 444.896 3.800 40 0 IHABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(F)cc1F ZINC000408542948 555790703 /nfs/dbraw/zinc/79/07/03/555790703.db2.gz LUFHBXLTSXHTBT-UHFFFAOYSA-N -1 3 441.257 3.949 40 0 IHABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(F)cc1F ZINC000408542948 555790706 /nfs/dbraw/zinc/79/07/06/555790706.db2.gz LUFHBXLTSXHTBT-UHFFFAOYSA-N -1 3 441.257 3.949 40 0 IHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408556047 555893379 /nfs/dbraw/zinc/89/33/79/555893379.db2.gz ZBACVFQIUSMDRE-AWEZNQCLSA-N -1 3 440.949 3.833 40 0 IHABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408576412 555926690 /nfs/dbraw/zinc/92/66/90/555926690.db2.gz UMUWTEDKZIHSGI-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(Cl)c2)cc1 ZINC000408591027 555951091 /nfs/dbraw/zinc/95/10/91/555951091.db2.gz IMOLKNJQCCXTGI-UHFFFAOYSA-N -1 3 445.928 3.539 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000408608905 555979410 /nfs/dbraw/zinc/97/94/10/555979410.db2.gz QIIAYNCBWMSQIM-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H]3COC(=O)[C@@H]32)cc(Br)c1[O-] ZINC000005767110 556065066 /nfs/dbraw/zinc/06/50/66/556065066.db2.gz YHYWCWAKWGMRSK-DPMMWBKBSA-N -1 3 449.297 3.658 40 0 IHABHM CC(=O)Oc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100662904 556564702 /nfs/dbraw/zinc/56/47/02/556564702.db2.gz UVAZWQPBCIEZCG-ZLNRFVROSA-N -1 3 446.434 3.802 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccco2)cc1 ZINC000100799330 556591463 /nfs/dbraw/zinc/59/14/63/556591463.db2.gz KRTFUMFAYMRUBY-VSKRKVRLSA-N -1 3 446.459 3.816 40 0 IHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c(Cl)c1 ZINC000044885788 556675580 /nfs/dbraw/zinc/67/55/80/556675580.db2.gz SGKOIWCDCXUTKF-UHFFFAOYSA-N -1 3 435.933 3.590 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085260 556698959 /nfs/dbraw/zinc/69/89/59/556698959.db2.gz ZCBDAZIQPZBEIM-UXHICEINSA-N -1 3 440.588 3.607 40 0 IHABHM Cc1cc(C)n2ncc(C(=O)N3CCC(Cc4nc(-c5ccsc5)cc(=O)[n-]4)CC3)c2n1 ZINC000019116524 556699938 /nfs/dbraw/zinc/69/99/38/556699938.db2.gz AEGKDZJVAIWJGA-UHFFFAOYSA-N -1 3 448.552 3.665 40 0 IHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019240946 556726816 /nfs/dbraw/zinc/72/68/16/556726816.db2.gz SPOMRHLZUJQLJU-SPLOXXLWSA-N -1 3 434.471 3.566 40 0 IHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019240945 556726942 /nfs/dbraw/zinc/72/69/42/556726942.db2.gz SPOMRHLZUJQLJU-QKKBWIMNSA-N -1 3 434.471 3.566 40 0 IHABHM CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019500098 556772153 /nfs/dbraw/zinc/77/21/53/556772153.db2.gz JQCGSOQJZISENK-IBGZPJMESA-N -1 3 438.572 3.501 40 0 IHABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)CCC4CCCC4)C2)[n-]c3=O)cc1 ZINC000001334142 556775715 /nfs/dbraw/zinc/77/57/15/556775715.db2.gz DIVSEMDVAPCFHT-HXUWFJFHSA-N -1 3 448.571 3.548 40 0 IHABHM COc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc(OC)c1OC ZINC000019549783 556794678 /nfs/dbraw/zinc/79/46/78/556794678.db2.gz HTFCQVKFCOMAEN-IBGZPJMESA-N -1 3 436.512 3.997 40 0 IHABHM COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc(Cl)c1[O-] ZINC000409213017 557007600 /nfs/dbraw/zinc/00/76/00/557007600.db2.gz RWTNFZGGHUYBML-NVNXTCNLSA-N -1 3 426.922 3.736 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccccc1C(C)C ZINC000078923817 557009669 /nfs/dbraw/zinc/00/96/69/557009669.db2.gz VJEKLZIBULGTCE-UHFFFAOYSA-N -1 3 428.348 3.938 40 0 IHABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000409374877 557090564 /nfs/dbraw/zinc/09/05/64/557090564.db2.gz AVMDAWWMIOPFAG-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412702 557109148 /nfs/dbraw/zinc/10/91/48/557109148.db2.gz ZFTOLTYEWOMNDW-UHFFFAOYSA-N -1 3 440.348 3.620 40 0 IHABHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000102763063 557132767 /nfs/dbraw/zinc/13/27/67/557132767.db2.gz MDYBRCHPMKMXDC-HBMCJLEFSA-N -1 3 432.407 3.575 40 0 IHABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000219286970 557235660 /nfs/dbraw/zinc/23/56/60/557235660.db2.gz NOJKQYKYNOZVBG-MRXNPFEDSA-N -1 3 426.922 3.610 40 0 IHABHM COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000219286686 557235734 /nfs/dbraw/zinc/23/57/34/557235734.db2.gz BEFJGRBEORILQU-QGZVFWFLSA-N -1 3 438.933 3.752 40 0 IHABHM CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000013083161 557276538 /nfs/dbraw/zinc/27/65/38/557276538.db2.gz NRARBQJENVXZET-UHFFFAOYSA-N -1 3 442.951 3.915 40 0 IHABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000222674985 557372361 /nfs/dbraw/zinc/37/23/61/557372361.db2.gz IUTHRQYHAFDUNB-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)cc1 ZINC000222682621 557373517 /nfs/dbraw/zinc/37/35/17/557373517.db2.gz DZJBNSJEGRBALP-UHFFFAOYSA-N -1 3 442.512 3.972 40 0 IHABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000223284362 557455780 /nfs/dbraw/zinc/45/57/80/557455780.db2.gz MPMFQGWCYIWSGU-SFTDATJTSA-N -1 3 436.537 3.574 40 0 IHABHM COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000224079709 557557136 /nfs/dbraw/zinc/55/71/36/557557136.db2.gz JAODNIOQTUFKEJ-UHFFFAOYSA-N -1 3 444.484 3.574 40 0 IHABHM O=C(NCCOc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224407718 557602887 /nfs/dbraw/zinc/60/28/87/557602887.db2.gz GCUXCPNIRHEHKT-UHFFFAOYSA-N -1 3 430.913 3.950 40 0 IHABHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000224573693 557625478 /nfs/dbraw/zinc/62/54/78/557625478.db2.gz GGERQTGDXMLWRG-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(OC)cc1 ZINC000225321994 557711223 /nfs/dbraw/zinc/71/12/23/557711223.db2.gz WGDQNNUJIOPPQO-KRWDZBQOSA-N -1 3 446.554 3.537 40 0 IHABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1C ZINC000225534428 557738036 /nfs/dbraw/zinc/73/80/36/557738036.db2.gz XICONNNAZUVLSV-HNNXBMFYSA-N -1 3 430.555 3.755 40 0 IHABHM COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(I)c1[O-] ZINC000059484466 557825316 /nfs/dbraw/zinc/82/53/16/557825316.db2.gz PNNJVXRAQSIEFL-ZSOIEALJSA-N -1 3 435.217 3.658 40 0 IHABHM CC(C)=CCc1c2c(c([O-])c3c1O[C@H]1Oc4cc(O)ccc4[C@@]1(O)C3=O)C=CC(C)(C)O2 ZINC000015203535 560229142 /nfs/dbraw/zinc/22/91/42/560229142.db2.gz DQNIDSLDXGTEPL-ILBGXUMGSA-N -1 3 436.460 3.972 40 0 biogenic,in-vitro IHABHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002456898 562927866 /nfs/dbraw/zinc/92/78/66/562927866.db2.gz PVKTUPSPVOCINT-CYBMUJFWSA-N -1 3 432.527 3.614 40 0 IHABHM Cc1cc(CN2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc(C(=O)[O-])c1O ZINC000257212241 568670816 /nfs/dbraw/zinc/67/08/16/568670816.db2.gz CCMNHASYUANSKR-DBQGFPOUSA-N -1 3 439.508 3.996 40 0 IHABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C[C@@H]4C=CCC4)[n-]c(=O)c3C2)cc1 ZINC000247908838 569206339 /nfs/dbraw/zinc/20/63/39/569206339.db2.gz UBWKYTZCKVZNMI-JPYJTQIMSA-N -1 3 448.567 3.769 40 0 IHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000033572792 569244732 /nfs/dbraw/zinc/24/47/32/569244732.db2.gz HNWFQZLAPHICIF-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CCOc1ccc(CCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012256481 520940542 /nfs/dbraw/zinc/94/05/42/520940542.db2.gz ZIQZVDDKHOKFHK-UHFFFAOYSA-N -1 3 432.524 3.982 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000022539495 524250530 /nfs/dbraw/zinc/25/05/30/524250530.db2.gz ILKXSSPOTIZXQB-CVEARBPZSA-N -1 3 438.977 3.818 40 0 IHABHM CCCCOC(=O)[N-]C(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000001614347 555705939 /nfs/dbraw/zinc/70/59/39/555705939.db2.gz XPOWNEWTFGMXRK-UHFFFAOYSA-N -1 3 447.079 3.985 40 0 IHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562723 555906060 /nfs/dbraw/zinc/90/60/60/555906060.db2.gz RSQGKYWKDXTJAI-ZDUSSCGKSA-N -1 3 428.913 3.964 40 0 IHABHM C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408584365 555936827 /nfs/dbraw/zinc/93/68/27/555936827.db2.gz OTNFZHDAKPFXCD-KBPBESRZSA-N -1 3 429.369 3.798 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408610885 555981168 /nfs/dbraw/zinc/98/11/68/555981168.db2.gz UXVPHNCKGQREFU-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408635566 556013437 /nfs/dbraw/zinc/01/34/37/556013437.db2.gz DYVOVHLKWVEXMT-UHFFFAOYSA-N -1 3 440.949 3.835 40 0 IHABHM COc1cc(C2=N/C(=C\c3cc(Br)ccc3[O-])C(=O)O2)cc(OC)c1OC ZINC000005328235 556045730 /nfs/dbraw/zinc/04/57/30/556045730.db2.gz UGAHYGJQYLNTFR-QPEQYQDCSA-N -1 3 434.242 3.525 40 0 IHABHM COCCn1c(SCC(=O)NC2CCCC2)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905370 556109512 /nfs/dbraw/zinc/10/95/12/556109512.db2.gz RTCFUCYTTUAIMQ-UHFFFAOYSA-N -1 3 426.542 3.601 40 0 IHABHM Cc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)c1[O-] ZINC000032101291 556529431 /nfs/dbraw/zinc/52/94/31/556529431.db2.gz MLXONDQOPKMJKA-KRWDZBQOSA-N -1 3 443.219 3.964 40 0 IHABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000100990996 556633639 /nfs/dbraw/zinc/63/36/39/556633639.db2.gz KGEQGIAXPBGPBH-FSSWDIPSSA-N -1 3 434.423 3.591 40 0 IHABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399627 556642049 /nfs/dbraw/zinc/64/20/49/556642049.db2.gz DTNRKRCQOPPJJK-QGZVFWFLSA-N -1 3 443.438 3.870 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085295 556698915 /nfs/dbraw/zinc/69/89/15/556698915.db2.gz BQASSZZHMSHYAG-ICSRJNTNSA-N -1 3 440.588 3.607 40 0 IHABHM C[C@]12C[C@H](c3ccccc3)C[C@](C)(O1)[C@@H](O)[C@H](C[N-]S(=O)(=O)c1ccccc1F)CC2 ZINC000257317317 556703917 /nfs/dbraw/zinc/70/39/17/556703917.db2.gz VJHAAEXCSZPSDT-PPMIAYNCSA-N -1 3 447.572 3.987 40 0 IHABHM Cc1ccsc1CN1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)nc2C1 ZINC000019238705 556724027 /nfs/dbraw/zinc/72/40/27/556724027.db2.gz KFOLRBSZZKGQOJ-FXAWDEMLSA-N -1 3 438.597 3.718 40 0 IHABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CCC4CCCC4)C2)[n-]c3=O)cc1 ZINC000001334139 556775463 /nfs/dbraw/zinc/77/54/63/556775463.db2.gz DIVSEMDVAPCFHT-FQEVSTJZSA-N -1 3 448.571 3.548 40 0 IHABHM COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1C ZINC000019571224 556811308 /nfs/dbraw/zinc/81/13/08/556811308.db2.gz FOBPXLYTXBFZJC-FQEVSTJZSA-N -1 3 425.916 3.691 40 0 IHABHM CSCC[C@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574018 556814267 /nfs/dbraw/zinc/81/42/67/556814267.db2.gz PINNZJODQIABQM-KRWDZBQOSA-N -1 3 440.594 3.996 40 0 IHABHM CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cc1 ZINC000019584793 556822030 /nfs/dbraw/zinc/82/20/30/556822030.db2.gz IUGMXDRVANKUMY-QHCPKHFHSA-N -1 3 449.599 3.916 40 0 IHABHM CN(C)c1cccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c1 ZINC000019585072 556822098 /nfs/dbraw/zinc/82/20/98/556822098.db2.gz XHTULZXUOZKCDH-QHCPKHFHSA-N -1 3 439.519 3.612 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000019886491 556938709 /nfs/dbraw/zinc/93/87/09/556938709.db2.gz PGJONBJEEVJQCK-UHFFFAOYSA-N -1 3 437.521 3.631 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 ZINC000072376330 556954469 /nfs/dbraw/zinc/95/44/69/556954469.db2.gz OSYOZIWEYAIJDT-IBGZPJMESA-N -1 3 442.520 3.600 40 0 IHABHM CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009883 556959894 /nfs/dbraw/zinc/95/98/94/556959894.db2.gz VZNRBEOPQUGAFV-CRAIPNDOSA-N -1 3 438.977 3.543 40 0 IHABHM CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009892 556959965 /nfs/dbraw/zinc/95/99/65/556959965.db2.gz VZNRBEOPQUGAFV-YJBOKZPZSA-N -1 3 438.977 3.543 40 0 IHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 ZINC000020020096 556964132 /nfs/dbraw/zinc/96/41/32/556964132.db2.gz POGWLPQLELBGQJ-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)cc1C ZINC000020020016 556964204 /nfs/dbraw/zinc/96/42/04/556964204.db2.gz VTHBOSIIOQXCCV-UHFFFAOYSA-N -1 3 442.512 3.939 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cc(F)ccc1F ZINC000020020722 556964854 /nfs/dbraw/zinc/96/48/54/556964854.db2.gz QKJAKIBPOJSSDQ-UHFFFAOYSA-N -1 3 436.411 3.922 40 0 IHABHM Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)CN(C(C)C)CC5)CC2)cs1 ZINC000072398763 556970682 /nfs/dbraw/zinc/97/06/82/556970682.db2.gz VJAWXXLNKCPXGM-UHFFFAOYSA-N -1 3 439.585 3.591 40 0 IHABHM COc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000409392172 557096438 /nfs/dbraw/zinc/09/64/38/557096438.db2.gz PVSWRAZGBWIHQV-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409389241 557100662 /nfs/dbraw/zinc/10/06/62/557100662.db2.gz GUVNFOIHDSJRHK-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCOc2ccccc21 ZINC000222797618 557387838 /nfs/dbraw/zinc/38/78/38/557387838.db2.gz XZFCIJOTBKCJHK-UHFFFAOYSA-N -1 3 438.505 3.600 40 0 IHABHM COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223963280 557535346 /nfs/dbraw/zinc/53/53/46/557535346.db2.gz MEWJSBQMQLCVLG-UHFFFAOYSA-N -1 3 442.512 3.998 40 0 IHABHM CCOc1ccc(CCC[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000225757082 557773524 /nfs/dbraw/zinc/77/35/24/557773524.db2.gz IHAICMWXZUDNHD-UHFFFAOYSA-N -1 3 428.348 3.768 40 0 IHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000107733918 569251131 /nfs/dbraw/zinc/25/11/31/569251131.db2.gz UIMCYVFAEMFUOM-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000139107401 569254757 /nfs/dbraw/zinc/25/47/57/569254757.db2.gz ZNCCGRRQANXUNU-QZTJIDSGSA-N -1 3 437.544 3.727 40 0 IHABHM CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018068557 569284788 /nfs/dbraw/zinc/28/47/88/569284788.db2.gz IYRVNKAGCDPRBN-VABKMULXSA-N -1 3 445.450 3.835 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000008741682 569472913 /nfs/dbraw/zinc/47/29/13/569472913.db2.gz KRTFUMFAYMRUBY-FKBYEOEOSA-N -1 3 446.459 3.816 40 0 IHABHM COc1ccc(OCC(=O)[N-]C(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000033608198 569584699 /nfs/dbraw/zinc/58/46/99/569584699.db2.gz BKVMMRFXWWANJB-UHFFFAOYSA-N -1 3 429.523 3.719 40 0 IHABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000223285000 193962612 /nfs/dbraw/zinc/96/26/12/193962612.db2.gz KXFYHSXYZKWNCL-LEWJYISDSA-N -1 3 436.537 3.574 40 0 IHABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000223305454 193964740 /nfs/dbraw/zinc/96/47/40/193964740.db2.gz SJWDXFMXJCBAIF-UHFFFAOYSA-N -1 3 426.494 3.747 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000408605405 555966177 /nfs/dbraw/zinc/96/61/77/555966177.db2.gz KBXASKVBCQOTDM-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1c(Cl)cccc1Cl ZINC000408607158 555967449 /nfs/dbraw/zinc/96/74/49/555967449.db2.gz NBSFJLNYFUYLMV-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM O=C(CCCOc1cccc(F)c1)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000013267946 556501326 /nfs/dbraw/zinc/50/13/26/556501326.db2.gz NEFDLXOBARNTLI-UHFFFAOYSA-N -1 3 436.487 3.949 40 0 IHABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399355 556642075 /nfs/dbraw/zinc/64/20/75/556642075.db2.gz HKWLDHMVQVGINA-OAHLLOKOSA-N -1 3 437.887 3.794 40 0 IHABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000040399415 556642082 /nfs/dbraw/zinc/64/20/82/556642082.db2.gz ACRXNAZMDKCLHG-OAHLLOKOSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019210923 556709159 /nfs/dbraw/zinc/70/91/59/556709159.db2.gz JOUAXNRKTQRHRP-ZHRRBRCNSA-N -1 3 430.508 3.736 40 0 IHABHM Cc1ccc(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019210933 556709190 /nfs/dbraw/zinc/70/91/90/556709190.db2.gz JOUAXNRKTQRHRP-KSFYIVLOSA-N -1 3 430.508 3.736 40 0 IHABHM CSCC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019221233 556715401 /nfs/dbraw/zinc/71/54/01/556715401.db2.gz MQHVMGMDGVUZNH-SFHVURJKSA-N -1 3 447.564 3.856 40 0 IHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccccc2F)cc(=O)[n-]1 ZINC000019240953 556726813 /nfs/dbraw/zinc/72/68/13/556726813.db2.gz QHJAKFNDJCZVOM-VLIAUNLRSA-N -1 3 434.471 3.566 40 0 IHABHM O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019337600 556738866 /nfs/dbraw/zinc/73/88/66/556738866.db2.gz QEVICNYMTBJSLH-FQEVSTJZSA-N -1 3 435.553 3.564 40 0 IHABHM O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349290 556744042 /nfs/dbraw/zinc/74/40/42/556744042.db2.gz ZNHUDYMLKXBWQT-QFIPXVFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C(Cc1ccccc1)N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019370335 556747705 /nfs/dbraw/zinc/74/77/05/556747705.db2.gz GWNMPTWOABLIME-JOCHJYFZSA-N -1 3 428.467 3.614 40 0 IHABHM CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000019448057 556757241 /nfs/dbraw/zinc/75/72/41/556757241.db2.gz JBLKIMWVVMNMBK-FQEVSTJZSA-N -1 3 439.585 3.559 40 0 IHABHM CC1CCC(N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000019495950 556768408 /nfs/dbraw/zinc/76/84/08/556768408.db2.gz CKGXVPGKFLYRSA-LADRWXRNSA-N -1 3 426.586 3.746 40 0 IHABHM Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019569689 556809867 /nfs/dbraw/zinc/80/98/67/556809867.db2.gz ZVAINYSPAAAIMY-INIZCTEOSA-N -1 3 438.553 3.684 40 0 IHABHM CN(C)c1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)cc1 ZINC000019584811 556822066 /nfs/dbraw/zinc/82/20/66/556822066.db2.gz QIVANJYQOUVFGN-QHCPKHFHSA-N -1 3 439.519 3.612 40 0 IHABHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc(Cl)c1[O-] ZINC000006600360 556837779 /nfs/dbraw/zinc/83/77/79/556837779.db2.gz ZQTUCQRSOJZRKX-SFHVURJKSA-N -1 3 431.876 3.720 40 0 IHABHM COCCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905476 556840700 /nfs/dbraw/zinc/84/07/00/556840700.db2.gz WEYLEOLEEZTSMT-UHFFFAOYSA-N -1 3 441.538 3.638 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc2ccccc2c1 ZINC000071980624 556890052 /nfs/dbraw/zinc/89/00/52/556890052.db2.gz HYCVXVBXYUECLO-QHCPKHFHSA-N -1 3 430.504 3.758 40 0 IHABHM CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc([O-])c(I)c1 ZINC000409082781 556947909 /nfs/dbraw/zinc/94/79/09/556947909.db2.gz SSMSTFJEGDWOOZ-UVTDQMKNSA-N -1 3 442.322 3.729 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)CC1 ZINC000257325283 557004849 /nfs/dbraw/zinc/00/48/49/557004849.db2.gz WSGVWDDSZXACBF-STZQEDGTSA-N -1 3 432.524 3.849 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)CC1 ZINC000257342818 557008211 /nfs/dbraw/zinc/00/82/11/557008211.db2.gz ZQGJHGDYSLBEHP-SFGWALBWSA-N -1 3 442.604 3.742 40 0 IHABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000409390760 557095532 /nfs/dbraw/zinc/09/55/32/557095532.db2.gz LIUQWOCMKPAOKT-MRXNPFEDSA-N -1 3 428.485 3.883 40 0 IHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101083940 557120427 /nfs/dbraw/zinc/12/04/27/557120427.db2.gz ARZHICNHPZMVIN-XPWALMASSA-N -1 3 430.460 3.755 40 0 IHABHM COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)CC(C)(C)O2 ZINC000219286610 557235796 /nfs/dbraw/zinc/23/57/96/557235796.db2.gz QOLXWWTZVRRAMJ-QGZVFWFLSA-N -1 3 438.933 3.752 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4cccs4)[n-]n3c2=O)C1 ZINC000100234034 557252053 /nfs/dbraw/zinc/25/20/53/557252053.db2.gz DJUZJJNSPOIXKU-GOSISDBHSA-N -1 3 425.558 3.630 40 0 IHABHM CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)s4)[n-]n3c(=O)c2C1 ZINC000100233992 557252075 /nfs/dbraw/zinc/25/20/75/557252075.db2.gz SACAUOFHWRMGNJ-HXUWFJFHSA-N -1 3 439.585 3.827 40 0 IHABHM Cc1[n-][nH]c(=O)c1CCC(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 ZINC000100700605 557270509 /nfs/dbraw/zinc/27/05/09/557270509.db2.gz ICIKICMIMAIOML-OAQYLSRUSA-N -1 3 438.959 3.934 40 0 IHABHM CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000013083148 557276502 /nfs/dbraw/zinc/27/65/02/557276502.db2.gz YYGCPTBCZDMARN-UHFFFAOYSA-N -1 3 440.523 3.791 40 0 IHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)c1 ZINC000222689654 557374565 /nfs/dbraw/zinc/37/45/65/557374565.db2.gz PQEUMZIMSWJDBK-UHFFFAOYSA-N -1 3 442.512 3.972 40 0 IHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)c1 ZINC000222692285 557374922 /nfs/dbraw/zinc/37/49/22/557374922.db2.gz SWYQJTKYKQZPRB-UHFFFAOYSA-N -1 3 428.485 3.977 40 0 IHABHM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713443 557377524 /nfs/dbraw/zinc/37/75/24/557377524.db2.gz XZXVHGGCAOHXAY-INIZCTEOSA-N -1 3 440.496 3.983 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000223082949 557428227 /nfs/dbraw/zinc/42/82/27/557428227.db2.gz ITALWWGKGKHNTA-HNNXBMFYSA-N -1 3 436.946 3.873 40 0 IHABHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3Br)c(Cl)cc21 ZINC000223362878 557462767 /nfs/dbraw/zinc/46/27/67/557462767.db2.gz RFAIDAWWDCHYAR-UHFFFAOYSA-N -1 3 431.695 3.831 40 0 IHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000223617186 557492539 /nfs/dbraw/zinc/49/25/39/557492539.db2.gz FCONPNBKMYIKPS-UHFFFAOYSA-N -1 3 449.916 3.779 40 0 IHABHM COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223960259 557534919 /nfs/dbraw/zinc/53/49/19/557534919.db2.gz XCMGWIVQBAYIKU-UHFFFAOYSA-N -1 3 428.441 3.665 40 0 IHABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224541304 557618768 /nfs/dbraw/zinc/61/87/68/557618768.db2.gz VXAZLFCSNPCHRK-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224550191 557621130 /nfs/dbraw/zinc/62/11/30/557621130.db2.gz GQZORHJLOJMNFR-UHFFFAOYSA-N -1 3 438.477 3.708 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)NC(C)C ZINC000224960815 557671586 /nfs/dbraw/zinc/67/15/86/557671586.db2.gz CNGQHIZFMOXPHZ-UHFFFAOYSA-N -1 3 431.558 3.625 40 0 IHABHM CC(C)n1c(=O)sc2cc(NC(=O)c3cc([N-]S(C)(=O)=O)ccc3Cl)ccc21 ZINC000225162603 557694492 /nfs/dbraw/zinc/69/44/92/557694492.db2.gz BMMUBACBVBRTRL-UHFFFAOYSA-N -1 3 439.946 3.921 40 0 IHABHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000225284553 557708847 /nfs/dbraw/zinc/70/88/47/557708847.db2.gz AKSYSWLBCRBDEO-CQSZACIVSA-N -1 3 430.555 3.701 40 0 IHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000223886662 569182333 /nfs/dbraw/zinc/18/23/33/569182333.db2.gz CEMZBJXDNJMMBE-UHFFFAOYSA-N -1 3 434.695 3.699 40 0 IHABHM O=C(C[C@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019014877 569226090 /nfs/dbraw/zinc/22/60/90/569226090.db2.gz WXPNYVUTICKDGZ-DENIHFKCSA-N -1 3 442.604 3.886 40 0 IHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C ZINC000035131747 569248221 /nfs/dbraw/zinc/24/82/21/569248221.db2.gz UCEFGEZLJJJLPH-UHFFFAOYSA-N -1 3 441.505 3.927 40 0 IHABHM COc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc(F)cc3F)s2)c1 ZINC000035312272 526180545 /nfs/dbraw/zinc/18/05/45/526180545.db2.gz JENNYKAXKHWKIZ-UHFFFAOYSA-N -1 3 436.465 3.808 40 0 IHABHM O=C(CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21)Nc1ccc(Cl)cc1 ZINC000022720376 527091278 /nfs/dbraw/zinc/09/12/78/527091278.db2.gz XNNOZQUZGNFGDY-UHFFFAOYSA-N -1 3 447.307 3.930 40 0 IHABHM CCc1ccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)CC)cc3)o2)cc1 ZINC000001329702 555690293 /nfs/dbraw/zinc/69/02/93/555690293.db2.gz UISNOSANAFVRKJ-UHFFFAOYSA-N -1 3 446.554 3.791 40 0 IHABHM Cc1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408544840 555792770 /nfs/dbraw/zinc/79/27/70/555792770.db2.gz VNUYKGVWTNJQOV-UHFFFAOYSA-N -1 3 433.331 3.989 40 0 IHABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408605803 555966577 /nfs/dbraw/zinc/96/65/77/555966577.db2.gz NMSSNVODBSHCQN-QGZVFWFLSA-N -1 3 440.521 3.580 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1c(Cl)cccc1Cl ZINC000408607156 555967427 /nfs/dbraw/zinc/96/74/27/555967427.db2.gz NBSFJLNYFUYLMV-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408635874 556014333 /nfs/dbraw/zinc/01/43/33/556014333.db2.gz ISBQCJWABMOHEZ-CQSZACIVSA-N -1 3 440.949 3.833 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(C)c2)cc1 ZINC000408675345 556069355 /nfs/dbraw/zinc/06/93/55/556069355.db2.gz WGDSRYSRLCJNRZ-UHFFFAOYSA-N -1 3 432.542 3.586 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCCc1ccccc1 ZINC000408678553 556073209 /nfs/dbraw/zinc/07/32/09/556073209.db2.gz SPRZWGWSGLLOIN-UHFFFAOYSA-N -1 3 442.512 3.673 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000408705888 556112252 /nfs/dbraw/zinc/11/22/52/556112252.db2.gz POFJSAROFLHTGN-UHFFFAOYSA-N -1 3 432.542 3.767 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)cc1 ZINC000015439173 556528160 /nfs/dbraw/zinc/52/81/60/556528160.db2.gz OVRIHPRXJBRNIL-UHFFFAOYSA-N -1 3 442.493 3.766 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1N1CCCC1=O ZINC000038756135 556618130 /nfs/dbraw/zinc/61/81/30/556618130.db2.gz HDPWPRGQYTVXIJ-UHFFFAOYSA-N -1 3 443.294 3.524 40 0 IHABHM Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019136067 556706414 /nfs/dbraw/zinc/70/64/14/556706414.db2.gz WVNQWEIYCDEZQD-VGOFRKELSA-N -1 3 448.567 3.643 40 0 IHABHM CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101180475 556722909 /nfs/dbraw/zinc/72/29/09/556722909.db2.gz IZFKBBWLZQVYJB-VABKMULXSA-N -1 3 445.450 3.835 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3)[n-]c(=O)c2C1 ZINC000019238681 556723856 /nfs/dbraw/zinc/72/38/56/556723856.db2.gz IUXUWAAEYVJJAH-NRFANRHFSA-N -1 3 448.592 3.604 40 0 IHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccccc2F)cc(=O)[n-]1 ZINC000019240954 556726915 /nfs/dbraw/zinc/72/69/15/556726915.db2.gz QHJAKFNDJCZVOM-XOBRGWDASA-N -1 3 434.471 3.566 40 0 IHABHM COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1F ZINC000019285295 556727106 /nfs/dbraw/zinc/72/71/06/556727106.db2.gz ALOXGXOBNUUVLN-LJQANCHMSA-N -1 3 429.879 3.522 40 0 IHABHM O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019343216 556741125 /nfs/dbraw/zinc/74/11/25/556741125.db2.gz JZYBLKQKAYXBQX-HXUWFJFHSA-N -1 3 426.586 3.841 40 0 IHABHM O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343690 556741805 /nfs/dbraw/zinc/74/18/05/556741805.db2.gz MJZLESSYNDXLJD-GOSISDBHSA-N -1 3 440.594 3.819 40 0 IHABHM O=C(c1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019347561 556743217 /nfs/dbraw/zinc/74/32/17/556743217.db2.gz INLSPQUMPBMTNL-QFIPXVFZSA-N -1 3 447.514 3.642 40 0 IHABHM CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4cccc(F)c4)[n-]n3c(=O)c2C1 ZINC000019448061 556757207 /nfs/dbraw/zinc/75/72/07/556757207.db2.gz QKZLJKQMHVUTGF-NRFANRHFSA-N -1 3 437.519 3.708 40 0 IHABHM COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)[nH]c2c1 ZINC000019448363 556758120 /nfs/dbraw/zinc/75/81/20/556758120.db2.gz ZJXVNPKFWGGEFS-QFIPXVFZSA-N -1 3 449.555 3.806 40 0 IHABHM CCc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019521274 556778039 /nfs/dbraw/zinc/77/80/39/556778039.db2.gz BXAIUPWCEUOGTC-FQEVSTJZSA-N -1 3 447.470 3.544 40 0 IHABHM COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019558991 556801029 /nfs/dbraw/zinc/80/10/29/556801029.db2.gz QFCLMMPVQSKZNO-UHFFFAOYSA-N -1 3 430.917 3.575 40 0 IHABHM COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1F ZINC000019559580 556801210 /nfs/dbraw/zinc/80/12/10/556801210.db2.gz FEUQVKDDGUPSDD-SFHVURJKSA-N -1 3 427.501 3.942 40 0 IHABHM COc1cccc(C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1OC ZINC000019567265 556807561 /nfs/dbraw/zinc/80/75/61/556807561.db2.gz GMZJVKJAXWIOCL-UHFFFAOYSA-N -1 3 439.537 3.611 40 0 IHABHM COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1C ZINC000019571227 556811270 /nfs/dbraw/zinc/81/12/70/556811270.db2.gz FOBPXLYTXBFZJC-HXUWFJFHSA-N -1 3 425.916 3.691 40 0 IHABHM CSCC[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573973 556814052 /nfs/dbraw/zinc/81/40/52/556814052.db2.gz ZBBODJJYNJQFPS-INIZCTEOSA-N -1 3 440.594 3.996 40 0 IHABHM Cc1ncccc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019582892 556820370 /nfs/dbraw/zinc/82/03/70/556820370.db2.gz LHXSUUVCWZALTJ-QFIPXVFZSA-N -1 3 447.514 3.560 40 0 IHABHM C=Cn1cc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019584174 556821591 /nfs/dbraw/zinc/82/15/91/556821591.db2.gz LTIWSMMCJHLMDI-GOSISDBHSA-N -1 3 426.492 3.681 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1C ZINC000408927184 556892961 /nfs/dbraw/zinc/89/29/61/556892961.db2.gz TVRURPUWWUDJOE-QFIPXVFZSA-N -1 3 438.505 3.883 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)CC1 ZINC000257342817 557008305 /nfs/dbraw/zinc/00/83/05/557008305.db2.gz ZQGJHGDYSLBEHP-JLMWRMLUSA-N -1 3 442.604 3.742 40 0 IHABHM CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)s1 ZINC000409380847 557095201 /nfs/dbraw/zinc/09/52/01/557095201.db2.gz IWEVIEVZQMLQLS-UHFFFAOYSA-N -1 3 438.538 3.785 40 0 IHABHM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102759234 557132298 /nfs/dbraw/zinc/13/22/98/557132298.db2.gz IZFKBBWLZQVYJB-XPWALMASSA-N -1 3 445.450 3.835 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3OC)cc2)cc1 ZINC000012485414 557245335 /nfs/dbraw/zinc/24/53/35/557245335.db2.gz QJFRGGHBODNVOL-UHFFFAOYSA-N -1 3 442.493 3.522 40 0 IHABHM CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4ccc(C)s4)[n-]n3c2=O)C1 ZINC000100234126 557252391 /nfs/dbraw/zinc/25/23/91/557252391.db2.gz GLEQFXASIAGVGX-FQEVSTJZSA-N -1 3 439.585 3.827 40 0 IHABHM O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000100355305 557258598 /nfs/dbraw/zinc/25/85/98/557258598.db2.gz FWCNVJZIFZZVKR-XLIONFOSSA-N -1 3 449.260 3.729 40 0 IHABHM CCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)C1 ZINC000013083452 557276530 /nfs/dbraw/zinc/27/65/30/557276530.db2.gz SGADEIYYHISFHC-KRWDZBQOSA-N -1 3 436.560 3.779 40 0 IHABHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000102763066 557307745 /nfs/dbraw/zinc/30/77/45/557307745.db2.gz MDYBRCHPMKMXDC-NJYVYQBISA-N -1 3 432.407 3.575 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1OC ZINC000113939751 557310889 /nfs/dbraw/zinc/31/08/89/557310889.db2.gz YWLOBJOYBJRRBC-UHFFFAOYSA-N -1 3 448.541 3.529 40 0 IHABHM COc1ccccc1[C@H]1CC(=O)c2c[n-]c3nn(-c4nc5ccccc5o4)c(=O)c-3c2C1 ZINC000013639649 557384956 /nfs/dbraw/zinc/38/49/56/557384956.db2.gz CYWHXCJKFYJZRH-CYBMUJFWSA-N -1 3 426.432 3.776 40 0 IHABHM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ncccc1[O-] ZINC000017097802 557479989 /nfs/dbraw/zinc/47/99/89/557479989.db2.gz PVIHKBQZNYJLLH-UHFFFAOYSA-N -1 3 432.299 3.838 40 0 IHABHM O=S(=O)(Cc1ccc(Br)cc1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223652907 557497501 /nfs/dbraw/zinc/49/75/01/557497501.db2.gz AJWLFMJJUPWPKI-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224538157 557618180 /nfs/dbraw/zinc/61/81/80/557618180.db2.gz RMZPCISZBUTNDE-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2sc1=O ZINC000225673763 557760954 /nfs/dbraw/zinc/76/09/54/557760954.db2.gz CUTJYMLCSVBVKH-UHFFFAOYSA-N -1 3 426.519 3.980 40 0 IHABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1Cl ZINC000225928815 557793731 /nfs/dbraw/zinc/79/37/31/557793731.db2.gz RUUINDMBMLYSAC-UHFFFAOYSA-N -1 3 447.315 3.732 40 0 IHABHM C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc([O-])c(I)c2)S1 ZINC000260786403 557855368 /nfs/dbraw/zinc/85/53/68/557855368.db2.gz WVZCHJKYRJONMQ-UHNFBRDESA-N -1 3 437.306 3.981 40 0 IHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000034889619 568622618 /nfs/dbraw/zinc/62/26/18/568622618.db2.gz QAWBLXDHHDSTAY-CYBMUJFWSA-N -1 3 441.347 3.543 40 0 IHABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000020209250 569217397 /nfs/dbraw/zinc/21/73/97/569217397.db2.gz TUWZBLWFUOBEBN-UHFFFAOYSA-N -1 3 426.416 3.685 40 0 IHABHM CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012241607 523065030 /nfs/dbraw/zinc/06/50/30/523065030.db2.gz RFMAFOGJKXTKNS-HXUWFJFHSA-N -1 3 448.523 3.816 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000022539492 524248962 /nfs/dbraw/zinc/24/89/62/524248962.db2.gz ILKXSSPOTIZXQB-JKSUJKDBSA-N -1 3 438.977 3.818 40 0 IHABHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2nc(N3CCCCCC3)[n-]c(=O)c2C1 ZINC000012183138 526293410 /nfs/dbraw/zinc/29/34/10/526293410.db2.gz OKLVHHVKERGQDA-UHFFFAOYSA-N -1 3 446.599 3.570 40 0 IHABHM COc1cccc(-c2cc(=O)[n-]c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000013611790 537061995 /nfs/dbraw/zinc/06/19/95/537061995.db2.gz TYDWHFWJNQTNSG-UHFFFAOYSA-N -1 3 430.430 3.791 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 ZINC000034705958 555507355 /nfs/dbraw/zinc/50/73/55/555507355.db2.gz NWAYSTPYYBMIJO-UHFFFAOYSA-N -1 3 440.521 3.581 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1 ZINC000408552538 555880273 /nfs/dbraw/zinc/88/02/73/555880273.db2.gz QOAJXTYYWFZUQK-UHFFFAOYSA-N -1 3 439.493 3.707 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NC1CCCC1 ZINC000408561943 555904801 /nfs/dbraw/zinc/90/48/01/555904801.db2.gz LWBFPTOHMACLAW-UHFFFAOYSA-N -1 3 426.897 3.718 40 0 IHABHM CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592287 555953639 /nfs/dbraw/zinc/95/36/39/555953639.db2.gz JULMLEFZFQLZRV-DYVFJYSZSA-N -1 3 429.369 3.798 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)NC(C)C ZINC000408605010 555975995 /nfs/dbraw/zinc/97/59/95/555975995.db2.gz MKBOOBLIXFZJQH-UHFFFAOYSA-N -1 3 429.311 3.836 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(Cl)c2)cc1 ZINC000408635881 556014383 /nfs/dbraw/zinc/01/43/83/556014383.db2.gz IWLNDHLLQVNLIK-UHFFFAOYSA-N -1 3 440.949 3.691 40 0 IHABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000408678649 556076376 /nfs/dbraw/zinc/07/63/76/556076376.db2.gz UJDUDHDVQVEKFU-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000035363429 556084951 /nfs/dbraw/zinc/08/49/51/556084951.db2.gz IMAHBJAZZPVYRV-UHFFFAOYSA-N -1 3 448.447 3.792 40 0 IHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 ZINC000408713397 556130155 /nfs/dbraw/zinc/13/01/55/556130155.db2.gz WRQXSFFSQUGCIV-UHFFFAOYSA-N -1 3 446.550 3.573 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)NC(C)C ZINC000010009041 556321148 /nfs/dbraw/zinc/32/11/48/556321148.db2.gz MJWYSHUNPQNNBA-UHFFFAOYSA-N -1 3 445.310 3.536 40 0 IHABHM COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000011239891 556340224 /nfs/dbraw/zinc/34/02/24/556340224.db2.gz RSDKERFULYCPFX-UHFFFAOYSA-N -1 3 428.485 3.907 40 0 IHABHM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1C ZINC000031979251 556528168 /nfs/dbraw/zinc/52/81/68/556528168.db2.gz ZEZQUKZACRDUOR-UHFFFAOYSA-N -1 3 442.468 3.974 40 0 IHABHM Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccccc3C(F)(F)F)n2)s1 ZINC000013634118 556540197 /nfs/dbraw/zinc/54/01/97/556540197.db2.gz YTSLMSFEXCHPLS-UHFFFAOYSA-N -1 3 441.464 3.700 40 0 IHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100536432 556542859 /nfs/dbraw/zinc/54/28/59/556542859.db2.gz ARZHICNHPZMVIN-VJBWXMMDSA-N -1 3 430.460 3.755 40 0 IHABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399268 556641802 /nfs/dbraw/zinc/64/18/02/556641802.db2.gz MHJURHMVZXVSBH-HNNXBMFYSA-N -1 3 437.887 3.794 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)cc1C ZINC000040399259 556641806 /nfs/dbraw/zinc/64/18/06/556641806.db2.gz DWBRZHDGQKMDGL-MRXNPFEDSA-N -1 3 437.887 3.848 40 0 IHABHM COC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)CCCC2 ZINC000044904882 556679606 /nfs/dbraw/zinc/67/96/06/556679606.db2.gz NMRUPDWGBPJYPR-UHFFFAOYSA-N -1 3 442.946 3.691 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085298 556699019 /nfs/dbraw/zinc/69/90/19/556699019.db2.gz BQASSZZHMSHYAG-UYAOXDASSA-N -1 3 440.588 3.607 40 0 IHABHM Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019136074 556706408 /nfs/dbraw/zinc/70/64/08/556706408.db2.gz WVNQWEIYCDEZQD-VGSWGCGISA-N -1 3 448.567 3.643 40 0 IHABHM CSCC[C@H](NC(=O)c1cc2c(cccc2C)[nH]1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019236681 556721186 /nfs/dbraw/zinc/72/11/86/556721186.db2.gz PPLRJUJRCHLQPG-SFHVURJKSA-N -1 3 433.537 3.846 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)[n-]c(=O)c2C1 ZINC000019238670 556723919 /nfs/dbraw/zinc/72/39/19/556723919.db2.gz XYQPQAOGDURNBX-HXUWFJFHSA-N -1 3 440.613 3.942 40 0 IHABHM O=C(CCc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019370786 556748079 /nfs/dbraw/zinc/74/80/79/556748079.db2.gz QUQCDIVNUVBTEX-QHCPKHFHSA-N -1 3 434.584 3.757 40 0 IHABHM O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019373454 556750485 /nfs/dbraw/zinc/75/04/85/556750485.db2.gz LYJSQPQAPAHHFP-JOCHJYFZSA-N -1 3 436.556 3.616 40 0 IHABHM CCn1cc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019524518 556781941 /nfs/dbraw/zinc/78/19/41/556781941.db2.gz YAEHSLNCLQQNTA-SFHVURJKSA-N -1 3 428.508 3.601 40 0 IHABHM COc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc(OC)c1OC ZINC000019549787 556795106 /nfs/dbraw/zinc/79/51/06/556795106.db2.gz VADRTYNBJVGEHA-IBGZPJMESA-N -1 3 436.512 3.997 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071980616 556889960 /nfs/dbraw/zinc/88/99/60/556889960.db2.gz GRRLZPPUIHXKRY-IBGZPJMESA-N -1 3 449.334 3.911 40 0 IHABHM O=c1[n-]c(-c2ccccn2)nc2c1CN(Cc1ccccc1OCc1ccccn1)CC2 ZINC000072339887 556911787 /nfs/dbraw/zinc/91/17/87/556911787.db2.gz ZBFWGFZJDNEKSK-UHFFFAOYSA-N -1 3 425.492 3.777 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(C)c3)n2)n1 ZINC000072376384 556954617 /nfs/dbraw/zinc/95/46/17/556954617.db2.gz LUDBXVMVMYENTP-FQEVSTJZSA-N -1 3 438.557 3.770 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000020000937 556957414 /nfs/dbraw/zinc/95/74/14/556957414.db2.gz BUSVRRCQDNDGOA-UHFFFAOYSA-N -1 3 434.352 3.809 40 0 IHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc(Cl)c1[O-] ZINC000409202590 557001712 /nfs/dbraw/zinc/00/17/12/557001712.db2.gz RTLIALZBYYOOJS-YUSFRKCESA-N -1 3 438.933 3.882 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccc(Cl)cc1 ZINC000409393810 557097892 /nfs/dbraw/zinc/09/78/92/557097892.db2.gz YGHAZSLBSHACJF-UHFFFAOYSA-N -1 3 448.903 3.975 40 0 IHABHM COC(=O)c1cnc([N-]c2cc(C)nc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 ZINC000585262489 557202193 /nfs/dbraw/zinc/20/21/93/557202193.db2.gz BFLWRFGUACITFM-UHFFFAOYSA-N -1 3 433.534 3.886 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4cccs4)[n-]n3c2=O)C1 ZINC000100234030 557252107 /nfs/dbraw/zinc/25/21/07/557252107.db2.gz DJUZJJNSPOIXKU-SFHVURJKSA-N -1 3 425.558 3.630 40 0 IHABHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000224546323 557620174 /nfs/dbraw/zinc/62/01/74/557620174.db2.gz BWISKXBDLIRKNO-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccccc1C ZINC000224643406 557635286 /nfs/dbraw/zinc/63/52/86/557635286.db2.gz CRDQACIPGULOOE-KRWDZBQOSA-N -1 3 430.555 3.837 40 0 IHABHM COc1ccc([C@@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225015816 557678034 /nfs/dbraw/zinc/67/80/34/557678034.db2.gz MCMCLWHMUWNWIE-OAHLLOKOSA-N -1 3 440.591 3.597 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000225738871 557770944 /nfs/dbraw/zinc/77/09/44/557770944.db2.gz BDGHQQQUFKCSQW-UHFFFAOYSA-N -1 3 426.519 3.921 40 0 IHABHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000225771748 557775288 /nfs/dbraw/zinc/77/52/88/557775288.db2.gz HQOPSJVRVIDPGL-AWEZNQCLSA-N -1 3 430.555 3.701 40 0 IHABHM CCOc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1OCC ZINC000095534565 569374607 /nfs/dbraw/zinc/37/46/07/569374607.db2.gz ODNQHWVWNFUKTP-QGZVFWFLSA-N -1 3 433.306 3.785 40 0 IHABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000223284751 193962513 /nfs/dbraw/zinc/96/25/13/193962513.db2.gz FSAVXTXNYWPRMQ-LEWJYISDSA-N -1 3 436.537 3.574 40 0 IHABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408605836 193974695 /nfs/dbraw/zinc/97/46/95/193974695.db2.gz NRHLCBXQHRQSSO-INIZCTEOSA-N -1 3 426.494 3.793 40 0 IHABHM COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1OC ZINC000012163552 525257606 /nfs/dbraw/zinc/25/76/06/525257606.db2.gz RBBAQEUZRCNHFM-ZWKOTPCHSA-N -1 3 437.471 3.670 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1N1CCCC1=O ZINC000022526493 525420199 /nfs/dbraw/zinc/42/01/99/525420199.db2.gz NBDVHVSYBONGSL-UHFFFAOYSA-N -1 3 427.295 3.824 40 0 IHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408550158 555861371 /nfs/dbraw/zinc/86/13/71/555861371.db2.gz AOXTVIKIKWIGJK-UHFFFAOYSA-N -1 3 440.949 3.835 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1Cl ZINC000408560692 555901409 /nfs/dbraw/zinc/90/14/09/555901409.db2.gz PIEMSOXGNFDJRJ-UHFFFAOYSA-N -1 3 438.933 3.541 40 0 IHABHM CCSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000003517116 555937591 /nfs/dbraw/zinc/93/75/91/555937591.db2.gz HNQBJARBKSGHEZ-UHFFFAOYSA-N -1 3 447.007 3.730 40 0 IHABHM CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592288 555953524 /nfs/dbraw/zinc/95/35/24/555953524.db2.gz JULMLEFZFQLZRV-GUYCJALGSA-N -1 3 429.369 3.798 40 0 IHABHM Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408600075 555958652 /nfs/dbraw/zinc/95/86/52/555958652.db2.gz SYISLSWFFFXAMD-QGZVFWFLSA-N -1 3 438.553 3.644 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 ZINC000408596253 555963250 /nfs/dbraw/zinc/96/32/50/555963250.db2.gz TZJKFTJFYZYKDH-UHFFFAOYSA-N -1 3 434.901 3.737 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 ZINC000408627023 555997797 /nfs/dbraw/zinc/99/77/97/555997797.db2.gz XKYRBSQVZNECGK-UHFFFAOYSA-N -1 3 440.949 3.787 40 0 IHABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408679209 556073854 /nfs/dbraw/zinc/07/38/54/556073854.db2.gz VJYKKHMRQDZZBD-UHFFFAOYSA-N -1 3 442.512 3.939 40 0 IHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000010008899 556321053 /nfs/dbraw/zinc/32/10/53/556321053.db2.gz WOZCNNGRCZCANW-UHFFFAOYSA-N -1 3 440.521 3.825 40 0 IHABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000100934150 556612084 /nfs/dbraw/zinc/61/20/84/556612084.db2.gz RIWJAXKQAMZFDW-ZRBLBEILSA-N -1 3 430.460 3.842 40 0 IHABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000040399347 556641745 /nfs/dbraw/zinc/64/17/45/556641745.db2.gz UBFZKUCGZLEFSU-MRXNPFEDSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c(C)c1 ZINC000040399263 556641760 /nfs/dbraw/zinc/64/17/60/556641760.db2.gz MLLIMIKBQXZBLG-OAHLLOKOSA-N -1 3 437.887 3.848 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000101033105 556652560 /nfs/dbraw/zinc/65/25/60/556652560.db2.gz CGDNNSCPXPIDBQ-ZRBLBEILSA-N -1 3 429.476 3.922 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1Cl ZINC000044885963 556675637 /nfs/dbraw/zinc/67/56/37/556675637.db2.gz RUFNUKGKDJROGR-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019238668 556723735 /nfs/dbraw/zinc/72/37/35/556723735.db2.gz JOZLCNPDHCOIMW-LJQANCHMSA-N -1 3 426.586 3.552 40 0 IHABHM COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1F ZINC000019285294 556727244 /nfs/dbraw/zinc/72/72/44/556727244.db2.gz ALOXGXOBNUUVLN-IBGZPJMESA-N -1 3 429.879 3.522 40 0 IHABHM O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349264 556744095 /nfs/dbraw/zinc/74/40/95/556744095.db2.gz DPVQHCVDUHIESM-JOCHJYFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C(COc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019373453 556750454 /nfs/dbraw/zinc/75/04/54/556750454.db2.gz LYJSQPQAPAHHFP-QFIPXVFZSA-N -1 3 436.556 3.616 40 0 IHABHM CC(C)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)nc2C1 ZINC000019448407 556757867 /nfs/dbraw/zinc/75/78/67/556757867.db2.gz HPXDFKPDHYCNLK-HXUWFJFHSA-N -1 3 437.519 3.557 40 0 IHABHM COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)[nH]c2c1 ZINC000019448361 556757962 /nfs/dbraw/zinc/75/79/62/556757962.db2.gz ZJXVNPKFWGGEFS-JOCHJYFZSA-N -1 3 449.555 3.806 40 0 IHABHM C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 ZINC000019459024 556766407 /nfs/dbraw/zinc/76/64/07/556766407.db2.gz DSVBFHRNFXXDHL-ICSRJNTNSA-N -1 3 434.584 3.580 40 0 IHABHM CCn1cc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019524519 556781911 /nfs/dbraw/zinc/78/19/11/556781911.db2.gz YAEHSLNCLQQNTA-GOSISDBHSA-N -1 3 428.508 3.601 40 0 IHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c(OC)c1OC ZINC000019552772 556796476 /nfs/dbraw/zinc/79/64/76/556796476.db2.gz LFEGLICVOBXTLC-IBGZPJMESA-N -1 3 436.512 3.997 40 0 IHABHM CSCC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573980 556814307 /nfs/dbraw/zinc/81/43/07/556814307.db2.gz OSBORVNANBENDF-FQEVSTJZSA-N -1 3 434.565 3.935 40 0 IHABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071980617 556890097 /nfs/dbraw/zinc/89/00/97/556890097.db2.gz GRRLZPPUIHXKRY-LJQANCHMSA-N -1 3 449.334 3.911 40 0 IHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000408920382 556890802 /nfs/dbraw/zinc/89/08/02/556890802.db2.gz FMLAKPZPPOJLRB-NRFANRHFSA-N -1 3 438.505 3.883 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1C ZINC000408927182 556892927 /nfs/dbraw/zinc/89/29/27/556892927.db2.gz TVRURPUWWUDJOE-JOCHJYFZSA-N -1 3 438.505 3.883 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000020020397 556964643 /nfs/dbraw/zinc/96/46/43/556964643.db2.gz NGGJPWVXWKIXTQ-UHFFFAOYSA-N -1 3 448.447 3.792 40 0 IHABHM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1Cl ZINC000216438964 557146211 /nfs/dbraw/zinc/14/62/11/557146211.db2.gz YLKRDNJKKLXKLM-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)CC1 ZINC000100221311 557248992 /nfs/dbraw/zinc/24/89/92/557248992.db2.gz WSGVWDDSZXACBF-BVYCBKJFSA-N -1 3 432.524 3.849 40 0 IHABHM CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4sccc4C)[n-]n3c(=O)c2C1 ZINC000100233984 557251869 /nfs/dbraw/zinc/25/18/69/557251869.db2.gz OQFWLPVLTIQOCD-LJQANCHMSA-N -1 3 439.585 3.827 40 0 IHABHM O=C(C1CCC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000100243249 557255749 /nfs/dbraw/zinc/25/57/49/557255749.db2.gz PHCWJCIRHWBPST-HSZRJFAPSA-N -1 3 445.567 3.847 40 0 IHABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000222716999 557378748 /nfs/dbraw/zinc/37/87/48/557378748.db2.gz RMZJOPSRFGJSPS-UHFFFAOYSA-N -1 3 432.448 3.807 40 0 IHABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000223284535 557455697 /nfs/dbraw/zinc/45/56/97/557455697.db2.gz MPMFQGWCYIWSGU-NHCUHLMSSA-N -1 3 436.537 3.574 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1cccc2ccccc21 ZINC000223576446 557487840 /nfs/dbraw/zinc/48/78/40/557487840.db2.gz SLRVHTWYGRVBKY-UHFFFAOYSA-N -1 3 436.327 3.968 40 0 IHABHM COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223963440 557535416 /nfs/dbraw/zinc/53/54/16/557535416.db2.gz SVOPHSQCGGFESD-UHFFFAOYSA-N -1 3 442.512 3.998 40 0 IHABHM Cc1ccc(C)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000224293878 557586618 /nfs/dbraw/zinc/58/66/18/557586618.db2.gz DDCQRNXLONZHOA-HNNXBMFYSA-N -1 3 430.555 3.755 40 0 IHABHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000225284594 557708871 /nfs/dbraw/zinc/70/88/71/557708871.db2.gz AKSYSWLBCRBDEO-AWEZNQCLSA-N -1 3 430.555 3.701 40 0 IHABHM CCOc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cc1 ZINC000225923486 557793003 /nfs/dbraw/zinc/79/30/03/557793003.db2.gz SYZHGHRVUHIKME-UHFFFAOYSA-N -1 3 428.913 3.715 40 0 IHABHM COc1ccccc1-c1ccccc1CN1CCC[C@H](Cc2[n-]ncc2S(C)(=O)=O)C1 ZINC000257213184 568671413 /nfs/dbraw/zinc/67/14/13/568671413.db2.gz CGMHEOCGOJKPOU-GOSISDBHSA-N -1 3 439.581 3.944 40 0 IHABHM COc1ccccc1-c1ccccc1CN1CCC[C@H](Cc2n[n-]cc2S(C)(=O)=O)C1 ZINC000257213184 568671415 /nfs/dbraw/zinc/67/14/15/568671415.db2.gz CGMHEOCGOJKPOU-GOSISDBHSA-N -1 3 439.581 3.944 40 0 IHABHM C[C@@]1(C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257240709 568683912 /nfs/dbraw/zinc/68/39/12/568683912.db2.gz HUTUCCMCAGSDMH-DEOSSOPVSA-N -1 3 442.487 3.917 40 0 IHABHM Cc1csc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)n1 ZINC000257266266 568695933 /nfs/dbraw/zinc/69/59/33/568695933.db2.gz MCFNRAQFLIDACS-UHFFFAOYSA-N -1 3 433.534 3.693 40 0 IHABHM COc1cccc(OC)c1C(=O)N1CCC(c2cncc([N-]c3nc(C)cc(C)n3)n2)CC1 ZINC000257279914 568702087 /nfs/dbraw/zinc/70/20/87/568702087.db2.gz OIRMNORXURUIAU-UHFFFAOYSA-N -1 3 448.527 3.664 40 0 IHABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1OC ZINC000226244042 569178019 /nfs/dbraw/zinc/17/80/19/569178019.db2.gz ZFCJWHQTSUSRQP-UHFFFAOYSA-N -1 3 425.304 3.607 40 0 IHABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000107754773 569251256 /nfs/dbraw/zinc/25/12/56/569251256.db2.gz ONHCLDJMSHRKHZ-UHFFFAOYSA-N -1 3 430.448 3.753 40 0 IHABHM Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3nccnc3[N-]c3nc(C)c(C)s3)C2)cs1 ZINC000585291966 569584863 /nfs/dbraw/zinc/58/48/63/569584863.db2.gz WHXVMPWUQLFQFW-FYCOFBDGSA-N -1 3 440.598 4.478 40 0 IHABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000012485392 523910701 /nfs/dbraw/zinc/91/07/01/523910701.db2.gz OLHFMMWJUSFOQF-UHFFFAOYSA-N -1 3 426.494 3.686 40 0 IHABHM COc1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000035316127 524599691 /nfs/dbraw/zinc/59/96/91/524599691.db2.gz AZRWMUVRSJWYDE-UHFFFAOYSA-N -1 3 436.465 3.808 40 0 IHABHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000022720938 524696745 /nfs/dbraw/zinc/69/67/45/524696745.db2.gz YSHQRSCOUGQUAJ-UHFFFAOYSA-N -1 3 425.901 3.753 40 0 IHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000020484998 525219715 /nfs/dbraw/zinc/21/97/15/525219715.db2.gz RZYSLJHJHXZCPO-UHFFFAOYSA-N -1 3 435.933 3.590 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1c(F)cccc1F ZINC000408533112 555745930 /nfs/dbraw/zinc/74/59/30/555745930.db2.gz PTLNBVKLHQHOMS-UHFFFAOYSA-N -1 3 436.411 3.922 40 0 IHABHM CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592289 555953560 /nfs/dbraw/zinc/95/35/60/555953560.db2.gz JULMLEFZFQLZRV-SUMWQHHRSA-N -1 3 429.369 3.798 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408613171 555978447 /nfs/dbraw/zinc/97/84/47/555978447.db2.gz ZNJQHBBGBLYQFT-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)[N-]c3ccccc3F)cc1)C2=O ZINC000408722176 556148828 /nfs/dbraw/zinc/14/88/28/556148828.db2.gz QIXSFHHLFOTGLP-KSFYIVLOSA-N -1 3 430.501 3.942 40 0 IHABHM O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014048610 556358519 /nfs/dbraw/zinc/35/85/19/556358519.db2.gz RKUFJIDKLXAZAO-UHFFFAOYSA-N -1 3 428.441 3.650 40 0 IHABHM COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000015420372 556526819 /nfs/dbraw/zinc/52/68/19/556526819.db2.gz OCEQUCMWGHBLIM-UHFFFAOYSA-N -1 3 428.441 3.665 40 0 IHABHM CC(=O)Oc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100662899 556564657 /nfs/dbraw/zinc/56/46/57/556564657.db2.gz UVAZWQPBCIEZCG-VJBWXMMDSA-N -1 3 446.434 3.802 40 0 IHABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000016293498 556598590 /nfs/dbraw/zinc/59/85/90/556598590.db2.gz FYBSCJLREHXTKL-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c(C)c1 ZINC000040399349 556642020 /nfs/dbraw/zinc/64/20/20/556642020.db2.gz PFKPMRYEMDKZMW-OAHLLOKOSA-N -1 3 437.887 3.848 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1Cl ZINC000044844036 556669142 /nfs/dbraw/zinc/66/91/42/556669142.db2.gz LOWUXCRZSSUCBN-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085254 556698996 /nfs/dbraw/zinc/69/89/96/556698996.db2.gz ZCBDAZIQPZBEIM-PMACEKPBSA-N -1 3 440.588 3.607 40 0 IHABHM Cc1cc(CN2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc(C(=O)[O-])c1O ZINC000257208189 556702076 /nfs/dbraw/zinc/70/20/76/556702076.db2.gz BLCALMVPXLABSQ-GBXCKJPGSA-N -1 3 426.488 3.566 40 0 IHABHM Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019136070 556706433 /nfs/dbraw/zinc/70/64/33/556706433.db2.gz WVNQWEIYCDEZQD-HTAPYJJXSA-N -1 3 448.567 3.643 40 0 IHABHM Cc1ccc(O[C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019210929 556709155 /nfs/dbraw/zinc/70/91/55/556709155.db2.gz JOUAXNRKTQRHRP-OPAMFIHVSA-N -1 3 430.508 3.736 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)[n-]c(=O)c2C1 ZINC000019238677 556723570 /nfs/dbraw/zinc/72/35/70/556723570.db2.gz DSKMGXOLGQEFCO-FQEVSTJZSA-N -1 3 440.613 3.942 40 0 IHABHM Cc1nc(C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285299 556727232 /nfs/dbraw/zinc/72/72/32/556727232.db2.gz LPCIFODMNWGPOA-OAQYLSRUSA-N -1 3 437.927 3.699 40 0 IHABHM Cn1c(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)nc2ccccc21 ZINC000019289908 556729586 /nfs/dbraw/zinc/72/95/86/556729586.db2.gz UYJWLWSUWSWMGC-INIZCTEOSA-N -1 3 447.564 3.724 40 0 IHABHM O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(CC1CC1)CC3 ZINC000019293551 556733068 /nfs/dbraw/zinc/73/30/68/556733068.db2.gz JBGRRAQRNDDICG-JOCHJYFZSA-N -1 3 449.530 3.710 40 0 IHABHM O=C(CC1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343633 556741288 /nfs/dbraw/zinc/74/12/88/556741288.db2.gz QRWYQWJEVAFDPW-GOSISDBHSA-N -1 3 440.613 3.676 40 0 IHABHM O=C(CCCc1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019405098 556754854 /nfs/dbraw/zinc/75/48/54/556754854.db2.gz UUOYGAFCMSGYQL-HSZRJFAPSA-N -1 3 449.599 3.542 40 0 IHABHM CCn1cc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(F)cc2)c2ccccc21 ZINC000019524792 556782358 /nfs/dbraw/zinc/78/23/58/556782358.db2.gz RICSMNRIQHIBPS-JOCHJYFZSA-N -1 3 432.499 3.835 40 0 IHABHM C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c1C ZINC000019554339 556797784 /nfs/dbraw/zinc/79/77/84/556797784.db2.gz ZHWYYOBTIQJROH-SFHVURJKSA-N -1 3 426.492 3.681 40 0 IHABHM Cc1ncccc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019582889 556820421 /nfs/dbraw/zinc/82/04/21/556820421.db2.gz LHXSUUVCWZALTJ-JOCHJYFZSA-N -1 3 447.514 3.560 40 0 IHABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000408921948 556891313 /nfs/dbraw/zinc/89/13/13/556891313.db2.gz MGYRPNAQWXWROH-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000019937678 556951423 /nfs/dbraw/zinc/95/14/23/556951423.db2.gz ANYZVMHMRVIBTQ-UHFFFAOYSA-N -1 3 443.334 3.635 40 0 IHABHM COc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1OC ZINC000019937731 556951717 /nfs/dbraw/zinc/95/17/17/556951717.db2.gz VYBDFPMTOHZPQK-ZDUSSCGKSA-N -1 3 427.888 3.527 40 0 IHABHM CCCCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009871 556959909 /nfs/dbraw/zinc/95/99/09/556959909.db2.gz GDYPENSDTNDVDJ-GOSISDBHSA-N -1 3 438.977 3.545 40 0 IHABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)CCc5ccccc5)CC4)[n-]n3c(=O)c2C1 ZINC000072389799 556959926 /nfs/dbraw/zinc/95/99/26/556959926.db2.gz OSFYTPPUEBCTOG-UHFFFAOYSA-N -1 3 447.583 3.540 40 0 IHABHM O=C(CCC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000072399080 556971449 /nfs/dbraw/zinc/97/14/49/556971449.db2.gz FFHIDRVGQJAIIZ-QHCPKHFHSA-N -1 3 449.599 3.747 40 0 IHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101406781 557124207 /nfs/dbraw/zinc/12/42/07/557124207.db2.gz YBRGBAURKIDORR-PKOBYXMFSA-N -1 3 430.291 3.933 40 0 IHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102729643 557131764 /nfs/dbraw/zinc/13/17/64/557131764.db2.gz MURCILWVRZTRIQ-XPWALMASSA-N -1 3 448.450 3.894 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4cccc(F)c4)[n-]n3c2=O)C1 ZINC000100234053 557252103 /nfs/dbraw/zinc/25/21/03/557252103.db2.gz VPCVHVHXQFCGIY-OAQYLSRUSA-N -1 3 437.519 3.708 40 0 IHABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102740773 557306816 /nfs/dbraw/zinc/30/68/16/557306816.db2.gz VARXRXVMXBPTGE-HKBOAZHASA-N -1 3 432.407 3.575 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1C ZINC000223246667 557450807 /nfs/dbraw/zinc/45/08/07/557450807.db2.gz GDJLWVIQXDKJCO-KRWDZBQOSA-N -1 3 430.555 3.837 40 0 IHABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223644629 557496006 /nfs/dbraw/zinc/49/60/06/557496006.db2.gz FTTDQWUZGPEKKU-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM O=S(=O)(Cc1ccc(Br)cc1)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223652829 557497554 /nfs/dbraw/zinc/49/75/54/557497554.db2.gz DDUSSBLBWYCEJJ-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(OC)c3)ccc2C)cc1 ZINC000224102631 557561344 /nfs/dbraw/zinc/56/13/44/557561344.db2.gz JTTDUGIBOBDPCR-UHFFFAOYSA-N -1 3 440.521 3.743 40 0 IHABHM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000224545607 557620047 /nfs/dbraw/zinc/62/00/47/557620047.db2.gz PJXRCKMMJTUFRE-UHFFFAOYSA-N -1 3 446.550 3.828 40 0 IHABHM O=C(Nc1nnc(S(=O)(=O)[N-]c2c(F)cccc2F)s1)c1ccc(Cl)cc1 ZINC000225132278 557690962 /nfs/dbraw/zinc/69/09/62/557690962.db2.gz BRHFHHYYFDEAKS-UHFFFAOYSA-N -1 3 430.845 3.523 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccccc1C ZINC000225221410 557701715 /nfs/dbraw/zinc/70/17/15/557701715.db2.gz GDJIDGSLFODHPJ-UHFFFAOYSA-N -1 3 430.389 3.978 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)c(C)c1 ZINC000225361632 557714238 /nfs/dbraw/zinc/71/42/38/557714238.db2.gz FEARQVFLKLVEJJ-KRWDZBQOSA-N -1 3 430.555 3.837 40 0 IHABHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000225771732 557775273 /nfs/dbraw/zinc/77/52/73/557775273.db2.gz HQOPSJVRVIDPGL-CQSZACIVSA-N -1 3 430.555 3.701 40 0 IHABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)c2ccccc12 ZINC000225922604 557792753 /nfs/dbraw/zinc/79/27/53/557792753.db2.gz FYZQZEPOIWCCFO-UHFFFAOYSA-N -1 3 430.501 3.824 40 0 IHABHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002456896 562927854 /nfs/dbraw/zinc/92/78/54/562927854.db2.gz PVKTUPSPVOCINT-ZDUSSCGKSA-N -1 3 432.527 3.614 40 0 IHABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@H]21 ZINC000257248750 568687862 /nfs/dbraw/zinc/68/78/62/568687862.db2.gz JFAGALMBWQEYSW-XZYOPWHXSA-N -1 3 439.508 3.747 40 0 IHABHM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(OCCN3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC000257249819 568688478 /nfs/dbraw/zinc/68/84/78/568688478.db2.gz JJWZTRBLAXNYLJ-FGZHOGPDSA-N -1 3 426.488 3.588 40 0 IHABHM CCOc1cc(-c2cc(-c3ccc(O)c(OC)c3)n(CCO)n2)cc(Br)c1[O-] ZINC000257327308 568723162 /nfs/dbraw/zinc/72/31/62/568723162.db2.gz XAXBXQSPPQYMJV-UHFFFAOYSA-N -1 3 449.301 3.790 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000033713440 569245948 /nfs/dbraw/zinc/24/59/48/569245948.db2.gz GXWVXAXMKZNTCL-KRWDZBQOSA-N -1 3 440.521 3.752 40 0 IHABHM Cc1nc(/C=C/C(=O)N2CCC[C@H](c3nccnc3[N-]c3nc(C)c(C)s3)C2)cs1 ZINC000585291969 569584849 /nfs/dbraw/zinc/58/48/49/569584849.db2.gz WHXVMPWUQLFQFW-MOEXGYKKSA-N -1 3 440.598 4.478 40 0 IHABHM Cc1cccc(C)c1NC(=O)CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21 ZINC000022720391 524282433 /nfs/dbraw/zinc/28/24/33/524282433.db2.gz VOPTVROHGMQMOQ-UHFFFAOYSA-N -1 3 440.916 3.893 40 0 IHABHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408545526 555796830 /nfs/dbraw/zinc/79/68/30/555796830.db2.gz UDQLLWLYTMWDNN-MFKMUULPSA-N -1 3 425.352 3.727 40 0 IHABHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408545526 555796832 /nfs/dbraw/zinc/79/68/32/555796832.db2.gz UDQLLWLYTMWDNN-MFKMUULPSA-N -1 3 425.352 3.727 40 0 IHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562721 555906087 /nfs/dbraw/zinc/90/60/87/555906087.db2.gz RSQGKYWKDXTJAI-CYBMUJFWSA-N -1 3 428.913 3.964 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)c(C)c2)cc1C ZINC000408674846 556066155 /nfs/dbraw/zinc/06/61/55/556066155.db2.gz JUXYHJXZFXGRNL-UHFFFAOYSA-N -1 3 439.537 3.503 40 0 IHABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000008735664 556204868 /nfs/dbraw/zinc/20/48/68/556204868.db2.gz APARKEVXSWZVIP-FKBYEOEOSA-N -1 3 446.434 3.663 40 0 IHABHM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC000030862533 556511367 /nfs/dbraw/zinc/51/13/67/556511367.db2.gz MWMRHADMQOQVMD-UHFFFAOYSA-N -1 3 442.368 3.636 40 0 IHABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000015243625 556513231 /nfs/dbraw/zinc/51/32/31/556513231.db2.gz IAJKLGDOTKMPOT-UHFFFAOYSA-N -1 3 427.295 3.688 40 0 IHABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000040399266 556641797 /nfs/dbraw/zinc/64/17/97/556641797.db2.gz NSHBVYZBKWJRDV-INIZCTEOSA-N -1 3 437.887 3.794 40 0 IHABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000040399354 556642124 /nfs/dbraw/zinc/64/21/24/556642124.db2.gz RNDFLMBHFBXZEK-INIZCTEOSA-N -1 3 437.887 3.794 40 0 IHABHM Cc1cc(C)n2ncc(C(=O)N[C@H](Cc3cc(=O)[n-]c(C(C)C)n3)c3ccccc3)c2n1 ZINC000019116559 556700008 /nfs/dbraw/zinc/70/00/08/556700008.db2.gz KAMAETYXUILNIW-HXUWFJFHSA-N -1 3 430.512 3.679 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)[n-]c(=O)c2C1 ZINC000019238669 556723591 /nfs/dbraw/zinc/72/35/91/556723591.db2.gz XYQPQAOGDURNBX-FQEVSTJZSA-N -1 3 440.613 3.942 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3)[n-]c(=O)c2C1 ZINC000019238682 556723765 /nfs/dbraw/zinc/72/37/65/556723765.db2.gz IUXUWAAEYVJJAH-OAQYLSRUSA-N -1 3 448.592 3.604 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000013751693 556726079 /nfs/dbraw/zinc/72/60/79/556726079.db2.gz CGDNNSCPXPIDBQ-VJBWXMMDSA-N -1 3 429.476 3.922 40 0 IHABHM O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019370240 556747745 /nfs/dbraw/zinc/74/77/45/556747745.db2.gz MKFONCWCVJHGJC-QFIPXVFZSA-N -1 3 448.592 3.686 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000095545571 556756636 /nfs/dbraw/zinc/75/66/36/556756636.db2.gz RMZWPBIXXJEQBB-HBMCJLEFSA-N -1 3 432.432 3.507 40 0 IHABHM CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)CCc4ccccc4)[n-]n3c(=O)c2C1 ZINC000019448051 556757202 /nfs/dbraw/zinc/75/72/02/556757202.db2.gz QEMWLMDZZUFTEO-HSZRJFAPSA-N -1 3 447.583 3.888 40 0 IHABHM CC(C)Oc1cc(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)on1 ZINC000019450517 556761613 /nfs/dbraw/zinc/76/16/13/556761613.db2.gz KSJGWZQAQNZJHQ-OAHLLOKOSA-N -1 3 442.541 3.612 40 0 IHABHM CC(C)c1ncc(CN[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cn1 ZINC000019454136 556764553 /nfs/dbraw/zinc/76/45/53/556764553.db2.gz ZGQRDBDFJLWDSY-JOCHJYFZSA-N -1 3 426.524 3.819 40 0 IHABHM CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)[n-]c2=O)C1 ZINC000019497953 556770363 /nfs/dbraw/zinc/77/03/63/556770363.db2.gz CLVONTLHCYZYFV-KKSFZXQISA-N -1 3 436.556 3.640 40 0 IHABHM CCn1cc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019524515 556781787 /nfs/dbraw/zinc/78/17/87/556781787.db2.gz WQKAXSVWEVNRHS-HXUWFJFHSA-N -1 3 428.508 3.601 40 0 IHABHM CCn1cc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019524513 556781870 /nfs/dbraw/zinc/78/18/70/556781870.db2.gz PHCDGRBZHQSPBF-HXUWFJFHSA-N -1 3 428.508 3.601 40 0 IHABHM CSCC[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573970 556813982 /nfs/dbraw/zinc/81/39/82/556813982.db2.gz ZBBODJJYNJQFPS-MRXNPFEDSA-N -1 3 440.594 3.996 40 0 IHABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000019594661 556830417 /nfs/dbraw/zinc/83/04/17/556830417.db2.gz BHGDFDAARSVQKV-QGZVFWFLSA-N -1 3 444.413 3.837 40 0 IHABHM O=c1cc([C@@H]2CCCN(Cc3ccc(Sc4ncccn4)o3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392977 556964478 /nfs/dbraw/zinc/96/44/78/556964478.db2.gz FGYYZTMRYHHOEN-QGZVFWFLSA-N -1 3 446.536 3.746 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1 ZINC000020020394 556964612 /nfs/dbraw/zinc/96/46/12/556964612.db2.gz IZGSXASCIFGPSD-UHFFFAOYSA-N -1 3 448.447 3.792 40 0 IHABHM CCc1ccccc1N1C(=O)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-] ZINC000409299967 557055338 /nfs/dbraw/zinc/05/53/38/557055338.db2.gz WKDXIXKNGFMCFS-SZPZYZBQSA-N -1 3 443.455 3.573 40 0 IHABHM CCc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-] ZINC000409299967 557055344 /nfs/dbraw/zinc/05/53/44/557055344.db2.gz WKDXIXKNGFMCFS-SZPZYZBQSA-N -1 3 443.455 3.573 40 0 IHABHM Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000010314351 557215829 /nfs/dbraw/zinc/21/58/29/557215829.db2.gz JWGFBUHHNIUMHH-UHFFFAOYSA-N -1 3 437.521 3.549 40 0 IHABHM CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4sccc4C)[n-]n3c(=O)c2C1 ZINC000100233982 557252044 /nfs/dbraw/zinc/25/20/44/557252044.db2.gz OQFWLPVLTIQOCD-IBGZPJMESA-N -1 3 439.585 3.827 40 0 IHABHM CCCCC(=O)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000013083111 557276564 /nfs/dbraw/zinc/27/65/64/557276564.db2.gz CGSMYWKCESJPSX-UHFFFAOYSA-N -1 3 428.924 3.525 40 0 IHABHM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101221426 557279631 /nfs/dbraw/zinc/27/96/31/557279631.db2.gz IYRVNKAGCDPRBN-VJBWXMMDSA-N -1 3 445.450 3.835 40 0 IHABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000223306988 557457463 /nfs/dbraw/zinc/45/74/63/557457463.db2.gz VDTREJVFFGQNBC-LBPRGKRZSA-N -1 3 436.946 3.792 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000223794787 557514598 /nfs/dbraw/zinc/51/45/98/557514598.db2.gz ILFLHZIHAUCFJY-UHFFFAOYSA-N -1 3 434.568 3.844 40 0 IHABHM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(C)cc3)cc2)cc1 ZINC000224548248 557620687 /nfs/dbraw/zinc/62/06/87/557620687.db2.gz MBZLZXGZUNICTE-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224913737 557666368 /nfs/dbraw/zinc/66/63/68/557666368.db2.gz GHKOJZJZCQEZMW-UHFFFAOYSA-N -1 3 443.569 3.722 40 0 IHABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225928455 557793741 /nfs/dbraw/zinc/79/37/41/557793741.db2.gz QPPNTPIHXUAPRV-UHFFFAOYSA-N -1 3 440.924 3.857 40 0 IHABHM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257228295 568678223 /nfs/dbraw/zinc/67/82/23/568678223.db2.gz FTIDTRALAXGUPA-LJQANCHMSA-N -1 3 436.491 3.713 40 0 IHABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@H]21 ZINC000257244769 568685785 /nfs/dbraw/zinc/68/57/85/568685785.db2.gz IMROCMINRZZZOO-JHBZICRXSA-N -1 3 439.508 3.747 40 0 IHABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3Cl)ccc21 ZINC000015245334 569225405 /nfs/dbraw/zinc/22/54/05/569225405.db2.gz RYHUFLXZRFNMSY-UHFFFAOYSA-N -1 3 429.723 3.812 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000015439193 569225554 /nfs/dbraw/zinc/22/55/54/569225554.db2.gz KGIMYYLCBLEHHN-UHFFFAOYSA-N -1 3 442.493 3.766 40 0 IHABHM COc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1 ZINC000038171032 569248742 /nfs/dbraw/zinc/24/87/42/569248742.db2.gz CSICKHZPCVTDBS-UHFFFAOYSA-N -1 3 449.330 3.690 40 0 IHABHM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018066485 569284664 /nfs/dbraw/zinc/28/46/64/569284664.db2.gz IZFKBBWLZQVYJB-VJBWXMMDSA-N -1 3 445.450 3.835 40 0 IHABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000009232404 569294706 /nfs/dbraw/zinc/29/47/06/569294706.db2.gz QWLMNNQHHRXDKQ-QHAWAJNXSA-N -1 3 432.407 3.575 40 0 IHABHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc([O-])ccc1Br ZINC000261362463 569315547 /nfs/dbraw/zinc/31/55/47/569315547.db2.gz DDMNMHNFFWSAAV-INIZCTEOSA-O -1 3 432.323 3.689 40 0 IHABHM COCCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474687 522069595 /nfs/dbraw/zinc/06/95/95/522069595.db2.gz PJWLKBADYYPDAG-INIZCTEOSA-N -1 3 440.569 3.943 40 0 IHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl ZINC000022509904 525218382 /nfs/dbraw/zinc/21/83/82/525218382.db2.gz RAVQVBLCDXRJGE-UHFFFAOYSA-N -1 3 435.933 3.590 40 0 IHABHM O=C(CCCOc1ccccc1F)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256515 526450142 /nfs/dbraw/zinc/45/01/42/526450142.db2.gz CXHRSSRVRMCVEO-UHFFFAOYSA-N -1 3 436.487 3.949 40 0 IHABHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000012200190 526965350 /nfs/dbraw/zinc/96/53/50/526965350.db2.gz ZPNPRCOHNFXSQJ-UHFFFAOYSA-N -1 3 436.489 3.720 40 0 IHABHM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc([O-])ccc1Br ZINC000001119966 555636969 /nfs/dbraw/zinc/63/69/69/555636969.db2.gz XRYTWBLZFYXCIC-KRWDZBQOSA-N -1 3 433.327 3.648 40 0 IHABHM C[C@H](NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C)c1ccccc1 ZINC000408540974 555801114 /nfs/dbraw/zinc/80/11/14/555801114.db2.gz AHSJMIQDZMHNLB-LBPRGKRZSA-N -1 3 447.358 3.920 40 0 IHABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408594792 555961114 /nfs/dbraw/zinc/96/11/14/555961114.db2.gz PHPKSPKJWMQXEI-SFHVURJKSA-N -1 3 446.569 3.545 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408609249 555979528 /nfs/dbraw/zinc/97/95/28/555979528.db2.gz MPCODEWBKMTVME-MRXNPFEDSA-N -1 3 432.542 3.712 40 0 IHABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408679332 556073805 /nfs/dbraw/zinc/07/38/05/556073805.db2.gz VYDDGUJDIYLABP-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 ZINC000408720955 556148038 /nfs/dbraw/zinc/14/80/38/556148038.db2.gz BXNHTBSSQYRAHS-XXBNENTESA-N -1 3 442.537 3.812 40 0 IHABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000016691751 556627303 /nfs/dbraw/zinc/62/73/03/556627303.db2.gz OYMKVQUXVKPQIE-UHFFFAOYSA-N -1 3 426.494 3.904 40 0 IHABHM CC(C)(C)c1ccc(OCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019084491 556698396 /nfs/dbraw/zinc/69/83/96/556698396.db2.gz XSSPROAPTMYIHX-SFHVURJKSA-N -1 3 432.524 3.937 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085257 556699057 /nfs/dbraw/zinc/69/90/57/556699057.db2.gz ZCBDAZIQPZBEIM-WOJBJXKFSA-N -1 3 440.588 3.607 40 0 IHABHM Cc1csc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2ccncc2)C3)c1 ZINC000019124588 556702508 /nfs/dbraw/zinc/70/25/08/556702508.db2.gz LXZPRTUBOVYMJZ-HXUWFJFHSA-N -1 3 449.580 3.873 40 0 IHABHM Cc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)n2C)c1 ZINC000019221208 556715471 /nfs/dbraw/zinc/71/54/71/556715471.db2.gz BBVDPKRNXYXNIK-OAQYLSRUSA-N -1 3 433.556 3.726 40 0 IHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2cccc(F)c2)cc(=O)[n-]1 ZINC000019240949 556726931 /nfs/dbraw/zinc/72/69/31/556726931.db2.gz IWWPGLIWRRKWKN-SZNDQCEHSA-N -1 3 434.471 3.566 40 0 IHABHM O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349307 556744535 /nfs/dbraw/zinc/74/45/35/556744535.db2.gz APOISSZREWPGDU-IBGZPJMESA-N -1 3 438.528 3.506 40 0 IHABHM O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019368848 556746883 /nfs/dbraw/zinc/74/68/83/556746883.db2.gz GARDFIQZMWPFMG-OAQYLSRUSA-N -1 3 434.565 3.757 40 0 IHABHM O=C(CCC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405370 556755238 /nfs/dbraw/zinc/75/52/38/556755238.db2.gz UQHHVPUNDQGISI-QHCPKHFHSA-N -1 3 449.599 3.747 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000095545570 556756803 /nfs/dbraw/zinc/75/68/03/556756803.db2.gz RMZWPBIXXJEQBB-ACRUOGEOSA-N -1 3 432.432 3.507 40 0 IHABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)CC5CCCCC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448135 556757127 /nfs/dbraw/zinc/75/71/27/556757127.db2.gz RYZYPVZGRFFUSV-UHFFFAOYSA-N -1 3 439.604 3.878 40 0 IHABHM CC(C)c1nc(C[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453534 556763991 /nfs/dbraw/zinc/76/39/91/556763991.db2.gz YCLCXJWVXWFDBP-LJQANCHMSA-N -1 3 437.519 3.834 40 0 IHABHM CCc1ccc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cccs2)C3)cc1 ZINC000019522878 556780121 /nfs/dbraw/zinc/78/01/21/556780121.db2.gz VMIFURZGTMJHNC-OAQYLSRUSA-N -1 3 448.592 3.929 40 0 IHABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C[C@H]4C=CCC4)[n-]c(=O)c3C2)cc1 ZINC000019555520 556798201 /nfs/dbraw/zinc/79/82/01/556798201.db2.gz UBWKYTZCKVZNMI-MBSDFSHPSA-N -1 3 448.567 3.769 40 0 IHABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C[C@H]4C=CCC4)[n-]c(=O)c3C2)cc1 ZINC000019555523 556798364 /nfs/dbraw/zinc/79/83/64/556798364.db2.gz UBWKYTZCKVZNMI-FDDCHVKYSA-N -1 3 448.567 3.769 40 0 IHABHM CN(C)c1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)cc1 ZINC000019584813 556822076 /nfs/dbraw/zinc/82/20/76/556822076.db2.gz QIVANJYQOUVFGN-HSZRJFAPSA-N -1 3 439.519 3.612 40 0 IHABHM CN(C)c1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)c1 ZINC000019585049 556822088 /nfs/dbraw/zinc/82/20/88/556822088.db2.gz KZJCSONGBVUGLE-HSZRJFAPSA-N -1 3 449.599 3.916 40 0 IHABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1C(=O)OC ZINC000006544829 556838497 /nfs/dbraw/zinc/83/84/97/556838497.db2.gz IKUXFUKOTZZBIE-UHFFFAOYSA-N -1 3 438.889 3.559 40 0 IHABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980651 556889982 /nfs/dbraw/zinc/88/99/82/556889982.db2.gz MPSDCJOHIZIUPJ-LJQANCHMSA-N -1 3 448.441 3.623 40 0 IHABHM CCN(CC)Cc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)ccc1OC ZINC000072339891 556911616 /nfs/dbraw/zinc/91/16/16/556911616.db2.gz JKIJKEKNJYWFHL-UHFFFAOYSA-N -1 3 433.556 3.653 40 0 IHABHM Cc1nnc([N-]c2cccc(C3CCN(CC(=O)N(C)C4CCCCC4)CC3)n2)s1 ZINC000072376137 556954213 /nfs/dbraw/zinc/95/42/13/556954213.db2.gz RVDDBSNYTWBPHK-UHFFFAOYSA-N -1 3 428.606 3.956 40 0 IHABHM CCCCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009874 556959960 /nfs/dbraw/zinc/95/99/60/556959960.db2.gz GDYPENSDTNDVDJ-SFHVURJKSA-N -1 3 438.977 3.545 40 0 IHABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020019903 556964073 /nfs/dbraw/zinc/96/40/73/556964073.db2.gz JIMUHPDITSLUFZ-QGZVFWFLSA-N -1 3 440.521 3.752 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000409172387 556983976 /nfs/dbraw/zinc/98/39/76/556983976.db2.gz GOMYWBTVPJPWGR-UHFFFAOYSA-N -1 3 427.231 3.929 40 0 IHABHM O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O)N1CCc2ccccc2C1 ZINC000409383409 557091841 /nfs/dbraw/zinc/09/18/41/557091841.db2.gz URQILRZTDSDLAS-ZDLGFXPLSA-N -1 3 428.897 3.667 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000006577007 557122049 /nfs/dbraw/zinc/12/20/49/557122049.db2.gz RMZWPBIXXJEQBB-HKBOAZHASA-N -1 3 432.432 3.507 40 0 IHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101406777 557124180 /nfs/dbraw/zinc/12/41/80/557124180.db2.gz YBRGBAURKIDORR-MJGOQNOKSA-N -1 3 430.291 3.933 40 0 IHABHM COC(=O)c1ccccc1NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000021112901 557136496 /nfs/dbraw/zinc/13/64/96/557136496.db2.gz KNCCVXCRKWJNEH-UHFFFAOYSA-N -1 3 432.889 3.555 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)CC1 ZINC000100237362 557253949 /nfs/dbraw/zinc/25/39/49/557253949.db2.gz ZQGJHGDYSLBEHP-ZWCUEREDSA-N -1 3 442.604 3.742 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000101129960 557350619 /nfs/dbraw/zinc/35/06/19/557350619.db2.gz DMTOWFDANFMRDL-VJBWXMMDSA-N -1 3 442.471 3.914 40 0 IHABHM C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc([O-])c(I)c2)S1 ZINC000222583133 557356074 /nfs/dbraw/zinc/35/60/74/557356074.db2.gz WVZCHJKYRJONMQ-GTTSAUCSSA-N -1 3 437.306 3.981 40 0 IHABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000222692189 557374813 /nfs/dbraw/zinc/37/48/13/557374813.db2.gz YBWHDQMLZZPUPX-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM CC(C)C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000222807636 557389008 /nfs/dbraw/zinc/38/90/08/557389008.db2.gz QAYKGJBDCVHTRW-KRWDZBQOSA-N -1 3 430.555 3.856 40 0 IHABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000223647552 557496704 /nfs/dbraw/zinc/49/67/04/557496704.db2.gz RDZGDZUELNXHRK-UHFFFAOYSA-N -1 3 428.297 3.672 40 0 IHABHM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000223673105 557500241 /nfs/dbraw/zinc/50/02/41/557500241.db2.gz ACNSCMQCUXMEEN-GFCCVEGCSA-N -1 3 436.946 3.792 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2CN2CCCC2=O)c(Cl)c1Cl ZINC000223695460 557503095 /nfs/dbraw/zinc/50/30/95/557503095.db2.gz CALSDXQOAIDBAU-UHFFFAOYSA-N -1 3 443.352 3.603 40 0 IHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2C(C)(C)C)c1 ZINC000223733798 557507180 /nfs/dbraw/zinc/50/71/80/557507180.db2.gz RXIUHUFKLMMUQI-UHFFFAOYSA-N -1 3 425.934 3.781 40 0 IHABHM Cc1ccc(C)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000224293824 557586591 /nfs/dbraw/zinc/58/65/91/557586591.db2.gz DDCQRNXLONZHOA-OAHLLOKOSA-N -1 3 430.555 3.755 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1N1CCCC1=O ZINC000224377987 557599274 /nfs/dbraw/zinc/59/92/74/557599274.db2.gz FHEUPTQFNCCVDL-UHFFFAOYSA-N -1 3 437.521 3.609 40 0 IHABHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224574117 557625823 /nfs/dbraw/zinc/62/58/23/557625823.db2.gz GUPQZJDLAGLJSK-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM CC(C)n1c(=O)sc2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)ccc21 ZINC000225162875 557694452 /nfs/dbraw/zinc/69/44/52/557694452.db2.gz MCXOEMJATBYCKR-UHFFFAOYSA-N -1 3 439.946 3.921 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(OC)cc1 ZINC000225321957 557711254 /nfs/dbraw/zinc/71/12/54/557711254.db2.gz WGDQNNUJIOPPQO-QGZVFWFLSA-N -1 3 446.554 3.537 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000225478298 557727732 /nfs/dbraw/zinc/72/77/32/557727732.db2.gz QOMWXOBDMIOVJV-HNNXBMFYSA-N -1 3 436.946 3.873 40 0 IHABHM CCCn1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(C(=O)OC)ccc3Cl)ccc21 ZINC000225727175 557769359 /nfs/dbraw/zinc/76/93/59/557769359.db2.gz JCZLQIIZLOKWDZ-UHFFFAOYSA-N -1 3 440.930 3.714 40 0 IHABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cc1Cl ZINC000225923864 557792957 /nfs/dbraw/zinc/79/29/57/557792957.db2.gz NLVGMGBSUGMEBO-UHFFFAOYSA-N -1 3 449.331 3.978 40 0 IHABHM CCOCc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OC ZINC000072393164 568615305 /nfs/dbraw/zinc/61/53/05/568615305.db2.gz MMNBJVZPCHBSTC-FQEVSTJZSA-N -1 3 434.540 3.757 40 0 IHABHM CCOCc1cc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OC ZINC000072393164 568615312 /nfs/dbraw/zinc/61/53/12/568615312.db2.gz MMNBJVZPCHBSTC-FQEVSTJZSA-N -1 3 434.540 3.757 40 0 IHABHM COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226244050 569177985 /nfs/dbraw/zinc/17/79/85/569177985.db2.gz ZGBFXCUMARAUGV-UHFFFAOYSA-N -1 3 425.304 3.607 40 0 IHABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[n-]c(=O)c3C2)cc1 ZINC000247867448 569206403 /nfs/dbraw/zinc/20/64/03/569206403.db2.gz BNQWYXJCFUPZJG-AUSIDOKSSA-N -1 3 448.567 3.769 40 0 IHABHM CN1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590212 569227249 /nfs/dbraw/zinc/22/72/49/569227249.db2.gz NTNGDOTZDZICGB-XUZZJYLKSA-N -1 3 448.611 3.828 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000033713441 569245957 /nfs/dbraw/zinc/24/59/57/569245957.db2.gz GXWVXAXMKZNTCL-QGZVFWFLSA-N -1 3 440.521 3.752 40 0 IHABHM COc1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000105942414 569250367 /nfs/dbraw/zinc/25/03/67/569250367.db2.gz KRRYFEPYZMYZER-UHFFFAOYSA-N -1 3 435.303 3.679 40 0 IHABHM COc1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000105942414 569250368 /nfs/dbraw/zinc/25/03/68/569250368.db2.gz KRRYFEPYZMYZER-UHFFFAOYSA-N -1 3 435.303 3.679 40 0 IHABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000017748931 569265166 /nfs/dbraw/zinc/26/51/66/569265166.db2.gz FBYKKEJUYQCEDB-VABKMULXSA-N -1 3 448.450 3.894 40 0 IHABHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000009307236 569295230 /nfs/dbraw/zinc/29/52/30/569295230.db2.gz OQASDXQACGOCDP-FKBYEOEOSA-N -1 3 428.444 3.744 40 0 IHABHM OCCN1CCC(Cc2nc([N-]c3ncc(-c4ccc(F)cc4)s3)ncc2F)CC1 ZINC000143379791 569551002 /nfs/dbraw/zinc/55/10/02/569551002.db2.gz NWBYVUDIRJSZEZ-UHFFFAOYSA-N -1 3 431.512 3.869 40 0 IHABHM CCCc1c(COC)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c1=O ZINC000022448501 521338665 /nfs/dbraw/zinc/33/86/65/521338665.db2.gz YZHCXLSJIDWIDX-UHFFFAOYSA-N -1 3 432.568 3.780 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(Cl)c1 ZINC000020494091 521515510 /nfs/dbraw/zinc/51/55/10/521515510.db2.gz NMVLSQIIHNMZAL-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM O=C(CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21)Nc1cccc(Cl)c1 ZINC000022720373 527091787 /nfs/dbraw/zinc/09/17/87/527091787.db2.gz AKEUNOXEVOGYLB-UHFFFAOYSA-N -1 3 447.307 3.930 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCCC1 ZINC000408555940 555893298 /nfs/dbraw/zinc/89/32/98/555893298.db2.gz BIZYXFBJAATPPR-UHFFFAOYSA-N -1 3 428.432 3.507 40 0 IHABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408600381 555958977 /nfs/dbraw/zinc/95/89/77/555958977.db2.gz ALWUTBGGJLDWCQ-ZDUSSCGKSA-N -1 3 430.448 3.798 40 0 IHABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408594790 555961154 /nfs/dbraw/zinc/96/11/54/555961154.db2.gz PHPKSPKJWMQXEI-GOSISDBHSA-N -1 3 446.569 3.545 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000408608906 555979428 /nfs/dbraw/zinc/97/94/28/555979428.db2.gz QIIAYNCBWMSQIM-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)cc1 ZINC000408675369 556069410 /nfs/dbraw/zinc/06/94/10/556069410.db2.gz WVWVGHHIOWSFTK-UHFFFAOYSA-N -1 3 446.569 3.832 40 0 IHABHM COc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@H]3COC(=O)[C@@H]32)cc(Br)c1[O-] ZINC000008655142 556196830 /nfs/dbraw/zinc/19/68/30/556196830.db2.gz YHYWCWAKWGMRSK-NXXSPTCGSA-N -1 3 449.297 3.658 40 0 IHABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000008735666 556204856 /nfs/dbraw/zinc/20/48/56/556204856.db2.gz APARKEVXSWZVIP-BDTNDASRSA-N -1 3 446.434 3.663 40 0 IHABHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1OCC ZINC000030758205 556505177 /nfs/dbraw/zinc/50/51/77/556505177.db2.gz DTMZXSIVZMZDPN-CYBMUJFWSA-N -1 3 440.949 4.000 40 0 IHABHM O=C(c1ccc([O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000032101258 556529422 /nfs/dbraw/zinc/52/94/22/556529422.db2.gz GDIRHIRHJVVDPQ-INIZCTEOSA-N -1 3 429.192 3.656 40 0 IHABHM Cc1cc2nn(-c3ccccc3)nc2cc1NC([S-])=NC(=O)C(Cl)(Cl)Cl ZINC000016284507 556597248 /nfs/dbraw/zinc/59/72/48/556597248.db2.gz LWTFPOQQLWKKJE-UHFFFAOYSA-N -1 3 428.732 3.912 40 0 IHABHM Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)[N-]C(=O)C(Cl)(Cl)Cl ZINC000016284507 556597249 /nfs/dbraw/zinc/59/72/49/556597249.db2.gz LWTFPOQQLWKKJE-UHFFFAOYSA-N -1 3 428.732 3.912 40 0 IHABHM O=C(CC1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014736 556691707 /nfs/dbraw/zinc/69/17/07/556691707.db2.gz ZOHNSANSJQUNPI-FQEVSTJZSA-N -1 3 426.561 3.501 40 0 IHABHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)cc1 ZINC000019135378 556705754 /nfs/dbraw/zinc/70/57/54/556705754.db2.gz QGHHUVGOJBTJFH-JOCHJYFZSA-N -1 3 433.556 3.877 40 0 IHABHM Cn1c(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)nc2ccccc21 ZINC000019289906 556729648 /nfs/dbraw/zinc/72/96/48/556729648.db2.gz UYJWLWSUWSWMGC-MRXNPFEDSA-N -1 3 447.564 3.724 40 0 IHABHM O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343567 556741324 /nfs/dbraw/zinc/74/13/24/556741324.db2.gz USBMAXDGRCVXMD-HXUWFJFHSA-N -1 3 426.586 3.634 40 0 IHABHM O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349262 556744030 /nfs/dbraw/zinc/74/40/30/556744030.db2.gz DPVQHCVDUHIESM-QFIPXVFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C1S/C(=C\c2cc(I)c([O-])cc2O)C(=O)N1c1ccccc1 ZINC000408807068 556859234 /nfs/dbraw/zinc/85/92/34/556859234.db2.gz BWEUIAJMMDSLEY-AUWJEWJLSA-N -1 3 439.230 3.943 40 0 IHABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1Cl ZINC000071980569 556890006 /nfs/dbraw/zinc/89/00/06/556890006.db2.gz BZIUWIUSOQMVBS-LJQANCHMSA-N -1 3 449.334 3.911 40 0 IHABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc2ccccc21 ZINC000071980623 556890037 /nfs/dbraw/zinc/89/00/37/556890037.db2.gz OTACSUZBHYTIQC-HSZRJFAPSA-N -1 3 430.504 3.758 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000019886489 556938640 /nfs/dbraw/zinc/93/86/40/556938640.db2.gz IGAPPSPOXSNTCA-UHFFFAOYSA-N -1 3 429.542 3.763 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(Cl)cc1Cl ZINC000409145235 556976488 /nfs/dbraw/zinc/97/64/88/556976488.db2.gz NJZLXOHQKMVZCA-UHFFFAOYSA-N -1 3 442.151 3.895 40 0 IHABHM COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)cc1 ZINC000409154956 556979377 /nfs/dbraw/zinc/97/93/77/556979377.db2.gz HVZGJTNISGAMHX-SXGWCWSVSA-N -1 3 448.884 3.738 40 0 IHABHM CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409216705 557011744 /nfs/dbraw/zinc/01/17/44/557011744.db2.gz KHOVBEVFAYSGHN-MRACZJACSA-N -1 3 444.303 3.541 40 0 IHABHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccco2)[n-]1 ZINC000409276222 557044475 /nfs/dbraw/zinc/04/44/75/557044475.db2.gz YWKZYODXSPFLDQ-UHFFFAOYSA-N -1 3 434.499 3.545 40 0 IHABHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccco2)n[n-]1 ZINC000409276222 557044476 /nfs/dbraw/zinc/04/44/76/557044476.db2.gz YWKZYODXSPFLDQ-UHFFFAOYSA-N 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Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)cc1 ZINC000222672306 557371606 /nfs/dbraw/zinc/37/16/06/557371606.db2.gz QAKDOTZJUKTMOX-UHFFFAOYSA-N -1 3 442.512 3.972 40 0 IHABHM COc1ccc([C@H]2CC(=O)c3c[n-]c4nn(-c5nc6ccccc6o5)c(=O)c-4c3C2)cc1 ZINC000013639645 557384787 /nfs/dbraw/zinc/38/47/87/557384787.db2.gz VOGOOKZBPWZPEW-CQSZACIVSA-N -1 3 426.432 3.776 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000223082893 557428229 /nfs/dbraw/zinc/42/82/29/557428229.db2.gz ITALWWGKGKHNTA-OAHLLOKOSA-N -1 3 436.946 3.873 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224956324 557671130 /nfs/dbraw/zinc/67/11/30/557671130.db2.gz XPFHZAMXVPRIJL-UHFFFAOYSA-N -1 3 443.569 3.722 40 0 IHABHM CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)s1 ZINC000225627844 557753958 /nfs/dbraw/zinc/75/39/58/557753958.db2.gz MPHFVPLLKSCNQW-UHFFFAOYSA-N -1 3 447.007 3.586 40 0 IHABHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 ZINC000225828298 557781920 /nfs/dbraw/zinc/78/19/20/557781920.db2.gz QSAVJVLGMZSVSE-QGZVFWFLSA-N -1 3 444.582 3.899 40 0 IHABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000034889620 568622636 /nfs/dbraw/zinc/62/26/36/568622636.db2.gz QAWBLXDHHDSTAY-ZDUSSCGKSA-N -1 3 441.347 3.543 40 0 IHABHM COC(=O)c1cnc([N-]c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)s1 ZINC000257320548 568720288 /nfs/dbraw/zinc/72/02/88/568720288.db2.gz VXIAGKXDLAJYTR-UHFFFAOYSA-N -1 3 433.534 3.886 40 0 IHABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257327466 568723418 /nfs/dbraw/zinc/72/34/18/568723418.db2.gz XBLMBSSRKFJZJK-HXUWFJFHSA-N -1 3 439.581 3.847 40 0 IHABHM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257327466 568723420 /nfs/dbraw/zinc/72/34/20/568723420.db2.gz XBLMBSSRKFJZJK-HXUWFJFHSA-N -1 3 439.581 3.847 40 0 IHABHM CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261363285 569315757 /nfs/dbraw/zinc/31/57/57/569315757.db2.gz QSGRWCSAYMNBAI-SFHVURJKSA-O -1 3 431.925 3.979 40 0 IHABHM Cc1cnc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)s1 ZINC000585262649 569584784 /nfs/dbraw/zinc/58/47/84/569584784.db2.gz OJOVKCWZKXPRTM-UHFFFAOYSA-N -1 3 449.989 4.207 40 0 IHABHM CC(C)(C(=O)N1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1)c1ccc(Cl)cc1 ZINC000012113696 518508758 /nfs/dbraw/zinc/50/87/58/518508758.db2.gz PESFZHBYDNVCKA-UHFFFAOYSA-N -1 3 428.964 3.683 40 0 IHABHM COCCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474698 522070978 /nfs/dbraw/zinc/07/09/78/522070978.db2.gz NJLRMPYKWILZCB-MRXNPFEDSA-N -1 3 440.569 3.801 40 0 IHABHM CCCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)c1 ZINC000002866613 555847425 /nfs/dbraw/zinc/84/74/25/555847425.db2.gz IVOIDBVVNSDLPP-UEXGIBASSA-N -1 3 436.430 3.888 40 0 IHABHM O=C(C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000003848909 555948665 /nfs/dbraw/zinc/94/86/65/555948665.db2.gz FWCNVJZIFZZVKR-FXAWDEMLSA-N -1 3 449.260 3.729 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCOCC1 ZINC000408606353 555966980 /nfs/dbraw/zinc/96/69/80/555966980.db2.gz OZKCLCBGKWZENS-UHFFFAOYSA-N -1 3 429.325 3.575 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl ZINC000408606904 555967326 /nfs/dbraw/zinc/96/73/26/555967326.db2.gz PHWLBEZUGPELIH-UHFFFAOYSA-N -1 3 434.901 3.737 40 0 IHABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1)C(=O)NC1CCCCC1 ZINC000408611858 555976968 /nfs/dbraw/zinc/97/69/68/555976968.db2.gz RWJWKAVKRMMAHC-AWEZNQCLSA-N -1 3 438.496 3.982 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408627291 555998135 /nfs/dbraw/zinc/99/81/35/555998135.db2.gz ZEMPOGHZKWTQAG-SNVBAGLBSA-N -1 3 436.839 3.673 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(C)c2)cc1C ZINC000408674936 556066133 /nfs/dbraw/zinc/06/61/33/556066133.db2.gz NCLXOAHQFHGJGN-UHFFFAOYSA-N -1 3 439.537 3.503 40 0 IHABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000408679923 556074636 /nfs/dbraw/zinc/07/46/36/556074636.db2.gz WUBLCOMHMTYEHJ-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1[N-]S(C)(=O)=O ZINC000010112990 556326224 /nfs/dbraw/zinc/32/62/24/556326224.db2.gz RTDFICVOPDIOSV-UHFFFAOYSA-N -1 3 429.542 3.635 40 0 IHABHM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)ccc1Cl ZINC000030864659 556511973 /nfs/dbraw/zinc/51/19/73/556511973.db2.gz AXZONCYQOVUIGU-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 ZINC000015439016 556528269 /nfs/dbraw/zinc/52/82/69/556528269.db2.gz HTEZGCJBRGPUMW-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 ZINC000040400511 556643336 /nfs/dbraw/zinc/64/33/36/556643336.db2.gz QDKYKDXLWUNPPV-AWEZNQCLSA-N -1 3 437.887 3.848 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085292 556698971 /nfs/dbraw/zinc/69/89/71/556698971.db2.gz BQASSZZHMSHYAG-AZUAARDMSA-N -1 3 440.588 3.607 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085252 556699034 /nfs/dbraw/zinc/69/90/34/556699034.db2.gz ZCBDAZIQPZBEIM-VQTJNVASSA-N -1 3 440.588 3.607 40 0 IHABHM Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1C ZINC000019214137 556711061 /nfs/dbraw/zinc/71/10/61/556711061.db2.gz IKXKUGVNWPLGFF-MRXNPFEDSA-N -1 3 438.553 3.684 40 0 IHABHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2ccncc2)C3)c1 ZINC000019234416 556718498 /nfs/dbraw/zinc/71/84/98/556718498.db2.gz IOTBFLJYXWBAJO-HSZRJFAPSA-N -1 3 443.551 3.811 40 0 IHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2cccc(F)c2)cc(=O)[n-]1 ZINC000019240951 556726859 /nfs/dbraw/zinc/72/68/59/556726859.db2.gz IWWPGLIWRRKWKN-SPLOXXLWSA-N -1 3 434.471 3.566 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000013769885 556730107 /nfs/dbraw/zinc/73/01/07/556730107.db2.gz ZZEGYUHGFNNAND-VABKMULXSA-N -1 3 429.476 3.922 40 0 IHABHM O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019400118 556752946 /nfs/dbraw/zinc/75/29/46/556752946.db2.gz PRVBXUWJYIPEBS-FQEVSTJZSA-N -1 3 435.553 3.564 40 0 IHABHM CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019500096 556772178 /nfs/dbraw/zinc/77/21/78/556772178.db2.gz GPHVABVUNPPSSG-IBGZPJMESA-N -1 3 438.572 3.501 40 0 IHABHM CSCC[C@@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019581328 556819387 /nfs/dbraw/zinc/81/93/87/556819387.db2.gz DGGXMAKZNCFKSS-QGZVFWFLSA-N -1 3 438.553 3.836 40 0 IHABHM Cc1cccc(N2CCN(C(=O)Cc3cnc(-c4ccc(Cl)cc4)[n-]c3=O)CC2)c1C ZINC000019937721 556951758 /nfs/dbraw/zinc/95/17/58/556951758.db2.gz HYAWIJIZWKKRID-UHFFFAOYSA-N -1 3 436.943 3.598 40 0 IHABHM COC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)CCCC2 ZINC000020046755 556973612 /nfs/dbraw/zinc/97/36/12/556973612.db2.gz HZUQIQCTUKQHMT-UHFFFAOYSA-N -1 3 442.946 3.691 40 0 IHABHM O=CN([O-])[C@H](CS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000073633119 556977298 /nfs/dbraw/zinc/97/72/98/556977298.db2.gz CKPJPTGSUFIXOU-HSZRJFAPSA-N -1 3 425.506 3.769 40 0 IHABHM C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc([O-])c(I)c2)S1 ZINC000222583070 557356006 /nfs/dbraw/zinc/35/60/06/557356006.db2.gz WVZCHJKYRJONMQ-HNHYXYPQSA-N -1 3 437.306 3.981 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N(C)c1ccc(F)cc1 ZINC000222798778 557387852 /nfs/dbraw/zinc/38/78/52/557387852.db2.gz TWTOEZUMBOQEDT-UHFFFAOYSA-N -1 3 428.485 3.977 40 0 IHABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c1 ZINC000222803517 557388490 /nfs/dbraw/zinc/38/84/90/557388490.db2.gz HFDFQHWDJGDIQG-UHFFFAOYSA-N -1 3 442.512 3.939 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(OC)c(C)c1 ZINC000223167259 557440862 /nfs/dbraw/zinc/44/08/62/557440862.db2.gz ABOCJUXNXUSVCV-INIZCTEOSA-N -1 3 446.554 3.537 40 0 IHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 ZINC000224086213 557558651 /nfs/dbraw/zinc/55/86/51/557558651.db2.gz OCWFBTWONSMKMG-UHFFFAOYSA-N -1 3 428.919 3.608 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3F)ccc2C)cc1 ZINC000224102493 557561280 /nfs/dbraw/zinc/56/12/80/557561280.db2.gz PUXLFGMNMHXIMK-UHFFFAOYSA-N -1 3 428.485 3.874 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(C)c(Cl)c1 ZINC000224189778 557572957 /nfs/dbraw/zinc/57/29/57/557572957.db2.gz IRIDSIUTSUHWFX-UHFFFAOYSA-N -1 3 434.739 3.777 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccccc1C ZINC000225432717 557722325 /nfs/dbraw/zinc/72/23/25/557722325.db2.gz RSLCXGAFOHOUFE-KRWDZBQOSA-N -1 3 430.555 3.837 40 0 IHABHM CCc1ccc(CC)c(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 ZINC000225507444 557731989 /nfs/dbraw/zinc/73/19/89/557731989.db2.gz WWVVHYQSPYEVIZ-UHFFFAOYSA-N -1 3 444.582 3.702 40 0 IHABHM CC(C)=CCc1c2c(c([O-])c3c1O[C@H]1Oc4cc(O)ccc4[C@]1(O)C3=O)C=CC(C)(C)O2 ZINC000015203537 560229135 /nfs/dbraw/zinc/22/91/35/560229135.db2.gz DQNIDSLDXGTEPL-NOZRDPDXSA-N -1 3 436.460 3.972 40 0 biogenic,in-vitro IHABHM CC(C)(C)c1ccc(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)c(OCC(=O)[O-])c1 ZINC000257240255 568683731 /nfs/dbraw/zinc/68/37/31/568683731.db2.gz HSTNOUKPNXEWOV-VXKWHMMOSA-N -1 3 445.531 3.991 40 0 IHABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257249076 568688110 /nfs/dbraw/zinc/68/81/10/568688110.db2.gz JGRJYGPOKBKHJX-OAQYLSRUSA-N -1 3 448.527 3.582 40 0 IHABHM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)cc1 ZINC000257332173 568725219 /nfs/dbraw/zinc/72/52/19/568725219.db2.gz XWBNGZQQUARYDL-UHFFFAOYSA-N -1 3 426.460 3.810 40 0 IHABHM CCc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)[O-])c1 ZINC000005956508 569218580 /nfs/dbraw/zinc/21/85/80/569218580.db2.gz IBYPCZOGLBHBTO-QFIPXVFZSA-N -1 3 427.541 3.751 40 0 IHABHM O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343681 569226360 /nfs/dbraw/zinc/22/63/60/569226360.db2.gz KRDIPOAUYWQLDT-UTKZUKDTSA-N -1 3 438.597 3.800 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000009282639 569294940 /nfs/dbraw/zinc/29/49/40/569294940.db2.gz ZZEGYUHGFNNAND-ZRBLBEILSA-N -1 3 429.476 3.922 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000009465908 569296599 /nfs/dbraw/zinc/29/65/99/569296599.db2.gz CGDNNSCPXPIDBQ-ZLNRFVROSA-N -1 3 429.476 3.922 40 0 IHABHM CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012481658 518615032 /nfs/dbraw/zinc/61/50/32/518615032.db2.gz DVSQAEHTHOOEBX-PMACEKPBSA-N -1 3 447.595 3.713 40 0 biogenic,in-vitro IHABHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246350 520525492 /nfs/dbraw/zinc/52/54/92/520525492.db2.gz WVGXISARQOFRFA-QGZVFWFLSA-N -1 3 429.369 3.751 40 0 IHABHM COCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]c(=O)c1CCc1ccccc1 ZINC000022448790 523211961 /nfs/dbraw/zinc/21/19/61/523211961.db2.gz CEHAEFDSGKHIDF-UHFFFAOYSA-N -1 3 438.959 3.682 40 0 IHABHM Cc1ccccc1NC(=O)CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21 ZINC000022720337 525242702 /nfs/dbraw/zinc/24/27/02/525242702.db2.gz MRLUAIJSUSRSGW-UHFFFAOYSA-N -1 3 426.889 3.585 40 0 IHABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000012481385 527628780 /nfs/dbraw/zinc/62/87/80/527628780.db2.gz MNGVNOPSGSEVEM-GOTSBHOMSA-N -1 3 441.616 3.718 40 0 biogenic,in-vitro IHABHM CC(C)CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408595597 555961877 /nfs/dbraw/zinc/96/18/77/555961877.db2.gz QVZOIGWJVCKQNN-QGZVFWFLSA-N -1 3 429.369 3.655 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408610887 555981061 /nfs/dbraw/zinc/98/10/61/555981061.db2.gz UXVPHNCKGQREFU-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000408618382 555981804 /nfs/dbraw/zinc/98/18/04/555981804.db2.gz FYUWSZOGFMCMIZ-JTQLQIEISA-N -1 3 436.839 3.673 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)c(C)c2)cc1C ZINC000408675133 556066348 /nfs/dbraw/zinc/06/63/48/556066348.db2.gz SPBJFXSHQAGDQB-UHFFFAOYSA-N -1 3 448.585 3.723 40 0 IHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1C ZINC000408675454 556067849 /nfs/dbraw/zinc/06/78/49/556067849.db2.gz ZXNHNMHZGWJDAL-UHFFFAOYSA-N -1 3 434.558 3.880 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(C)c2)cc1 ZINC000408675607 556068206 /nfs/dbraw/zinc/06/82/06/556068206.db2.gz JNVVPANNMSYSTM-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000100799324 556591541 /nfs/dbraw/zinc/59/15/41/556591541.db2.gz KRTFUMFAYMRUBY-FSSWDIPSSA-N -1 3 446.459 3.816 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)cc1C ZINC000040399260 556641811 /nfs/dbraw/zinc/64/18/11/556641811.db2.gz DWBRZHDGQKMDGL-INIZCTEOSA-N -1 3 437.887 3.848 40 0 IHABHM COc1cccc([N-]S(=O)(=O)c2cc(Br)c(N)c(Br)c2)c1 ZINC000226318476 556684287 /nfs/dbraw/zinc/68/42/87/556684287.db2.gz MQZFQFPQSBYDEC-UHFFFAOYSA-N -1 3 436.125 3.603 40 0 IHABHM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078054 556695093 /nfs/dbraw/zinc/69/50/93/556695093.db2.gz LNOWFYBXXOLCHB-CYBMUJFWSA-N -1 3 428.489 3.618 40 0 IHABHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2F)C3)cc1 ZINC000019135286 556705717 /nfs/dbraw/zinc/70/57/17/556705717.db2.gz CXDSKJUDHOXGLP-HSZRJFAPSA-N -1 3 446.526 3.753 40 0 IHABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)C2ON1c1ccccc1 ZINC000013811310 556743847 /nfs/dbraw/zinc/74/38/47/556743847.db2.gz JRCAJBKWMVHQDJ-FSSWDIPSSA-N -1 3 428.444 3.744 40 0 IHABHM O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019400122 556752760 /nfs/dbraw/zinc/75/27/60/556752760.db2.gz PRVBXUWJYIPEBS-HXUWFJFHSA-N -1 3 435.553 3.564 40 0 IHABHM CC(C)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)nc2C1 ZINC000019448381 556758055 /nfs/dbraw/zinc/75/80/55/556758055.db2.gz UFOCLJZNDIBJRY-FQEVSTJZSA-N -1 3 440.975 3.997 40 0 IHABHM COc1cc(CN[C@@H](Cc2cc(=O)[n-]c(C(C)C)n2)c2ccccc2)cc2c1OCCO2 ZINC000019453594 556764401 /nfs/dbraw/zinc/76/44/01/556764401.db2.gz ITPNVEOAYXLHRN-FQEVSTJZSA-N -1 3 435.524 3.747 40 0 IHABHM CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)[n-]c2=O)C1 ZINC000019497954 556770298 /nfs/dbraw/zinc/77/02/98/556770298.db2.gz CLVONTLHCYZYFV-HRAATJIYSA-N -1 3 436.556 3.640 40 0 IHABHM COc1ccc(OC)c(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1 ZINC000019551020 556795479 /nfs/dbraw/zinc/79/54/79/556795479.db2.gz BXKBWOVMOYSHIV-UHFFFAOYSA-N -1 3 425.510 3.535 40 0 IHABHM COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019551060 556795716 /nfs/dbraw/zinc/79/57/16/556795716.db2.gz ISMBSMWBKQHXDQ-GOSISDBHSA-N -1 3 425.510 3.883 40 0 IHABHM C=Cn1ncc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c1C ZINC000019554342 556797835 /nfs/dbraw/zinc/79/78/35/556797835.db2.gz ZHWYYOBTIQJROH-GOSISDBHSA-N -1 3 426.492 3.681 40 0 IHABHM COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019571414 556811566 /nfs/dbraw/zinc/81/15/66/556811566.db2.gz SFENWFPCFZQQTB-QGZVFWFLSA-N -1 3 425.510 3.640 40 0 IHABHM CCCCN1C(=O)S/C(=C\c2cc(I)c([O-])c(OC)c2)C1=O ZINC000409051130 556932867 /nfs/dbraw/zinc/93/28/67/556932867.db2.gz ALBRQQCMKKESMP-WQLSENKSSA-N -1 3 433.267 3.842 40 0 IHABHM CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)[n-]c2=O)C1 ZINC000072399104 556971434 /nfs/dbraw/zinc/97/14/34/556971434.db2.gz CLVONTLHCYZYFV-IIBYNOLFSA-N -1 3 436.556 3.640 40 0 IHABHM CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)[n-]c2=O)C1 ZINC000072399105 556971497 /nfs/dbraw/zinc/97/14/97/556971497.db2.gz CLVONTLHCYZYFV-IERDGZPVSA-N -1 3 436.556 3.640 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1 ZINC000409379304 557094289 /nfs/dbraw/zinc/09/42/89/557094289.db2.gz VYLFIYMOYJSJFD-UHFFFAOYSA-N -1 3 448.447 3.792 40 0 IHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101406776 557124169 /nfs/dbraw/zinc/12/41/69/557124169.db2.gz YBRGBAURKIDORR-IEBWSBKVSA-N -1 3 430.291 3.933 40 0 IHABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137894601 557153478 /nfs/dbraw/zinc/15/34/78/557153478.db2.gz ARZHICNHPZMVIN-RJGXRXQPSA-N -1 3 430.460 3.755 40 0 IHABHM N=C(Nc1ccc2c(c1)OCCO2)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009938492 557194236 /nfs/dbraw/zinc/19/42/36/557194236.db2.gz YHPWPBVVXNGVFH-UHFFFAOYSA-N -1 3 443.916 3.946 40 0 IHABHM Cc1cc(CN2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)C(C)C)C4)cs1 ZINC000100234391 557252995 /nfs/dbraw/zinc/25/29/95/557252995.db2.gz BNCAQMWHHITDMN-HXUWFJFHSA-N -1 3 439.585 3.683 40 0 IHABHM Cc1cccc(CN2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C2CC2)CC4)c1 ZINC000100243232 557255781 /nfs/dbraw/zinc/25/57/81/557255781.db2.gz GYIWTLXDWWVVKG-HSZRJFAPSA-N -1 3 445.567 3.765 40 0 IHABHM 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ZINC000100703771 557454927 /nfs/dbraw/zinc/45/49/27/557454927.db2.gz LHGVFDMVGMIFLC-AWEZNQCLSA-N -1 3 435.383 3.885 40 0 IHABHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccccc1 ZINC000223410827 557468627 /nfs/dbraw/zinc/46/86/27/557468627.db2.gz YOGXFRGHTYVASC-QGZVFWFLSA-N -1 3 430.555 3.509 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3C)no2)c(Cl)c1Cl ZINC000223576851 557487849 /nfs/dbraw/zinc/48/78/49/557487849.db2.gz ATDUCPJAOYPUJP-UHFFFAOYSA-N -1 3 428.297 3.839 40 0 IHABHM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223643563 557495935 /nfs/dbraw/zinc/49/59/35/557495935.db2.gz CGMGXGRCZNSSOO-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(C(C)(C)C)cc2)c1 ZINC000223659659 557498691 /nfs/dbraw/zinc/49/86/91/557498691.db2.gz RBWVIFQCCDIGLN-UHFFFAOYSA-N -1 3 425.934 3.781 40 0 IHABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)cc1NC(C)=O ZINC000224288318 557586050 /nfs/dbraw/zinc/58/60/50/557586050.db2.gz HYPQUINROZOMIG-UHFFFAOYSA-N -1 3 449.598 3.641 40 0 IHABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000224548174 557620632 /nfs/dbraw/zinc/62/06/32/557620632.db2.gz KWIPQPCRWKCFBW-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM Cc1cc(CN2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@@H]32)cc(C(=O)[O-])c1O ZINC000257212243 568670682 /nfs/dbraw/zinc/67/06/82/568670682.db2.gz CCMNHASYUANSKR-MXKPZRPRSA-N -1 3 439.508 3.996 40 0 IHABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257248751 568687818 /nfs/dbraw/zinc/68/78/18/568687818.db2.gz JFAGALMBWQEYSW-ZNTQHIFFSA-N -1 3 439.508 3.747 40 0 IHABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257327465 568722972 /nfs/dbraw/zinc/72/29/72/568722972.db2.gz XBLMBSSRKFJZJK-FQEVSTJZSA-N -1 3 439.581 3.847 40 0 IHABHM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257327465 568722976 /nfs/dbraw/zinc/72/29/76/568722976.db2.gz XBLMBSSRKFJZJK-FQEVSTJZSA-N -1 3 439.581 3.847 40 0 IHABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C[C@@H]4C=CCC4)[n-]c(=O)c3C2)cc1 ZINC000247909963 569206396 /nfs/dbraw/zinc/20/63/96/569206396.db2.gz UBWKYTZCKVZNMI-WZONZLPQSA-N -1 3 448.567 3.769 40 0 IHABHM Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000010314817 569222554 /nfs/dbraw/zinc/22/25/54/569222554.db2.gz JORIKQGKHUQLKS-UHFFFAOYSA-N -1 3 429.542 3.681 40 0 IHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc(Cl)c1[O-] ZINC000033652914 569245394 /nfs/dbraw/zinc/24/53/94/569245394.db2.gz OZYZAOVHOHQFRV-WJDWOHSUSA-N -1 3 438.933 3.883 40 0 IHABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000139107524 569254699 /nfs/dbraw/zinc/25/46/99/569254699.db2.gz ZNCCGRRQANXUNU-ZWKOTPCHSA-N -1 3 437.544 3.727 40 0 IHABHM COCc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000012163606 522953842 /nfs/dbraw/zinc/95/38/42/522953842.db2.gz RTSMQTKCNSLWLW-FCHUYYIVSA-N -1 3 433.508 3.669 40 0 IHABHM Cc1cc(C)n2ncc(C(=O)N[C@@H](Cc3cc(=O)[n-]c(C(C)C)n3)c3ccccc3)c2n1 ZINC000019116562 524572620 /nfs/dbraw/zinc/57/26/20/524572620.db2.gz KAMAETYXUILNIW-FQEVSTJZSA-N -1 3 430.512 3.679 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000001329690 555690345 /nfs/dbraw/zinc/69/03/45/555690345.db2.gz XGVRCRHGWFLUCI-UHFFFAOYSA-N -1 3 446.554 3.846 40 0 IHABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000035045741 555705998 /nfs/dbraw/zinc/70/59/98/555705998.db2.gz YBRGBAURKIDORR-HKUYNNGSSA-N -1 3 430.291 3.933 40 0 IHABHM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408561394 555903553 /nfs/dbraw/zinc/90/35/53/555903553.db2.gz ITWLXTTYEVAEKV-UHFFFAOYSA-N -1 3 428.913 3.821 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)c(Cl)c2)cc1 ZINC000408592817 555954232 /nfs/dbraw/zinc/95/42/32/555954232.db2.gz LYJZAEWLCDGSRV-UHFFFAOYSA-N -1 3 445.928 3.539 40 0 IHABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408598346 555956943 /nfs/dbraw/zinc/95/69/43/555956943.db2.gz ZFVIZMIPYQMLGR-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000408627208 555998084 /nfs/dbraw/zinc/99/80/84/555998084.db2.gz YJZOGCXZHCMWID-SNVBAGLBSA-N -1 3 436.839 3.673 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(C)c2)cc1 ZINC000408674563 556065791 /nfs/dbraw/zinc/06/57/91/556065791.db2.gz AJHLIEULEDCRPN-UHFFFAOYSA-N -1 3 446.569 3.976 40 0 IHABHM O=C(c1ccc([O-])cc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000032101364 556529339 /nfs/dbraw/zinc/52/93/39/556529339.db2.gz MHUOULSCRWZHOC-MRXNPFEDSA-N -1 3 429.192 3.656 40 0 IHABHM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000015976608 556570535 /nfs/dbraw/zinc/57/05/35/556570535.db2.gz MMIVCPAQTVKEGX-UHFFFAOYSA-N -1 3 428.441 3.665 40 0 IHABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000100934144 556612104 /nfs/dbraw/zinc/61/21/04/556612104.db2.gz RIWJAXKQAMZFDW-VJBWXMMDSA-N -1 3 430.460 3.842 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828378 556620412 /nfs/dbraw/zinc/62/04/12/556620412.db2.gz MFQIXWXKSRYDIE-DAYGRLMNSA-N -1 3 437.544 3.725 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c(C)c1 ZINC000040399264 556641756 /nfs/dbraw/zinc/64/17/56/556641756.db2.gz MLLIMIKBQXZBLG-HNNXBMFYSA-N -1 3 437.887 3.848 40 0 IHABHM O=C(C[C@@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019014872 556692231 /nfs/dbraw/zinc/69/22/31/556692231.db2.gz WXPNYVUTICKDGZ-SIKLNZKXSA-N -1 3 442.604 3.886 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085272 556698976 /nfs/dbraw/zinc/69/89/76/556698976.db2.gz KJTVYGLHPMVMBU-FQEVSTJZSA-N -1 3 442.604 3.831 40 0 IHABHM Cc1cc(C(F)F)nn1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019119223 556700614 /nfs/dbraw/zinc/70/06/14/556700614.db2.gz NSIDLURKMVCIDZ-KRWDZBQOSA-N -1 3 440.454 3.515 40 0 IHABHM Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019136079 556706473 /nfs/dbraw/zinc/70/64/73/556706473.db2.gz WVNQWEIYCDEZQD-JTSKRJEESA-N -1 3 448.567 3.643 40 0 IHABHM Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019220394 556715110 /nfs/dbraw/zinc/71/51/10/556715110.db2.gz OUWWXDZVPLXEGN-HXUWFJFHSA-N -1 3 434.540 3.877 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)CC3CCCC3)[n-]c(=O)c2C1 ZINC000019238678 556723636 /nfs/dbraw/zinc/72/36/36/556723636.db2.gz DSKMGXOLGQEFCO-HXUWFJFHSA-N -1 3 440.613 3.942 40 0 IHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013749414 556725561 /nfs/dbraw/zinc/72/55/61/556725561.db2.gz VARQVJBNNLKMKN-VJBWXMMDSA-N -1 3 448.450 3.894 40 0 IHABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000013759259 556728101 /nfs/dbraw/zinc/72/81/01/556728101.db2.gz VARXRXVMXBPTGE-QHAWAJNXSA-N -1 3 432.407 3.575 40 0 IHABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3Cc3cccs3)[n-]c(=O)c2C1 ZINC000019343464 556741296 /nfs/dbraw/zinc/74/12/96/556741296.db2.gz LRMOPCKHYDECFO-HXUWFJFHSA-N -1 3 438.528 3.506 40 0 IHABHM O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019368819 556746911 /nfs/dbraw/zinc/74/69/11/556746911.db2.gz YSFOPJIZZYMOOT-JOCHJYFZSA-N -1 3 429.524 3.503 40 0 IHABHM CC(C)Oc1cc(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)on1 ZINC000019450519 556761484 /nfs/dbraw/zinc/76/14/84/556761484.db2.gz KSJGWZQAQNZJHQ-HNNXBMFYSA-N -1 3 442.541 3.612 40 0 IHABHM CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019500097 556772099 /nfs/dbraw/zinc/77/20/99/556772099.db2.gz JQCGSOQJZISENK-LJQANCHMSA-N -1 3 438.572 3.501 40 0 IHABHM CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019521275 556778015 /nfs/dbraw/zinc/77/80/15/556778015.db2.gz BXAIUPWCEUOGTC-HXUWFJFHSA-N -1 3 447.470 3.544 40 0 IHABHM CCCn1ncc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019525932 556783785 /nfs/dbraw/zinc/78/37/85/556783785.db2.gz LFDJHMNJXANSSU-NRFANRHFSA-N -1 3 442.535 3.991 40 0 IHABHM CCCn1ncc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019525935 556783892 /nfs/dbraw/zinc/78/38/92/556783892.db2.gz ZEQRMRVMAPVKNW-OAQYLSRUSA-N -1 3 442.535 3.991 40 0 IHABHM COc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)c1 ZINC000019564520 556805456 /nfs/dbraw/zinc/80/54/56/556805456.db2.gz VQPBJFAZJMYIQG-QFIPXVFZSA-N -1 3 436.556 3.859 40 0 IHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000408920383 556890789 /nfs/dbraw/zinc/89/07/89/556890789.db2.gz FMLAKPZPPOJLRB-OAQYLSRUSA-N -1 3 438.505 3.883 40 0 IHABHM CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1[O-] ZINC000409017349 556919367 /nfs/dbraw/zinc/91/93/67/556919367.db2.gz MWQPPNQJCUHFGU-KPKJPENVSA-N -1 3 433.267 3.840 40 0 IHABHM CCCN1C(=O)S/C(=C/c2cc(I)c([O-])c(OCC)c2)C1=O ZINC000409231639 557023233 /nfs/dbraw/zinc/02/32/33/557023233.db2.gz DQCQCUNFAJABFB-XYOKQWHBSA-N -1 3 433.267 3.842 40 0 IHABHM Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])c(C)c1 ZINC000409297588 557054631 /nfs/dbraw/zinc/05/46/31/557054631.db2.gz KZLSIMAQLUPHJJ-SZPZYZBQSA-N -1 3 443.455 3.628 40 0 IHABHM Cc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])c(C)c1 ZINC000409297588 557054633 /nfs/dbraw/zinc/05/46/33/557054633.db2.gz KZLSIMAQLUPHJJ-SZPZYZBQSA-N -1 3 443.455 3.628 40 0 IHABHM CCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)C1 ZINC000013083450 557276460 /nfs/dbraw/zinc/27/64/60/557276460.db2.gz SGADEIYYHISFHC-QGZVFWFLSA-N -1 3 436.560 3.779 40 0 IHABHM O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013116833 557296552 /nfs/dbraw/zinc/29/65/52/557296552.db2.gz VMXIQMJTYJOAHB-MRXNPFEDSA-N -1 3 448.914 3.648 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOc4ccccc43)cc2)cc1 ZINC000222673889 557371952 /nfs/dbraw/zinc/37/19/52/557371952.db2.gz LUWYTDZDCRQZAU-UHFFFAOYSA-N -1 3 438.505 3.600 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1 ZINC000222705892 557376916 /nfs/dbraw/zinc/37/69/16/557376916.db2.gz WETLLMJFYZCCAU-UHFFFAOYSA-N -1 3 440.521 3.928 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(OC)cc3)cc2)cc1 ZINC000013978181 557399894 /nfs/dbraw/zinc/39/98/94/557399894.db2.gz SSBMWSWZCOGQHK-UHFFFAOYSA-N -1 3 442.493 3.522 40 0 IHABHM COC(=O)c1ccc(Cl)c(NC(=O)CSc2n[n-]c(COc3ccccc3)n2)c1 ZINC000014152583 557423598 /nfs/dbraw/zinc/42/35/98/557423598.db2.gz HHSIAPZXVUNSDK-UHFFFAOYSA-N -1 3 432.889 3.555 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(OC)c(C)c1 ZINC000223167213 557440860 /nfs/dbraw/zinc/44/08/60/557440860.db2.gz ABOCJUXNXUSVCV-MRXNPFEDSA-N -1 3 446.554 3.537 40 0 IHABHM C[C@H]1CCCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)C1 ZINC000223171658 557441308 /nfs/dbraw/zinc/44/13/08/557441308.db2.gz XAKLUQFYSPUGTG-VIFPVBQESA-N -1 3 435.358 3.518 40 0 IHABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(F)cc1 ZINC000223225667 557448303 /nfs/dbraw/zinc/44/83/03/557448303.db2.gz OJTUMEITEKBFKH-JTQLQIEISA-N -1 3 440.909 3.622 40 0 IHABHM CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)s1 ZINC000224307424 557588394 /nfs/dbraw/zinc/58/83/94/557588394.db2.gz KDEPYYIPKBEYNU-UHFFFAOYSA-N -1 3 447.007 3.730 40 0 IHABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)cc1 ZINC000224978173 557673697 /nfs/dbraw/zinc/67/36/97/557673697.db2.gz UVHCBOXAJCEEHA-QGZVFWFLSA-N -1 3 430.555 3.509 40 0 IHABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)ccc21 ZINC000224979814 557674109 /nfs/dbraw/zinc/67/41/09/557674109.db2.gz KSIHQFRCXKUETP-UHFFFAOYSA-N -1 3 425.554 3.777 40 0 IHABHM CC(C)([N-]S(=O)(=O)Cc1ccccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000225922578 557792789 /nfs/dbraw/zinc/79/27/89/557792789.db2.gz VDQXAGYTIUVSMG-UHFFFAOYSA-N -1 3 434.411 3.561 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCN1c2ccccc2C[C@H]1C ZINC000260845697 557861822 /nfs/dbraw/zinc/86/18/22/557861822.db2.gz WFRFZGZUKGRFKD-CQSZACIVSA-N -1 3 439.375 3.577 40 0 IHABHM Cc1ncccc1O[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2OCC(=O)[O-])CC[C@@H]1O ZINC000257263875 568694837 /nfs/dbraw/zinc/69/48/37/568694837.db2.gz LRVAATJVAIXDEJ-REWPJTCUSA-N -1 3 442.556 3.555 40 0 IHABHM O=c1[n-]c(C2CCN(Cc3ccccc3F)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000257301239 568711988 /nfs/dbraw/zinc/71/19/88/568711988.db2.gz RXOVJXCTAHEKRU-UHFFFAOYSA-N -1 3 436.466 3.633 40 0 IHABHM CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(Cl)c1[O-] ZINC000261362135 568733281 /nfs/dbraw/zinc/73/32/81/568733281.db2.gz GHINUTRRRWLAJS-GOSISDBHSA-O -1 3 431.925 3.979 40 0 IHABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000247800763 569206140 /nfs/dbraw/zinc/20/61/40/569206140.db2.gz FPKVWBIKHJLCJK-JFSTXAPLSA-N -1 3 447.583 3.625 40 0 IHABHM O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343684 569226416 /nfs/dbraw/zinc/22/64/16/569226416.db2.gz KRDIPOAUYWQLDT-DYESRHJHSA-N -1 3 438.597 3.800 40 0 IHABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018152249 569285043 /nfs/dbraw/zinc/28/50/43/569285043.db2.gz ARZHICNHPZMVIN-VABKMULXSA-N -1 3 430.460 3.755 40 0 IHABHM CCCOc1cccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)c1 ZINC000012291669 520472001 /nfs/dbraw/zinc/47/20/01/520472001.db2.gz IVOIDBVVNSDLPP-WAOWUJCRSA-N -1 3 436.430 3.888 40 0 IHABHM COc1cc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc(OC)c1OC ZINC000012327761 522369443 /nfs/dbraw/zinc/36/94/43/522369443.db2.gz GRUIVISJJUMWHU-UHFFFAOYSA-N -1 3 436.512 3.650 40 0 IHABHM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)CC1 ZINC000022521753 524732269 /nfs/dbraw/zinc/73/22/69/524732269.db2.gz HLSHHKCIKHQGNC-UHFFFAOYSA-N -1 3 442.368 3.636 40 0 IHABHM Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1 ZINC000408541672 555801523 /nfs/dbraw/zinc/80/15/23/555801523.db2.gz FDDLLZNVVMSIFX-UHFFFAOYSA-N -1 3 433.331 3.989 40 0 IHABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408564078 555917424 /nfs/dbraw/zinc/91/74/24/555917424.db2.gz XMFCURUHWOXWHM-UHFFFAOYSA-N -1 3 428.913 3.965 40 0 IHABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408602266 555971230 /nfs/dbraw/zinc/97/12/30/555971230.db2.gz IMNGMQHDKPJFOD-SNVBAGLBSA-N -1 3 436.839 3.673 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408627289 555998039 /nfs/dbraw/zinc/99/80/39/555998039.db2.gz ZEMPOGHZKWTQAG-JTQLQIEISA-N -1 3 436.839 3.673 40 0 IHABHM Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000008653327 556196914 /nfs/dbraw/zinc/19/69/14/556196914.db2.gz LZDPIGUMKFXQTJ-UHFFFAOYSA-N -1 3 427.873 3.631 40 0 IHABHM Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000008653327 556196916 /nfs/dbraw/zinc/19/69/16/556196916.db2.gz LZDPIGUMKFXQTJ-UHFFFAOYSA-N -1 3 427.873 3.631 40 0 IHABHM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1OCC ZINC000030758209 556505106 /nfs/dbraw/zinc/50/51/06/556505106.db2.gz DTMZXSIVZMZDPN-ZDUSSCGKSA-N -1 3 440.949 4.000 40 0 IHABHM O=C(NC(=S)Nc1ccccc1[O-])c1cc(I)ccc1Cl ZINC000032106986 556529735 /nfs/dbraw/zinc/52/97/35/556529735.db2.gz PATKKMFFIYBCSM-UHFFFAOYSA-N -1 3 432.670 3.777 40 0 IHABHM COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000015922624 556564547 /nfs/dbraw/zinc/56/45/47/556564547.db2.gz SEUBWYNMCMYHPQ-UHFFFAOYSA-N -1 3 442.468 3.974 40 0 IHABHM Cc1ccc(S(=O)(=O)N(CCCc2c(C)[nH]c(=S)[n-]c2=O)c2ccccc2)cc1 ZINC000017014783 556653047 /nfs/dbraw/zinc/65/30/47/556653047.db2.gz KDVRNHMTLKWPAG-UHFFFAOYSA-N -1 3 429.567 3.877 40 0 IHABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101081719 556653989 /nfs/dbraw/zinc/65/39/89/556653989.db2.gz VQCOQBCTHBUVPH-VABKMULXSA-N -1 3 448.450 3.894 40 0 IHABHM O=C(CC1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014739 556691759 /nfs/dbraw/zinc/69/17/59/556691759.db2.gz ZOHNSANSJQUNPI-HXUWFJFHSA-N -1 3 426.561 3.501 40 0 IHABHM CC(C)(C)c1ccc(OCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019084488 556698465 /nfs/dbraw/zinc/69/84/65/556698465.db2.gz XSSPROAPTMYIHX-GOSISDBHSA-N -1 3 432.524 3.937 40 0 IHABHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(Cc3cccs3)CC4)C2)cc1 ZINC000019135207 556705702 /nfs/dbraw/zinc/70/57/02/556705702.db2.gz AIPFSPLTDSUUJE-LJQANCHMSA-N -1 3 448.592 3.718 40 0 IHABHM O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019342692 556740307 /nfs/dbraw/zinc/74/03/07/556740307.db2.gz KLOPZUYQFQALPT-LJQANCHMSA-N -1 3 435.553 3.564 40 0 IHABHM CC(C)c1nc(C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453522 556763890 /nfs/dbraw/zinc/76/38/90/556763890.db2.gz TZPNSTZVVNYZID-LJQANCHMSA-N -1 3 433.487 3.633 40 0 IHABHM COc1cc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc(OC)c1OC ZINC000019549785 556794942 /nfs/dbraw/zinc/79/49/42/556794942.db2.gz VADRTYNBJVGEHA-LJQANCHMSA-N -1 3 436.512 3.997 40 0 IHABHM COc1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cc2c1OCO2 ZINC000019549959 556795026 /nfs/dbraw/zinc/79/50/26/556795026.db2.gz JDCQTJIYCAMNMA-OAHLLOKOSA-N -1 3 425.510 3.615 40 0 IHABHM COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019551062 556795659 /nfs/dbraw/zinc/79/56/59/556795659.db2.gz ISMBSMWBKQHXDQ-SFHVURJKSA-N -1 3 425.510 3.883 40 0 IHABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)[n-]c(=O)c3C2)cc1 ZINC000019555505 556798249 /nfs/dbraw/zinc/79/82/49/556798249.db2.gz BNQWYXJCFUPZJG-WMZHIEFXSA-N -1 3 448.567 3.769 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980650 556890109 /nfs/dbraw/zinc/89/01/09/556890109.db2.gz MPSDCJOHIZIUPJ-IBGZPJMESA-N -1 3 448.441 3.623 40 0 IHABHM CN(C)c1ccc(C(=O)N2CCC(c3nc(C4CC4)[n-]c(=O)c3-c3ccncc3)CC2)cc1 ZINC000072354305 556929916 /nfs/dbraw/zinc/92/99/16/556929916.db2.gz JRNQGKBZKPITRS-UHFFFAOYSA-N -1 3 443.551 3.795 40 0 IHABHM CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000006142238 556959049 /nfs/dbraw/zinc/95/90/49/556959049.db2.gz UVAZWQPBCIEZCG-ZRBLBEILSA-N -1 3 446.434 3.802 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 ZINC000409388861 557100100 /nfs/dbraw/zinc/10/01/00/557100100.db2.gz FRFFJWFGCKPMAX-UHFFFAOYSA-N -1 3 432.542 3.668 40 0 IHABHM CCN1CCN(Cc2ccc(C(=O)[O-])cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183609 557139265 /nfs/dbraw/zinc/13/92/65/557139265.db2.gz MZWYLZZPZYOPCW-DEOSSOPVSA-N -1 3 443.547 3.970 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)Cc4ccsc4)[n-]n3c2=O)C1 ZINC000100234096 557252343 /nfs/dbraw/zinc/25/23/43/557252343.db2.gz VQVJNGCHBZLKIP-HXUWFJFHSA-N -1 3 439.585 3.559 40 0 IHABHM C/C=C/C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083604 557276847 /nfs/dbraw/zinc/27/68/47/557276847.db2.gz UWZQRPQECFXMEE-ROLFPQFPSA-N -1 3 447.326 3.564 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1 ZINC000222699201 557375413 /nfs/dbraw/zinc/37/54/13/557375413.db2.gz MODBQFTUHFPKLQ-UHFFFAOYSA-N -1 3 426.494 3.538 40 0 IHABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 ZINC000223472870 557476080 /nfs/dbraw/zinc/47/60/80/557476080.db2.gz XMSOGJWAVWVBJT-UHFFFAOYSA-N -1 3 431.514 3.664 40 0 IHABHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224532295 557617407 /nfs/dbraw/zinc/61/74/07/557617407.db2.gz KYLHWNGZPLOYSS-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1OC ZINC000224538771 557618223 /nfs/dbraw/zinc/61/82/23/557618223.db2.gz DHKNCEWTQUINLS-UHFFFAOYSA-N -1 3 444.484 3.825 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)COc1ccc(C)c(C)c1 ZINC000224849865 557658600 /nfs/dbraw/zinc/65/86/00/557658600.db2.gz BNGCXYCEKAFGIS-CQSZACIVSA-N -1 3 428.348 3.820 40 0 IHABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c(C)c1 ZINC000225796503 557778517 /nfs/dbraw/zinc/77/85/17/557778517.db2.gz PAVSVSJFWJUEOS-GOSISDBHSA-N -1 3 444.582 3.817 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000225964262 557797500 /nfs/dbraw/zinc/79/75/00/557797500.db2.gz OMUFDMPGMISVAL-UHFFFAOYSA-N -1 3 428.514 3.798 40 0 IHABHM O=C(COc1ccc(Cl)cc1Cl)N1NC(C(F)(F)F)=C[C@]1([O-])C(F)(F)F ZINC000059192183 557818019 /nfs/dbraw/zinc/81/80/19/557818019.db2.gz LDNQPZZPGZFHAA-NSHDSACASA-N -1 3 425.112 3.774 40 0 IHABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257244771 568686182 /nfs/dbraw/zinc/68/61/82/568686182.db2.gz IMROCMINRZZZOO-PGCKSFNISA-N -1 3 439.508 3.747 40 0 IHABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCC2=CCCCC2)[C@@H]1O ZINC000257282655 568703392 /nfs/dbraw/zinc/70/33/92/568703392.db2.gz OUQPSZIQMZRSKJ-UQJUYAFZSA-N -1 3 427.541 3.604 40 0 IHABHM COc1ccc(C([O-])=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000025581091 568736325 /nfs/dbraw/zinc/73/63/25/568736325.db2.gz BHFXHZDHXBBNKM-OPYAIIAOSA-N -1 3 436.430 3.923 40 0 IHABHM Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)N1C(=O)C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1 ZINC000019286308 569226275 /nfs/dbraw/zinc/22/62/75/569226275.db2.gz AIFNHELYYMAJTM-ISCCLHIJSA-N -1 3 449.595 3.745 40 0 IHABHM O=C1C[C@@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002700526 569417352 /nfs/dbraw/zinc/41/73/52/569417352.db2.gz LHGVFDMVGMIFLC-CQSZACIVSA-N -1 3 435.383 3.885 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000022539488 524249047 /nfs/dbraw/zinc/24/90/47/524249047.db2.gz ILKXSSPOTIZXQB-HOTGVXAUSA-N -1 3 438.977 3.818 40 0 IHABHM C[C@H](NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)c1ccccc1 ZINC000408544289 555792096 /nfs/dbraw/zinc/79/20/96/555792096.db2.gz VBEVAYBSDGPWSW-NSHDSACASA-N -1 3 433.331 3.909 40 0 IHABHM C[C@H](NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)c1ccccc1 ZINC000408544289 555792100 /nfs/dbraw/zinc/79/21/00/555792100.db2.gz VBEVAYBSDGPWSW-NSHDSACASA-N -1 3 433.331 3.909 40 0 IHABHM COc1cccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c1 ZINC000408541135 555801089 /nfs/dbraw/zinc/80/10/89/555801089.db2.gz BQWJMLSNVDYAHG-UHFFFAOYSA-N -1 3 449.330 3.690 40 0 IHABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408550486 555864790 /nfs/dbraw/zinc/86/47/90/555864790.db2.gz CVVAPGGYMPFDPZ-UHFFFAOYSA-N -1 3 441.347 3.545 40 0 IHABHM C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408584368 555936871 /nfs/dbraw/zinc/93/68/71/555936871.db2.gz OTNFZHDAKPFXCD-ZIAGYGMSSA-N -1 3 429.369 3.798 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1Cl ZINC000408601763 555970485 /nfs/dbraw/zinc/97/04/85/555970485.db2.gz HDVFDBWUMFMQGZ-AWEZNQCLSA-N -1 3 440.949 3.689 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(C)c2)cc1 ZINC000408677924 556072064 /nfs/dbraw/zinc/07/20/64/556072064.db2.gz SIKIRSDHJIDITQ-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM CC[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c([O-])c(OC)c2)C1=O ZINC000009323949 556281653 /nfs/dbraw/zinc/28/16/53/556281653.db2.gz RSUFHGZXWVBOEV-LQGZHCLWSA-N -1 3 433.267 3.840 40 0 IHABHM Cc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)c1[O-] ZINC000032101419 556529721 /nfs/dbraw/zinc/52/97/21/556529721.db2.gz WQEBLINYUGVAAG-QGZVFWFLSA-N -1 3 443.219 3.964 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)cc1C ZINC000040399345 556641792 /nfs/dbraw/zinc/64/17/92/556641792.db2.gz AABKLWQSTDYLPN-MRXNPFEDSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000040399262 556641832 /nfs/dbraw/zinc/64/18/32/556641832.db2.gz NGKGJZLYQJWIJL-INIZCTEOSA-N -1 3 437.887 3.848 40 0 IHABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000040399353 556642011 /nfs/dbraw/zinc/64/20/11/556642011.db2.gz RNDFLMBHFBXZEK-MRXNPFEDSA-N -1 3 437.887 3.794 40 0 IHABHM COc1cc(N)cc(Br)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000227146622 556685696 /nfs/dbraw/zinc/68/56/96/556685696.db2.gz BALVAZHWMCBAPT-UHFFFAOYSA-N -1 3 436.125 3.603 40 0 IHABHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000018703049 556690522 /nfs/dbraw/zinc/69/05/22/556690522.db2.gz FTGYQJVMNJGJTQ-UHFFFAOYSA-N -1 3 448.957 3.895 40 0 IHABHM C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078071 556695246 /nfs/dbraw/zinc/69/52/46/556695246.db2.gz RBFBTBMFKPYIKB-ZDUSSCGKSA-N -1 3 428.489 3.618 40 0 IHABHM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078057 556695273 /nfs/dbraw/zinc/69/52/73/556695273.db2.gz LNOWFYBXXOLCHB-ZDUSSCGKSA-N -1 3 428.489 3.618 40 0 IHABHM Cn1ncc2c1CCc1sc([N-]C(=O)c3sccc3S(=O)(=O)C(C)(C)C)nc1-2 ZINC000019083274 556697589 /nfs/dbraw/zinc/69/75/89/556697589.db2.gz YIKLIHVIAJPVEY-UHFFFAOYSA-N -1 3 436.584 3.528 40 0 IHABHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2ccncc2)C3)cc1 ZINC000019135416 556706066 /nfs/dbraw/zinc/70/60/66/556706066.db2.gz JMLHSTLAPJFLCD-HSZRJFAPSA-N -1 3 443.551 3.811 40 0 IHABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C4CCCCC4)[n-]c(=O)c3C2)s1 ZINC000019217027 556712450 /nfs/dbraw/zinc/71/24/50/556712450.db2.gz LBGHUHADMHABPQ-IBGZPJMESA-N -1 3 426.586 3.808 40 0 IHABHM Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2ccncc2)C3)c1 ZINC000019234417 556718505 /nfs/dbraw/zinc/71/85/05/556718505.db2.gz IOTBFLJYXWBAJO-QHCPKHFHSA-N -1 3 443.551 3.811 40 0 IHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2cccc(F)c2)cc(=O)[n-]1 ZINC000019240952 556726832 /nfs/dbraw/zinc/72/68/32/556726832.db2.gz IWWPGLIWRRKWKN-LHSJRXKWSA-N -1 3 434.471 3.566 40 0 IHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019240948 556726945 /nfs/dbraw/zinc/72/69/45/556726945.db2.gz SPOMRHLZUJQLJU-LHSJRXKWSA-N -1 3 434.471 3.566 40 0 IHABHM COC(=O)c1ccc(NC(=O)CCSc2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000054363725 556730794 /nfs/dbraw/zinc/73/07/94/556730794.db2.gz CVENRHGOHKNVHC-UHFFFAOYSA-N -1 3 443.550 3.771 40 0 IHABHM O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019369439 556747145 /nfs/dbraw/zinc/74/71/45/556747145.db2.gz OQWNOSWVJIQCPO-QFIPXVFZSA-N -1 3 428.467 3.614 40 0 IHABHM CC(C)c1nc(C[C@H](NC(=O)c2ccc3c(c2)ncn3C)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453524 556763877 /nfs/dbraw/zinc/76/38/77/556763877.db2.gz TZPNSTZVVNYZID-IBGZPJMESA-N -1 3 433.487 3.633 40 0 IHABHM CC(C)c1ncc(CN[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cn1 ZINC000019454134 556764673 /nfs/dbraw/zinc/76/46/73/556764673.db2.gz ZGQRDBDFJLWDSY-QFIPXVFZSA-N -1 3 426.524 3.819 40 0 IHABHM CCCn1ncc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019525933 556783768 /nfs/dbraw/zinc/78/37/68/556783768.db2.gz LFDJHMNJXANSSU-OAQYLSRUSA-N -1 3 442.535 3.991 40 0 IHABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CC=CCC4)[n-]c(=O)c3C2)cc1 ZINC000019555502 556798418 /nfs/dbraw/zinc/79/84/18/556798418.db2.gz BNQWYXJCFUPZJG-CVDCTZTESA-N -1 3 448.567 3.769 40 0 IHABHM COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1OC ZINC000019560476 556802111 /nfs/dbraw/zinc/80/21/11/556802111.db2.gz XJXHNTHWWQLJQG-GOSISDBHSA-N -1 3 439.537 3.812 40 0 IHABHM COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019568915 556808950 /nfs/dbraw/zinc/80/89/50/556808950.db2.gz STGMLEPJVNJHHO-NRFANRHFSA-N -1 3 444.466 3.693 40 0 IHABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335627 556908627 /nfs/dbraw/zinc/90/86/27/556908627.db2.gz IDHLNNQZULZDRQ-SFHVURJKSA-N -1 3 435.547 3.966 40 0 IHABHM Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072379946 556956978 /nfs/dbraw/zinc/95/69/78/556956978.db2.gz RXCKKOIBAKDXJI-OAHLLOKOSA-N -1 3 431.475 3.959 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000020009502 556959833 /nfs/dbraw/zinc/95/98/33/556959833.db2.gz YMRROOBQIDMORW-LJQANCHMSA-N -1 3 444.940 3.877 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000020009500 556959933 /nfs/dbraw/zinc/95/99/33/556959933.db2.gz YMRROOBQIDMORW-IBGZPJMESA-N -1 3 444.940 3.877 40 0 IHABHM COC(=O)c1c2c(sc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl)CCCC2 ZINC000020108031 556983835 /nfs/dbraw/zinc/98/38/35/556983835.db2.gz SDBUDCIUYVHFNO-UHFFFAOYSA-N -1 3 442.946 3.691 40 0 IHABHM Cc1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@@H]1CCCO1 ZINC000257240757 556986692 /nfs/dbraw/zinc/98/66/92/556986692.db2.gz HVBOCUMJMIUQOW-UTKZUKDTSA-N -1 3 439.604 3.574 40 0 IHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc(Cl)c1[O-] ZINC000409202588 557001752 /nfs/dbraw/zinc/00/17/52/557001752.db2.gz RTLIALZBYYOOJS-KPENOIPVSA-N -1 3 438.933 3.882 40 0 IHABHM COc1ccc(Cl)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409390074 557101067 /nfs/dbraw/zinc/10/10/67/557101067.db2.gz IXTDZDOIPZNZOT-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM O=C([O-])c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102740769 557132454 /nfs/dbraw/zinc/13/24/54/557132454.db2.gz VARXRXVMXBPTGE-PCCBWWKXSA-N -1 3 432.407 3.575 40 0 IHABHM Cc1cc(C(=O)Nc2ccc(I)cc2C)ccc1[N-]S(C)(=O)=O ZINC000010314258 557215697 /nfs/dbraw/zinc/21/56/97/557215697.db2.gz WXFPPYPYRVRVKU-UHFFFAOYSA-N -1 3 444.294 3.532 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4ccccc4F)[n-]n3c2=O)C1 ZINC000100234022 557252049 /nfs/dbraw/zinc/25/20/49/557252049.db2.gz WGIPIMFCZCITHF-OAQYLSRUSA-N -1 3 437.519 3.708 40 0 IHABHM Cn1c(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nnc1SCc1ccccc1 ZINC000013565263 557342322 /nfs/dbraw/zinc/34/23/22/557342322.db2.gz JJBIUTPPPFEAIZ-UHFFFAOYSA-N -1 3 442.488 3.605 40 0 IHABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000222685264 557374085 /nfs/dbraw/zinc/37/40/85/557374085.db2.gz ODDXRNAJUHTONG-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713111 557377567 /nfs/dbraw/zinc/37/75/67/557377567.db2.gz CWGHSECSRYWLPJ-UHFFFAOYSA-N -1 3 446.475 3.803 40 0 IHABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000223284942 557455746 /nfs/dbraw/zinc/45/57/46/557455746.db2.gz KXFYHSXYZKWNCL-RTWAWAEBSA-N -1 3 436.537 3.574 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1Br ZINC000223647134 557496660 /nfs/dbraw/zinc/49/66/60/557496660.db2.gz FJYNLKAYVQLLTK-UHFFFAOYSA-N -1 3 439.331 3.694 40 0 IHABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 ZINC000224547613 557620490 /nfs/dbraw/zinc/62/04/90/557620490.db2.gz MZXJCRMYKOTJAJ-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM COc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc2)c1 ZINC000224548667 557620921 /nfs/dbraw/zinc/62/09/21/557620921.db2.gz RCKDUEIRSHMECM-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM COc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(C)cc3)cc2)c1 ZINC000224548667 557620922 /nfs/dbraw/zinc/62/09/22/557620922.db2.gz RCKDUEIRSHMECM-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000225287700 557709227 /nfs/dbraw/zinc/70/92/27/557709227.db2.gz GDEOAJHHJDPHOG-GFCCVEGCSA-N -1 3 436.946 3.792 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(Cl)c2)cc1 ZINC000226080557 557804746 /nfs/dbraw/zinc/80/47/46/557804746.db2.gz AADBLZHOGCNOCL-UHFFFAOYSA-N -1 3 440.949 3.691 40 0 IHABHM CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1 ZINC000019532996 568613138 /nfs/dbraw/zinc/61/31/38/568613138.db2.gz KVPTWYSLHYPCAG-QFIPXVFZSA-N -1 3 438.572 3.644 40 0 IHABHM COc1ccccc1-c1ccccc1CN1CCC[C@@H](Cc2[n-]ncc2S(C)(=O)=O)C1 ZINC000257213185 568671448 /nfs/dbraw/zinc/67/14/48/568671448.db2.gz CGMHEOCGOJKPOU-SFHVURJKSA-N -1 3 439.581 3.944 40 0 IHABHM COc1ccccc1-c1ccccc1CN1CCC[C@@H](Cc2n[n-]cc2S(C)(=O)=O)C1 ZINC000257213185 568671449 /nfs/dbraw/zinc/67/14/49/568671449.db2.gz CGMHEOCGOJKPOU-SFHVURJKSA-N -1 3 439.581 3.944 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000107760472 569251166 /nfs/dbraw/zinc/25/11/66/569251166.db2.gz YSXHJOFHCIVVIM-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM COc1ccccc1N1CCN(c2nc(CSc3nc4ccccc4o3)cc(=O)[n-]2)CC1 ZINC000013611401 132351846 /nfs/dbraw/zinc/35/18/46/132351846.db2.gz LVRIYRMOHZCIEF-UHFFFAOYSA-N -1 3 449.536 3.539 40 0 IHABHM CCOC(=O)Cc1cc(=O)[n-]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000020634913 520904333 /nfs/dbraw/zinc/90/43/33/520904333.db2.gz NIPQGLNJTFVEEI-UHFFFAOYSA-N -1 3 435.871 3.883 40 0 IHABHM CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012256494 521181389 /nfs/dbraw/zinc/18/13/89/521181389.db2.gz CUBBFCPYKSBKDW-QGZVFWFLSA-N -1 3 448.523 3.816 40 0 IHABHM C[C@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408545525 555796729 /nfs/dbraw/zinc/79/67/29/555796729.db2.gz UDQLLWLYTMWDNN-GXFFZTMASA-N -1 3 425.352 3.727 40 0 IHABHM C[C@H]1CCCC[C@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408545525 555796730 /nfs/dbraw/zinc/79/67/30/555796730.db2.gz UDQLLWLYTMWDNN-GXFFZTMASA-N -1 3 425.352 3.727 40 0 IHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408675332 556069303 /nfs/dbraw/zinc/06/93/03/556069303.db2.gz HQBOSUAFWSURHU-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)[N-]c3ccccc3F)c1)C2=O ZINC000408721513 556147246 /nfs/dbraw/zinc/14/72/46/556147246.db2.gz IZAMPIZNYNXYFU-KSFYIVLOSA-N -1 3 430.501 3.942 40 0 IHABHM O=C(c1cccc([O-])c1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101260 556529325 /nfs/dbraw/zinc/52/93/25/556529325.db2.gz ZMNSNFJIQWLWKB-MRXNPFEDSA-N -1 3 429.192 3.656 40 0 IHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293517 556598576 /nfs/dbraw/zinc/59/85/76/556598576.db2.gz DHVICHJWSQCVBS-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(Cl)c2)cc1 ZINC000038556562 556614619 /nfs/dbraw/zinc/61/46/19/556614619.db2.gz YBZZAISGCTWOBZ-UHFFFAOYSA-N -1 3 438.933 3.541 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828380 556620421 /nfs/dbraw/zinc/62/04/21/556620421.db2.gz MFQIXWXKSRYDIE-MPGHIAIKSA-N -1 3 437.544 3.725 40 0 IHABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399267 556641773 /nfs/dbraw/zinc/64/17/73/556641773.db2.gz MHJURHMVZXVSBH-OAHLLOKOSA-N -1 3 437.887 3.794 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399673 556642325 /nfs/dbraw/zinc/64/23/25/556642325.db2.gz GOSPGSYUOXQIJL-QGZVFWFLSA-N -1 3 435.459 3.841 40 0 IHABHM C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078049 556695104 /nfs/dbraw/zinc/69/51/04/556695104.db2.gz XGIOAQUUOCLEHE-ZDUSSCGKSA-N -1 3 428.489 3.618 40 0 IHABHM O=C(CCCOc1cccc(F)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019294262 556734239 /nfs/dbraw/zinc/73/42/39/556734239.db2.gz DASANINGYJWXNG-UHFFFAOYSA-N -1 3 442.516 3.598 40 0 IHABHM O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019337603 556738857 /nfs/dbraw/zinc/73/88/57/556738857.db2.gz QEVICNYMTBJSLH-HXUWFJFHSA-N -1 3 435.553 3.564 40 0 IHABHM O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349412 556744356 /nfs/dbraw/zinc/74/43/56/556744356.db2.gz VVNZOKBFULSFLM-QFIPXVFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349400 556744458 /nfs/dbraw/zinc/74/44/58/556744458.db2.gz JVZMCBPPENKSAG-QFIPXVFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019368845 556746830 /nfs/dbraw/zinc/74/68/30/556746830.db2.gz GARDFIQZMWPFMG-NRFANRHFSA-N -1 3 434.565 3.757 40 0 IHABHM O=C(CCCc1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019405095 556754706 /nfs/dbraw/zinc/75/47/06/556754706.db2.gz UUOYGAFCMSGYQL-QHCPKHFHSA-N -1 3 449.599 3.542 40 0 IHABHM CC(C)c1nc(C[C@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453536 556763885 /nfs/dbraw/zinc/76/38/85/556763885.db2.gz YCLCXJWVXWFDBP-IBGZPJMESA-N -1 3 437.519 3.834 40 0 IHABHM CCOc1ccc(CCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019533094 556793043 /nfs/dbraw/zinc/79/30/43/556793043.db2.gz WZTHHYOZMWYXGM-UHFFFAOYSA-N -1 3 438.553 3.631 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000059816753 556804733 /nfs/dbraw/zinc/80/47/33/556804733.db2.gz MFQIXWXKSRYDIE-RLFYNMQTSA-N -1 3 437.544 3.725 40 0 IHABHM CSCC[C@@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019574015 556814276 /nfs/dbraw/zinc/81/42/76/556814276.db2.gz PINNZJODQIABQM-QGZVFWFLSA-N -1 3 440.594 3.996 40 0 IHABHM CSCC[C@H](NC(=O)c1c(C)n(C)c2ccccc21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019581770 556819832 /nfs/dbraw/zinc/81/98/32/556819832.db2.gz RAJIVAHMJYPPJR-SFHVURJKSA-N -1 3 447.564 3.856 40 0 IHABHM C=Cn1cc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019584171 556821659 /nfs/dbraw/zinc/82/16/59/556821659.db2.gz LTIWSMMCJHLMDI-SFHVURJKSA-N -1 3 426.492 3.681 40 0 IHABHM COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000068935484 556850229 /nfs/dbraw/zinc/85/02/29/556850229.db2.gz BDMWSTRAVXIFSI-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccn2Cc2ccccc2F)C3)C1 ZINC000072335626 556908603 /nfs/dbraw/zinc/90/86/03/556908603.db2.gz IDHLNNQZULZDRQ-GOSISDBHSA-N -1 3 435.547 3.966 40 0 IHABHM Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)N1C(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 ZINC000072373138 556945480 /nfs/dbraw/zinc/94/54/80/556945480.db2.gz AIFNHELYYMAJTM-FYQCMVGJSA-N -1 3 449.595 3.745 40 0 IHABHM CCOC(=O)c1cc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)ccc1Cl ZINC000019934433 556950462 /nfs/dbraw/zinc/95/04/62/556950462.db2.gz YRZQTMPNWCPYIG-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM CCc1nnc([N-]c2cccc([C@H]3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1 ZINC000072375958 556953618 /nfs/dbraw/zinc/95/36/18/556953618.db2.gz YKVVYUPGQCDELN-KRWDZBQOSA-N -1 3 428.606 3.677 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 ZINC000072376323 556954556 /nfs/dbraw/zinc/95/45/56/556954556.db2.gz HXXPQFCBBQKARV-KRWDZBQOSA-N -1 3 444.948 3.806 40 0 IHABHM CCN(CC)C(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2cc(Br)ccc21 ZINC000409133958 556968390 /nfs/dbraw/zinc/96/83/90/556968390.db2.gz REFFVPOCFDSQAX-CHHVJCJISA-N -1 3 436.331 3.596 40 0 IHABHM CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(Cc2csc(C)c2)CC3)CC1 ZINC000072398972 556971241 /nfs/dbraw/zinc/97/12/41/556971241.db2.gz VGZYHXHCFWCKNK-UHFFFAOYSA-N -1 3 442.629 3.840 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000020062745 556976816 /nfs/dbraw/zinc/97/68/16/556976816.db2.gz WCKOIUBCZABDCS-UHFFFAOYSA-N -1 3 429.542 3.717 40 0 IHABHM Cc1cc(Br)c(NC(=O)C(=S)[N-]Cc2cccnc2)c(Br)c1 ZINC000020344341 557008734 /nfs/dbraw/zinc/00/87/34/557008734.db2.gz KVLRMQYDUUGURL-UHFFFAOYSA-N -1 3 443.164 3.971 40 0 IHABHM O=C(OC1=C([O-])N(c2ccc(Cl)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409291974 557049693 /nfs/dbraw/zinc/04/96/93/557049693.db2.gz CLZAYYJWEJSHMH-BGYRXZFFSA-N -1 3 449.846 3.664 40 0 IHABHM O=C(OC1=C([O-])N(c2ccc(Cl)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409291974 557049698 /nfs/dbraw/zinc/04/96/98/557049698.db2.gz CLZAYYJWEJSHMH-BGYRXZFFSA-N -1 3 449.846 3.664 40 0 IHABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000409390759 557095652 /nfs/dbraw/zinc/09/56/52/557095652.db2.gz LIUQWOCMKPAOKT-INIZCTEOSA-N -1 3 428.485 3.883 40 0 IHABHM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000409392617 557097191 /nfs/dbraw/zinc/09/71/91/557097191.db2.gz SDXUJSJGIWXSOY-UHFFFAOYSA-N -1 3 428.485 3.664 40 0 IHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102734077 557131718 /nfs/dbraw/zinc/13/17/18/557131718.db2.gz VARQVJBNNLKMKN-XPWALMASSA-N -1 3 448.450 3.894 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4ccccc4F)[n-]n3c2=O)C1 ZINC000100234019 557252081 /nfs/dbraw/zinc/25/20/81/557252081.db2.gz WGIPIMFCZCITHF-NRFANRHFSA-N -1 3 437.519 3.708 40 0 IHABHM O=C(C1CCC1)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000100243252 557255757 /nfs/dbraw/zinc/25/57/57/557255757.db2.gz PHCWJCIRHWBPST-QHCPKHFHSA-N -1 3 445.567 3.847 40 0 IHABHM CCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000013083184 557276544 /nfs/dbraw/zinc/27/65/44/557276544.db2.gz BLMZHAXJFWJSCW-UHFFFAOYSA-N -1 3 428.924 3.525 40 0 IHABHM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=O)[C@H](O)[C@@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C ZINC000101224484 557280851 /nfs/dbraw/zinc/28/08/51/557280851.db2.gz QNSJPNOLAYAJEG-KQACMCHDSA-N -1 3 438.520 3.975 40 0 IHABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000222713848 557378103 /nfs/dbraw/zinc/37/81/03/557378103.db2.gz FUYZPDJDHFLTLO-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014291505 557434524 /nfs/dbraw/zinc/43/45/24/557434524.db2.gz WUFJBQSRPMGKJQ-UHFFFAOYSA-N -1 3 442.990 3.847 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)cc1 ZINC000224062037 557553701 /nfs/dbraw/zinc/55/37/01/557553701.db2.gz CLDDSSWYYHJSLZ-UHFFFAOYSA-N -1 3 428.485 3.874 40 0 IHABHM COc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)c1 ZINC000224546839 557620503 /nfs/dbraw/zinc/62/05/03/557620503.db2.gz HZEJMKIKILMLMC-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM COc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c1 ZINC000224546839 557620504 /nfs/dbraw/zinc/62/05/04/557620504.db2.gz HZEJMKIKILMLMC-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC3CCN(C)CC3)cc1)CCCC2 ZINC000224709831 557643190 /nfs/dbraw/zinc/64/31/90/557643190.db2.gz HHBWVGHUBDWBLD-UHFFFAOYSA-N -1 3 430.570 3.848 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)COc1ccc(C)c(C)c1 ZINC000224849829 557658683 /nfs/dbraw/zinc/65/86/83/557658683.db2.gz BNGCXYCEKAFGIS-AWEZNQCLSA-N -1 3 428.348 3.820 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccccc1C ZINC000224853152 557659062 /nfs/dbraw/zinc/65/90/62/557659062.db2.gz ZTADGQKNECEPAY-QGZVFWFLSA-N -1 3 430.555 3.837 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O ZINC000224963776 557672035 /nfs/dbraw/zinc/67/20/35/557672035.db2.gz DKJNVAAILKSMRH-UHFFFAOYSA-N -1 3 429.542 3.613 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccccc1C ZINC000225432678 557722377 /nfs/dbraw/zinc/72/23/77/557722377.db2.gz RSLCXGAFOHOUFE-QGZVFWFLSA-N -1 3 430.555 3.837 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1 ZINC000225763621 557774235 /nfs/dbraw/zinc/77/42/35/557774235.db2.gz ZWODJIGLVXXJNS-QGZVFWFLSA-N -1 3 430.555 3.837 40 0 IHABHM CC(=O)NCCn1cc(NC(=O)c2ccc3c(c2[O-])[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)cn1 ZINC000257228666 568678540 /nfs/dbraw/zinc/67/85/40/568678540.db2.gz FUUJJIPFZNKKBI-NIKGAXFTSA-N -1 3 440.544 3.668 40 0 IHABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257244772 568686203 /nfs/dbraw/zinc/68/62/03/568686203.db2.gz IMROCMINRZZZOO-ZVEOBBNSSA-N -1 3 439.508 3.747 40 0 IHABHM CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257249075 568688135 /nfs/dbraw/zinc/68/81/35/568688135.db2.gz JGRJYGPOKBKHJX-NRFANRHFSA-N -1 3 448.527 3.582 40 0 IHABHM Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896679 568897608 /nfs/dbraw/zinc/89/76/08/568897608.db2.gz FNSCFDNWEFGTTE-UHFFFAOYSA-N -1 3 448.504 3.843 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc1 ZINC000021112819 569241489 /nfs/dbraw/zinc/24/14/89/569241489.db2.gz PELSWPITEJICRQ-UHFFFAOYSA-N -1 3 446.916 3.945 40 0 IHABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000033431775 569244115 /nfs/dbraw/zinc/24/41/15/569244115.db2.gz YLIXTPUPUUEONA-UHFFFAOYSA-N -1 3 430.457 3.653 40 0 IHABHM COc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1 ZINC000038179088 569248746 /nfs/dbraw/zinc/24/87/46/569248746.db2.gz NQNJECQEJJFMFV-UHFFFAOYSA-N -1 3 435.303 3.679 40 0 IHABHM COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000038179088 569248747 /nfs/dbraw/zinc/24/87/47/569248747.db2.gz NQNJECQEJJFMFV-UHFFFAOYSA-N -1 3 435.303 3.679 40 0 IHABHM Cc1cnc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3csc(C)n3)CC2)s1 ZINC000585290963 569584775 /nfs/dbraw/zinc/58/47/75/569584775.db2.gz HSUJFAVOJWNNCY-ONEGZZNKSA-N -1 3 426.571 4.169 40 0 IHABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000036007002 521039632 /nfs/dbraw/zinc/03/96/32/521039632.db2.gz RIWJAXKQAMZFDW-ZLNRFVROSA-N -1 3 430.460 3.842 40 0 IHABHM CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012241600 522899045 /nfs/dbraw/zinc/89/90/45/522899045.db2.gz HRIHLVLNRZWCOW-FQEVSTJZSA-N -1 3 436.487 3.947 40 0 IHABHM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012241596 523062896 /nfs/dbraw/zinc/06/28/96/523062896.db2.gz HRIHLVLNRZWCOW-HXUWFJFHSA-N -1 3 436.487 3.947 40 0 IHABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1 ZINC000022246370 526448410 /nfs/dbraw/zinc/44/84/10/526448410.db2.gz PTEVMBHQVQVUKY-GOSISDBHSA-N -1 3 441.380 3.896 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(Cl)c2)cc1 ZINC000408593314 555954516 /nfs/dbraw/zinc/95/45/16/555954516.db2.gz NHEOHQMNRQQLTO-UHFFFAOYSA-N -1 3 445.928 3.539 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1Cl ZINC000408601764 555970501 /nfs/dbraw/zinc/97/05/01/555970501.db2.gz HDVFDBWUMFMQGZ-CQSZACIVSA-N -1 3 440.949 3.689 40 0 IHABHM COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H]3COC(=O)[C@@H]32)cc(Br)c1[O-] ZINC000008655141 556196820 /nfs/dbraw/zinc/19/68/20/556196820.db2.gz YHYWCWAKWGMRSK-RQUSPXKASA-N -1 3 449.297 3.658 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2cc(OC)c(OC)c(OC)c2)c(Cl)c1Cl ZINC000013673572 556553357 /nfs/dbraw/zinc/55/33/57/556553357.db2.gz CUTOAUNCVYLXSD-UHFFFAOYSA-N -1 3 436.313 3.506 40 0 IHABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016291004 556597674 /nfs/dbraw/zinc/59/76/74/556597674.db2.gz CFODVMNOHCDXSQ-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016693529 556627975 /nfs/dbraw/zinc/62/79/75/556627975.db2.gz RIRJEVTYGKNYIO-UHFFFAOYSA-N -1 3 426.494 3.904 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085301 556699093 /nfs/dbraw/zinc/69/90/93/556699093.db2.gz BQASSZZHMSHYAG-QUCCMNQESA-N -1 3 440.588 3.607 40 0 IHABHM Cc1ccc2c(cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)n2C)c1 ZINC000019221206 556715352 /nfs/dbraw/zinc/71/53/52/556715352.db2.gz BBVDPKRNXYXNIK-NRFANRHFSA-N -1 3 433.556 3.726 40 0 IHABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019333335 556737949 /nfs/dbraw/zinc/73/79/49/556737949.db2.gz PZAWRDIHDHJBMD-QFIPXVFZSA-N -1 3 438.547 3.918 40 0 IHABHM O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343564 556741461 /nfs/dbraw/zinc/74/14/61/556741461.db2.gz USBMAXDGRCVXMD-FQEVSTJZSA-N -1 3 426.586 3.634 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c(C)c1 ZINC000000916472 556747379 /nfs/dbraw/zinc/74/73/79/556747379.db2.gz PKTSOFVQKGXPJT-JOCHJYFZSA-N -1 3 438.505 3.883 40 0 IHABHM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019370241 556747733 /nfs/dbraw/zinc/74/77/33/556747733.db2.gz MKFONCWCVJHGJC-JOCHJYFZSA-N -1 3 448.592 3.686 40 0 IHABHM C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 ZINC000019459020 556766467 /nfs/dbraw/zinc/76/64/67/556766467.db2.gz DSVBFHRNFXXDHL-AZUAARDMSA-N -1 3 434.584 3.580 40 0 IHABHM CC1CCN(CC(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccc(F)cc2)CC1 ZINC000019496880 556769143 /nfs/dbraw/zinc/76/91/43/556769143.db2.gz VZFCHFPMDJGMKX-JOCHJYFZSA-N -1 3 449.530 3.515 40 0 IHABHM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019499368 556771384 /nfs/dbraw/zinc/77/13/84/556771384.db2.gz PPRDYBSMLWSVFK-QGZVFWFLSA-N -1 3 442.516 3.596 40 0 IHABHM CCn1cc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019524512 556781793 /nfs/dbraw/zinc/78/17/93/556781793.db2.gz PHCDGRBZHQSPBF-FQEVSTJZSA-N -1 3 428.508 3.601 40 0 IHABHM COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c(OC)c1 ZINC000019551942 556795959 /nfs/dbraw/zinc/79/59/59/556795959.db2.gz QRSBBOVBSMUHCZ-SFHVURJKSA-N -1 3 425.510 3.883 40 0 IHABHM Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)s1 ZINC000019560233 556801806 /nfs/dbraw/zinc/80/18/06/556801806.db2.gz VIAMUGZSYRXMNE-IBGZPJMESA-N -1 3 431.521 3.619 40 0 IHABHM CSCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573976 556814021 /nfs/dbraw/zinc/81/40/21/556814021.db2.gz OSBORVNANBENDF-HXUWFJFHSA-N -1 3 434.565 3.935 40 0 IHABHM CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cc1 ZINC000019584791 556822118 /nfs/dbraw/zinc/82/21/18/556822118.db2.gz IUGMXDRVANKUMY-HSZRJFAPSA-N -1 3 449.599 3.916 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000071980676 556889964 /nfs/dbraw/zinc/88/99/64/556889964.db2.gz ATZVWYFUYGOVHJ-IBGZPJMESA-N -1 3 448.441 3.623 40 0 IHABHM CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000006142237 556958480 /nfs/dbraw/zinc/95/84/80/556958480.db2.gz UVAZWQPBCIEZCG-VABKMULXSA-N -1 3 446.434 3.802 40 0 IHABHM CC(C)(C(=O)N1CCC(Nc2nc(C(F)(F)F)cc(=O)[n-]2)CC1)c1ccc(Cl)cc1 ZINC000072389405 556959644 /nfs/dbraw/zinc/95/96/44/556959644.db2.gz ONLIXDFGTXBFKB-UHFFFAOYSA-N -1 3 442.869 3.823 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(F)c(F)c1F ZINC000020019949 556964082 /nfs/dbraw/zinc/96/40/82/556964082.db2.gz BHQBNFQFSHWKOL-UHFFFAOYSA-N -1 3 436.411 3.922 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000020019873 556964117 /nfs/dbraw/zinc/96/41/17/556964117.db2.gz NHKCXXNWYDFMDK-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM Cc1ccsc1CN1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C(=O)C(C)C)C3 ZINC000100234381 557252790 /nfs/dbraw/zinc/25/27/90/557252790.db2.gz RAOGFWALZSBRDK-IBGZPJMESA-N -1 3 439.585 3.683 40 0 IHABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)CC1 ZINC000100237359 557253879 /nfs/dbraw/zinc/25/38/79/557253879.db2.gz ZQGJHGDYSLBEHP-KPLVRAHFSA-N -1 3 442.604 3.742 40 0 IHABHM CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)c(C)c4)[n-]n3c(=O)c2C1 ZINC000100243152 557255304 /nfs/dbraw/zinc/25/53/04/557255304.db2.gz IHGRRJHISFAHBN-HSZRJFAPSA-N -1 3 433.556 3.684 40 0 IHABHM C/C=C/C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083606 557276873 /nfs/dbraw/zinc/27/68/73/557276873.db2.gz UWZQRPQECFXMEE-PWFBRDGFSA-N -1 3 447.326 3.564 40 0 IHABHM CCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000013083564 557276909 /nfs/dbraw/zinc/27/69/09/557276909.db2.gz HCMZQDRZRNUDFB-HNNXBMFYSA-N -1 3 428.924 3.525 40 0 IHABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000102914508 557309814 /nfs/dbraw/zinc/30/98/14/557309814.db2.gz JYKHCZXIQIKLBM-ACRUOGEOSA-N -1 3 448.500 3.894 40 0 IHABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000222685444 557374172 /nfs/dbraw/zinc/37/41/72/557374172.db2.gz OTENSHDEGAKMON-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222716905 557378412 /nfs/dbraw/zinc/37/84/12/557378412.db2.gz AJEFVXVCICLKEZ-UHFFFAOYSA-N -1 3 444.484 3.677 40 0 IHABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000222717079 557378887 /nfs/dbraw/zinc/37/88/87/557378887.db2.gz HXJUQWFCWJUMPJ-UHFFFAOYSA-N -1 3 444.484 3.677 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)cc1 ZINC000222801893 557388222 /nfs/dbraw/zinc/38/82/22/557388222.db2.gz HSHLPKGPGVDUCD-KRWDZBQOSA-N -1 3 430.555 3.837 40 0 IHABHM CN(c1ccccc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223253675 557451257 /nfs/dbraw/zinc/45/12/57/557451257.db2.gz KDOAPWDTBHRORS-UHFFFAOYSA-N -1 3 443.337 3.922 40 0 IHABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000223284884 557455758 /nfs/dbraw/zinc/45/57/58/557455758.db2.gz KXFYHSXYZKWNCL-SFTDATJTSA-N -1 3 436.537 3.574 40 0 IHABHM O=C(c1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000015987576 557468680 /nfs/dbraw/zinc/46/86/80/557468680.db2.gz LDCRKTYWCSXTSB-UHFFFAOYSA-N -1 3 448.914 3.648 40 0 IHABHM CCOc1ccccc1CCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000223529266 557482577 /nfs/dbraw/zinc/48/25/77/557482577.db2.gz BKBAZEBAXQEJOL-UHFFFAOYSA-N -1 3 428.348 3.768 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1Br ZINC000223647210 557496729 /nfs/dbraw/zinc/49/67/29/557496729.db2.gz SJCJAHLHSCLEGC-UHFFFAOYSA-N -1 3 439.331 3.694 40 0 IHABHM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)c1 ZINC000224549707 557620936 /nfs/dbraw/zinc/62/09/36/557620936.db2.gz NPPDONLYPXZOIS-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1OC ZINC000225044840 557682353 /nfs/dbraw/zinc/68/23/53/557682353.db2.gz PFASERVARXMJCW-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)c1 ZINC000225379520 557716227 /nfs/dbraw/zinc/71/62/27/557716227.db2.gz SMXVKXWSBUKQEG-KRWDZBQOSA-N -1 3 444.582 3.899 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1ccco1 ZINC000013566400 568905153 /nfs/dbraw/zinc/90/51/53/568905153.db2.gz KZTAFDBZSADYCQ-UHFFFAOYSA-N -1 3 438.864 3.568 40 0 IHABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)C2ON1c1ccccc1 ZINC000009345670 569295723 /nfs/dbraw/zinc/29/57/23/569295723.db2.gz JRCAJBKWMVHQDJ-FKBYEOEOSA-N -1 3 428.444 3.744 40 0 IHABHM COc1cc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)cc(OC)c1OC ZINC000012234351 522369132 /nfs/dbraw/zinc/36/91/32/522369132.db2.gz XBSHZNHYSPMXSN-UHFFFAOYSA-N -1 3 436.512 3.650 40 0 IHABHM COc1cc(CN2CCC(c3nc(-c4ccncc4)cc(=O)[n-]3)CC2)cc(OC)c1OC ZINC000012327766 522370997 /nfs/dbraw/zinc/37/09/97/522370997.db2.gz PXIVEJPUQNGUTE-UHFFFAOYSA-N -1 3 436.512 3.650 40 0 IHABHM CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012241590 522885994 /nfs/dbraw/zinc/88/59/94/522885994.db2.gz OEYMSKFHSOWSAW-QFIPXVFZSA-N -1 3 448.523 3.816 40 0 IHABHM Cc1cccc(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)c1C ZINC000022720388 524605142 /nfs/dbraw/zinc/60/51/42/524605142.db2.gz ACVXWGBMWMTHFA-UHFFFAOYSA-N -1 3 440.916 3.893 40 0 IHABHM COc1cc(C2=N/C(=C/c3cc(Br)ccc3[O-])C(=O)O2)cc(OC)c1OC ZINC000001735670 555711180 /nfs/dbraw/zinc/71/11/80/555711180.db2.gz UGAHYGJQYLNTFR-NTUHNPAUSA-N -1 3 434.242 3.525 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 ZINC000035085011 555727204 /nfs/dbraw/zinc/72/72/04/555727204.db2.gz JPYGBQXJNXUKAA-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408550561 555866377 /nfs/dbraw/zinc/86/63/77/555866377.db2.gz DJUMRZYQUYDMEF-ZDUSSCGKSA-N -1 3 430.448 3.800 40 0 IHABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408550560 555866416 /nfs/dbraw/zinc/86/64/16/555866416.db2.gz DJUMRZYQUYDMEF-CYBMUJFWSA-N -1 3 430.448 3.800 40 0 IHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(C)=O ZINC000408558668 555898115 /nfs/dbraw/zinc/89/81/15/555898115.db2.gz JYNQQUKDGIGKFX-UHFFFAOYSA-N -1 3 431.283 3.746 40 0 IHABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408598347 555956780 /nfs/dbraw/zinc/95/67/80/555956780.db2.gz ZFVIZMIPYQMLGR-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408600074 555958633 /nfs/dbraw/zinc/95/86/33/555958633.db2.gz SYISLSWFFFXAMD-KRWDZBQOSA-N -1 3 438.553 3.644 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000408607694 555968219 /nfs/dbraw/zinc/96/82/19/555968219.db2.gz NRGPKQROVATEDI-VIFPVBQESA-N -1 3 437.732 3.961 40 0 IHABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408602263 555971302 /nfs/dbraw/zinc/97/13/02/555971302.db2.gz IMNGMQHDKPJFOD-JTQLQIEISA-N -1 3 436.839 3.673 40 0 IHABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408610049 555980034 /nfs/dbraw/zinc/98/00/34/555980034.db2.gz URWCNXABLKQPOX-CYBMUJFWSA-N -1 3 430.448 3.798 40 0 IHABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c1 ZINC000408675856 556068401 /nfs/dbraw/zinc/06/84/01/556068401.db2.gz LJAQTDMXUGNMSN-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM Cc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)c1[O-] ZINC000032101289 556529378 /nfs/dbraw/zinc/52/93/78/556529378.db2.gz MLXONDQOPKMJKA-QGZVFWFLSA-N -1 3 443.219 3.964 40 0 IHABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1OC ZINC000016227507 556593133 /nfs/dbraw/zinc/59/31/33/556593133.db2.gz RLXRKDKMXXIUNO-UHFFFAOYSA-N -1 3 442.493 3.522 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399675 556642383 /nfs/dbraw/zinc/64/23/83/556642383.db2.gz GOSPGSYUOXQIJL-KRWDZBQOSA-N -1 3 435.459 3.841 40 0 IHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000044850315 556670461 /nfs/dbraw/zinc/67/04/61/556670461.db2.gz CMCNXCSPRGPFEE-UHFFFAOYSA-N -1 3 436.537 3.731 40 0 IHABHM O=C(C[C@@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019014869 556692037 /nfs/dbraw/zinc/69/20/37/556692037.db2.gz WXPNYVUTICKDGZ-UGKGYDQZSA-N -1 3 442.604 3.886 40 0 IHABHM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C4CCCCC4)[n-]c(=O)c3C2)s1 ZINC000019217029 556712551 /nfs/dbraw/zinc/71/25/51/556712551.db2.gz LBGHUHADMHABPQ-LJQANCHMSA-N -1 3 426.586 3.808 40 0 IHABHM Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CN(C(C)C)CC4)cc21 ZINC000019236671 556721240 /nfs/dbraw/zinc/72/12/40/556721240.db2.gz GYEBSURTENLBON-JOCHJYFZSA-N -1 3 433.556 3.694 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019238664 556723828 /nfs/dbraw/zinc/72/38/28/556723828.db2.gz DTAQOTVZXUPCDE-PXNSSMCTSA-N -1 3 438.597 3.718 40 0 IHABHM Cc1ccsc1CN1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)nc2C1 ZINC000019238704 556724096 /nfs/dbraw/zinc/72/40/96/556724096.db2.gz KFOLRBSZZKGQOJ-PXNSSMCTSA-N -1 3 438.597 3.718 40 0 IHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccccc2F)cc(=O)[n-]1 ZINC000019240955 556726881 /nfs/dbraw/zinc/72/68/81/556726881.db2.gz QHJAKFNDJCZVOM-JLTOFOAXSA-N -1 3 434.471 3.566 40 0 IHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccccc2F)cc(=O)[n-]1 ZINC000019240956 556726935 /nfs/dbraw/zinc/72/69/35/556726935.db2.gz QHJAKFNDJCZVOM-VBKZILBWSA-N -1 3 434.471 3.566 40 0 IHABHM Cc1nc(C[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285301 556727220 /nfs/dbraw/zinc/72/72/20/556727220.db2.gz LPCIFODMNWGPOA-NRFANRHFSA-N -1 3 437.927 3.699 40 0 IHABHM O=C(C[C@H]1C=CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343678 556741304 /nfs/dbraw/zinc/74/13/04/556741304.db2.gz KRDIPOAUYWQLDT-LAUBAEHRSA-N -1 3 438.597 3.800 40 0 IHABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)CCC5CCCC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448141 556756932 /nfs/dbraw/zinc/75/69/32/556756932.db2.gz NKAPUAKCAFASDA-UHFFFAOYSA-N -1 3 439.604 3.878 40 0 IHABHM CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CCc4ccccc4)[n-]n3c(=O)c2C1 ZINC000019448049 556757175 /nfs/dbraw/zinc/75/71/75/556757175.db2.gz QEMWLMDZZUFTEO-QHCPKHFHSA-N -1 3 447.583 3.888 40 0 IHABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H](C)c5ccccc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448117 556757261 /nfs/dbraw/zinc/75/72/61/556757261.db2.gz FTSODQDPMRQUOL-SFHVURJKSA-N -1 3 447.583 3.711 40 0 IHABHM CC(C)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)nc2C1 ZINC000019448405 556757860 /nfs/dbraw/zinc/75/78/60/556757860.db2.gz HPXDFKPDHYCNLK-FQEVSTJZSA-N -1 3 437.519 3.557 40 0 IHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(I)cc3)c2)n1 ZINC000059006592 556794052 /nfs/dbraw/zinc/79/40/52/556794052.db2.gz OKKGIOQTJKEKAE-UHFFFAOYSA-N -1 3 431.233 3.602 40 0 IHABHM COc1ccccc1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019568918 556808986 /nfs/dbraw/zinc/80/89/86/556808986.db2.gz STGMLEPJVNJHHO-OAQYLSRUSA-N -1 3 444.466 3.693 40 0 IHABHM Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019569686 556809856 /nfs/dbraw/zinc/80/98/56/556809856.db2.gz ZVAINYSPAAAIMY-MRXNPFEDSA-N -1 3 438.553 3.684 40 0 IHABHM CCCn1ncc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389709 556959935 /nfs/dbraw/zinc/95/99/35/556959935.db2.gz BLRJYTLYXKKMPP-IBGZPJMESA-N -1 3 442.535 3.991 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)c(C)c2)cc1 ZINC000020021620 556965147 /nfs/dbraw/zinc/96/51/47/556965147.db2.gz CILXYEXZQLLRQJ-UHFFFAOYSA-N -1 3 442.512 3.939 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3C)cc2)c(Cl)c1Cl ZINC000020106325 556982609 /nfs/dbraw/zinc/98/26/09/556982609.db2.gz UCLSGOIMGJAIDN-UHFFFAOYSA-N -1 3 426.325 3.975 40 0 IHABHM CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000409232237 557023953 /nfs/dbraw/zinc/02/39/53/557023953.db2.gz PHFPILYOSBNKMT-CXUHLZMHSA-N -1 3 431.286 3.955 40 0 IHABHM CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000409244412 557034138 /nfs/dbraw/zinc/03/41/38/557034138.db2.gz CGZJBYWHGFQCCH-CXUHLZMHSA-N -1 3 431.286 3.955 40 0 IHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(I)c1 ZINC000409410858 557103819 /nfs/dbraw/zinc/10/38/19/557103819.db2.gz RGTSLZVPRSPKFF-UHFFFAOYSA-N -1 3 431.295 3.971 40 0 IHABHM CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)s4)[n-]n3c(=O)c2C1 ZINC000100233989 557251934 /nfs/dbraw/zinc/25/19/34/557251934.db2.gz SACAUOFHWRMGNJ-FQEVSTJZSA-N -1 3 439.585 3.827 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4ccc(F)cc4)[n-]n3c2=O)C1 ZINC000100234029 557251975 /nfs/dbraw/zinc/25/19/75/557251975.db2.gz ZRACVTFOYNRASJ-OAQYLSRUSA-N -1 3 437.519 3.708 40 0 IHABHM CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)c(C)c4)[n-]n3c(=O)c2C1 ZINC000100243155 557255415 /nfs/dbraw/zinc/25/54/15/557255415.db2.gz IHGRRJHISFAHBN-QHCPKHFHSA-N -1 3 433.556 3.684 40 0 IHABHM Cc1ccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C2CC2)CC4)cc1 ZINC000100243229 557255726 /nfs/dbraw/zinc/25/57/26/557255726.db2.gz IDLDANCFJBZFNC-QHCPKHFHSA-N -1 3 445.567 3.765 40 0 IHABHM COc1ccc(CN[C@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)cc1OC ZINC000100730055 557272623 /nfs/dbraw/zinc/27/26/23/557272623.db2.gz JCAOFSIXCNWWME-DEOSSOPVSA-N -1 3 440.544 3.833 40 0 IHABHM CCC(CC)C(=O)N1CCC(c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[n-]2)CC1 ZINC000013083116 557276481 /nfs/dbraw/zinc/27/64/81/557276481.db2.gz FIHLPPMVEGQYEE-UHFFFAOYSA-N -1 3 436.560 3.734 40 0 IHABHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585730 557355739 /nfs/dbraw/zinc/35/57/39/557355739.db2.gz QCWKDORRAFPKLZ-UHFFFAOYSA-N -1 3 431.322 3.833 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1 ZINC000222699358 557375847 /nfs/dbraw/zinc/37/58/47/557375847.db2.gz XQRKLFPFLMFWKS-UHFFFAOYSA-N -1 3 444.484 3.677 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1C ZINC000223246620 557450760 /nfs/dbraw/zinc/45/07/60/557450760.db2.gz GDJLWVIQXDKJCO-QGZVFWFLSA-N -1 3 430.555 3.837 40 0 IHABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223304867 557457192 /nfs/dbraw/zinc/45/71/92/557457192.db2.gz ORQFHXVUQBALLR-UHFFFAOYSA-N -1 3 436.839 3.627 40 0 IHABHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)Nc1ccccc1Br ZINC000015935694 557467049 /nfs/dbraw/zinc/46/70/49/557467049.db2.gz QPXGSPWGLNZZMM-UHFFFAOYSA-N -1 3 439.316 3.877 40 0 IHABHM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000223673158 557500228 /nfs/dbraw/zinc/50/02/28/557500228.db2.gz ACNSCMQCUXMEEN-LBPRGKRZSA-N -1 3 436.946 3.792 40 0 IHABHM CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223961569 557535128 /nfs/dbraw/zinc/53/51/28/557535128.db2.gz GVTLOAITKYWHIY-UHFFFAOYSA-N -1 3 428.485 3.955 40 0 IHABHM C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223964629 557535620 /nfs/dbraw/zinc/53/56/20/557535620.db2.gz JPCBMYCTOUBDSX-INIZCTEOSA-N -1 3 428.485 3.824 40 0 IHABHM COc1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224058695 557552981 /nfs/dbraw/zinc/55/29/81/557552981.db2.gz KCBOOIBKDYYRJC-UHFFFAOYSA-N -1 3 440.521 3.743 40 0 IHABHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224546691 557620157 /nfs/dbraw/zinc/62/01/57/557620157.db2.gz AGSJKHSCKRAMJN-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)cc1 ZINC000224550117 557621236 /nfs/dbraw/zinc/62/12/36/557621236.db2.gz QQHKOPMMHFLKLH-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM O=C([N-]c1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccc(Cl)cc1Cl ZINC000224657630 557636895 /nfs/dbraw/zinc/63/68/95/557636895.db2.gz WMISPHDIXLYKSM-UHFFFAOYSA-N -1 3 435.358 3.662 40 0 IHABHM CCCc1ccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000225196925 557698934 /nfs/dbraw/zinc/69/89/34/557698934.db2.gz PSPMYISVLPSBDI-UHFFFAOYSA-N -1 3 428.348 3.768 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(OC)cc1 ZINC000225265406 557706876 /nfs/dbraw/zinc/70/68/76/557706876.db2.gz RMGAVYXTWVETLJ-QGZVFWFLSA-N -1 3 446.554 3.537 40 0 IHABHM Cc1ncc(CO)c(CNC(=O)c2ccc3c(c2[O-])[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)c1O ZINC000257229374 568678522 /nfs/dbraw/zinc/67/85/22/568678522.db2.gz FXWCWKZZCRTBEH-OMWUSAIZSA-N -1 3 440.540 3.914 40 0 IHABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)CCC4CCCC4)CC2)[n-]c3=O)cc1 ZINC000001324604 569212383 /nfs/dbraw/zinc/21/23/83/569212383.db2.gz PDWOLMFKGGZHCT-UHFFFAOYSA-N -1 3 448.571 3.548 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCc1ccccc1 ZINC000033525494 569244358 /nfs/dbraw/zinc/24/43/58/569244358.db2.gz OXTFCANFICTLPD-UHFFFAOYSA-N -1 3 444.940 3.879 40 0 IHABHM CC[C@@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1[O-])c1cc(C(C)C)co1 ZINC000100058396 569588194 /nfs/dbraw/zinc/58/81/94/569588194.db2.gz DGKQQEVYYPCMNE-OAHLLOKOSA-N -1 3 425.485 3.713 40 0 IHABHM COCCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474693 522069492 /nfs/dbraw/zinc/06/94/92/522069492.db2.gz PJWLKBADYYPDAG-MRXNPFEDSA-N -1 3 440.569 3.943 40 0 IHABHM COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000023238903 525910511 /nfs/dbraw/zinc/91/05/11/525910511.db2.gz SIDNMVUUKDOGEE-UHFFFAOYSA-N -1 3 428.485 3.907 40 0 IHABHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1 ZINC000022246367 526519558 /nfs/dbraw/zinc/51/95/58/526519558.db2.gz PTEVMBHQVQVUKY-SFHVURJKSA-N -1 3 441.380 3.896 40 0 IHABHM O=C1c2ccccc2C(=O)N1CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000408544193 555791445 /nfs/dbraw/zinc/79/14/45/555791445.db2.gz SVBKWHISSQGSOU-UHFFFAOYSA-N -1 3 428.473 3.986 40 0 IHABHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408545524 555796776 /nfs/dbraw/zinc/79/67/76/555796776.db2.gz UDQLLWLYTMWDNN-GWCFXTLKSA-N -1 3 425.352 3.727 40 0 IHABHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408545524 555796779 /nfs/dbraw/zinc/79/67/79/555796779.db2.gz UDQLLWLYTMWDNN-GWCFXTLKSA-N -1 3 425.352 3.727 40 0 IHABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408600380 555958928 /nfs/dbraw/zinc/95/89/28/555958928.db2.gz ALWUTBGGJLDWCQ-CYBMUJFWSA-N -1 3 430.448 3.798 40 0 IHABHM CC(C)CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408595595 555961944 /nfs/dbraw/zinc/96/19/44/555961944.db2.gz QVZOIGWJVCKQNN-KRWDZBQOSA-N -1 3 429.369 3.655 40 0 IHABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000408606291 555966639 /nfs/dbraw/zinc/96/66/39/555966639.db2.gz OOFWNCWIWSOUKQ-ZDUSSCGKSA-N -1 3 428.913 3.819 40 0 IHABHM COc1ccc([C@@H](CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)[O-])cc1 ZINC000008665079 556197662 /nfs/dbraw/zinc/19/76/62/556197662.db2.gz KLOBKYUHYUPQQP-LJQANCHMSA-N -1 3 443.631 3.829 40 0 IHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000013673293 556553423 /nfs/dbraw/zinc/55/34/23/556553423.db2.gz MSQULTVRACQSPY-UHFFFAOYSA-N -1 3 428.485 3.706 40 0 IHABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCCC(=O)Nc3cccc(C)c3)o2)cc1 ZINC000034791458 556582450 /nfs/dbraw/zinc/58/24/50/556582450.db2.gz OVRVUTRULJIMAA-UHFFFAOYSA-N -1 3 446.554 3.928 40 0 IHABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100830237 556595589 /nfs/dbraw/zinc/59/55/89/556595589.db2.gz FBYKKEJUYQCEDB-VJBWXMMDSA-N -1 3 448.450 3.894 40 0 IHABHM COc1cc2ncnc(Nc3ccc([O-])c(Cl)c3)c2cc1OCCCN1CCOCC1 ZINC000038349197 556612624 /nfs/dbraw/zinc/61/26/24/556612624.db2.gz IQWXTDMHBQBADK-UHFFFAOYSA-N -1 3 444.919 3.842 40 0 in-vitro IHABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000040399318 556641857 /nfs/dbraw/zinc/64/18/57/556641857.db2.gz TXFSVHIMQSHBHO-HNNXBMFYSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)cc1 ZINC000040400505 556643424 /nfs/dbraw/zinc/64/34/24/556643424.db2.gz KBWUUKOCFRLFJN-OAHLLOKOSA-N -1 3 437.887 3.848 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000101033103 556652695 /nfs/dbraw/zinc/65/26/95/556652695.db2.gz CGDNNSCPXPIDBQ-VABKMULXSA-N -1 3 429.476 3.922 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085307 556699084 /nfs/dbraw/zinc/69/90/84/556699084.db2.gz WTDBNLHQQVRNMB-FQEVSTJZSA-N -1 3 442.604 3.831 40 0 IHABHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2F)C3)cc1 ZINC000019135290 556705767 /nfs/dbraw/zinc/70/57/67/556705767.db2.gz CXDSKJUDHOXGLP-QHCPKHFHSA-N -1 3 446.526 3.753 40 0 IHABHM CSCC[C@@H](NC(=O)c1cc2c(cccc2C)[nH]1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019236680 556721110 /nfs/dbraw/zinc/72/11/10/556721110.db2.gz PPLRJUJRCHLQPG-GOSISDBHSA-N -1 3 433.537 3.846 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019238666 556723801 /nfs/dbraw/zinc/72/38/01/556723801.db2.gz DTAQOTVZXUPCDE-FXAWDEMLSA-N -1 3 438.597 3.718 40 0 IHABHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000013803704 556743145 /nfs/dbraw/zinc/74/31/45/556743145.db2.gz OQASDXQACGOCDP-FSSWDIPSSA-N -1 3 428.444 3.744 40 0 IHABHM O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019368817 556746952 /nfs/dbraw/zinc/74/69/52/556746952.db2.gz YSFOPJIZZYMOOT-QFIPXVFZSA-N -1 3 429.524 3.503 40 0 IHABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H](C)c5ccccc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448119 556757215 /nfs/dbraw/zinc/75/72/15/556757215.db2.gz FTSODQDPMRQUOL-GOSISDBHSA-N -1 3 447.583 3.711 40 0 IHABHM CC(C)c1nc(C[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccc2)cc(=O)[n-]1 ZINC000019453560 556764221 /nfs/dbraw/zinc/76/42/21/556764221.db2.gz KMRWOVRCLDTLLQ-QFIPXVFZSA-N -1 3 431.536 3.861 40 0 IHABHM CC1CCN(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccc(F)cc2)CC1 ZINC000019496879 556769038 /nfs/dbraw/zinc/76/90/38/556769038.db2.gz VZFCHFPMDJGMKX-QFIPXVFZSA-N -1 3 449.530 3.515 40 0 IHABHM CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019499369 556771545 /nfs/dbraw/zinc/77/15/45/556771545.db2.gz PPRDYBSMLWSVFK-KRWDZBQOSA-N -1 3 442.516 3.596 40 0 IHABHM CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019500144 556772035 /nfs/dbraw/zinc/77/20/35/556772035.db2.gz IKFYEMZOQRBVRT-QGZVFWFLSA-N -1 3 428.602 3.944 40 0 IHABHM CN(C)c1cccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c1 ZINC000019585074 556822175 /nfs/dbraw/zinc/82/21/75/556822175.db2.gz XHTULZXUOZKCDH-HSZRJFAPSA-N -1 3 439.519 3.612 40 0 IHABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000019594659 556830274 /nfs/dbraw/zinc/83/02/74/556830274.db2.gz BHGDFDAARSVQKV-KRWDZBQOSA-N -1 3 444.413 3.837 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000071980658 556889944 /nfs/dbraw/zinc/88/99/44/556889944.db2.gz NIGGTDPAOGTUIQ-IBGZPJMESA-N -1 3 449.334 3.911 40 0 IHABHM CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009889 556959946 /nfs/dbraw/zinc/95/99/46/556959946.db2.gz VZNRBEOPQUGAFV-QAPCUYQASA-N -1 3 438.977 3.543 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1C(F)(F)F ZINC000409173998 556984753 /nfs/dbraw/zinc/98/47/53/556984753.db2.gz PCISYLFFRBCZDM-UHFFFAOYSA-N -1 3 427.231 3.929 40 0 IHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000409370853 557089764 /nfs/dbraw/zinc/08/97/64/557089764.db2.gz USLKGIRKMUEQMK-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1 ZINC000303098524 557143371 /nfs/dbraw/zinc/14/33/71/557143371.db2.gz GNCXIRSJUIVJDA-UHFFFAOYSA-N -1 3 438.130 3.673 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)Cc4ccsc4)[n-]n3c2=O)C1 ZINC000100234092 557252065 /nfs/dbraw/zinc/25/20/65/557252065.db2.gz VQVJNGCHBZLKIP-FQEVSTJZSA-N -1 3 439.585 3.559 40 0 IHABHM CCC(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4ccc(C)s4)[n-]n3c2=O)C1 ZINC000100234128 557252510 /nfs/dbraw/zinc/25/25/10/557252510.db2.gz GLEQFXASIAGVGX-HXUWFJFHSA-N -1 3 439.585 3.827 40 0 IHABHM CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000100243177 557255270 /nfs/dbraw/zinc/25/52/70/557255270.db2.gz MTIUOTKUJVFPFI-JOCHJYFZSA-N -1 3 433.556 3.703 40 0 IHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(OC)cc2)[C@H]3c2ccccc2)cc1 ZINC000102693141 557305511 /nfs/dbraw/zinc/30/55/11/557305511.db2.gz MRIXZMITUCEVGP-VABKMULXSA-N -1 3 430.460 3.755 40 0 IHABHM COc1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5nc6ccccc6o5)c(=O)c-4c3C2)cc1 ZINC000013639643 557384844 /nfs/dbraw/zinc/38/48/44/557384844.db2.gz VOGOOKZBPWZPEW-AWEZNQCLSA-N -1 3 426.432 3.776 40 0 IHABHM O=c1cc(CSc2nc3ccccc3o2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000013639795 557384983 /nfs/dbraw/zinc/38/49/83/557384983.db2.gz NTEYETVRIYFWME-UHFFFAOYSA-N -1 3 433.537 3.526 40 0 IHABHM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000223749569 557508921 /nfs/dbraw/zinc/50/89/21/557508921.db2.gz OZYWRUWXRHWZSI-GFCCVEGCSA-N -1 3 436.946 3.792 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(C)cc3)no2)c(Cl)c1Cl ZINC000223757992 557509925 /nfs/dbraw/zinc/50/99/25/557509925.db2.gz VCBWKWGSEMURRE-UHFFFAOYSA-N -1 3 428.297 3.839 40 0 IHABHM CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000223961662 557535103 /nfs/dbraw/zinc/53/51/03/557535103.db2.gz ARLKTEVVSQMMGT-UHFFFAOYSA-N -1 3 428.485 3.955 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCc3ccco3)ccc2C)cc1 ZINC000224062950 557553577 /nfs/dbraw/zinc/55/35/77/557553577.db2.gz CILMNJRUAQOHLE-UHFFFAOYSA-N -1 3 428.510 3.760 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(F)c3)ccc2C)cc1 ZINC000224102559 557561328 /nfs/dbraw/zinc/56/13/28/557561328.db2.gz ZQNLATWLTOJHLM-UHFFFAOYSA-N -1 3 428.485 3.874 40 0 IHABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1OC ZINC000224528603 557617119 /nfs/dbraw/zinc/61/71/19/557617119.db2.gz AMRABUQCIDQARQ-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM COc1ccc([C@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225015851 557678064 /nfs/dbraw/zinc/67/80/64/557678064.db2.gz MCMCLWHMUWNWIE-HNNXBMFYSA-N -1 3 440.591 3.597 40 0 IHABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1NC(=O)C(C)C ZINC000225017752 557678445 /nfs/dbraw/zinc/67/84/45/557678445.db2.gz IVLYFEHBYDLKIO-UHFFFAOYSA-N -1 3 449.598 3.640 40 0 IHABHM Cc1cccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)c1 ZINC000225379555 557716263 /nfs/dbraw/zinc/71/62/63/557716263.db2.gz SMXVKXWSBUKQEG-QGZVFWFLSA-N -1 3 444.582 3.899 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000225478264 557727686 /nfs/dbraw/zinc/72/76/86/557727686.db2.gz QOMWXOBDMIOVJV-OAHLLOKOSA-N -1 3 436.946 3.873 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)n1 ZINC000257284911 568704374 /nfs/dbraw/zinc/70/43/74/568704374.db2.gz PEUYUFJMEDUVHQ-UHFFFAOYSA-N -1 3 436.491 3.551 40 0 IHABHM Cc1cccnc1Nc1cccc(C2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)n1 ZINC000257314673 568717429 /nfs/dbraw/zinc/71/74/29/568717429.db2.gz UXZXTUYUPJEANI-UHFFFAOYSA-N -1 3 432.528 3.590 40 0 IHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c(OC)c1 ZINC000009158063 569293940 /nfs/dbraw/zinc/29/39/40/569293940.db2.gz UBZIBLXCIWQIKU-ZRBLBEILSA-N -1 3 448.450 3.894 40 0 IHABHM Cc1ccc(C)c(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000022720395 524139191 /nfs/dbraw/zinc/13/91/91/524139191.db2.gz IYFPYUMSTGXZKT-UHFFFAOYSA-N -1 3 440.916 3.893 40 0 IHABHM O=C(CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1)NCc1cccs1 ZINC000012643483 527085947 /nfs/dbraw/zinc/08/59/47/527085947.db2.gz LCQSHYOABJFEET-UHFFFAOYSA-N -1 3 426.495 3.539 40 0 IHABHM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408551738 555859917 /nfs/dbraw/zinc/85/99/17/555859917.db2.gz IMPRNJCGHIHGIC-UHFFFAOYSA-N -1 3 430.448 3.800 40 0 IHABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1)C(=O)NC1CCCCC1 ZINC000408611860 555977110 /nfs/dbraw/zinc/97/71/10/555977110.db2.gz RWJWKAVKRMMAHC-CQSZACIVSA-N -1 3 438.496 3.982 40 0 IHABHM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000016215345 556591607 /nfs/dbraw/zinc/59/16/07/556591607.db2.gz YIBQRXWDNONRSU-UHFFFAOYSA-N -1 3 442.493 3.522 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 ZINC000040400513 556643405 /nfs/dbraw/zinc/64/34/05/556643405.db2.gz QDKYKDXLWUNPPV-CQSZACIVSA-N -1 3 437.887 3.848 40 0 IHABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101075348 556653852 /nfs/dbraw/zinc/65/38/52/556653852.db2.gz VARQVJBNNLKMKN-VABKMULXSA-N -1 3 448.450 3.894 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c(Cl)c1 ZINC000044945883 556683587 /nfs/dbraw/zinc/68/35/87/556683587.db2.gz VGYZSVKFSWMUBN-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019288793 556728841 /nfs/dbraw/zinc/72/88/41/556728841.db2.gz KEXKBUBXCVABCQ-MRXNPFEDSA-N -1 3 445.445 3.504 40 0 IHABHM O=C(C[C@H]1C=CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343675 556741419 /nfs/dbraw/zinc/74/14/19/556741419.db2.gz KRDIPOAUYWQLDT-UWJYYQICSA-N -1 3 438.597 3.800 40 0 IHABHM O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349402 556744600 /nfs/dbraw/zinc/74/46/00/556744600.db2.gz JVZMCBPPENKSAG-JOCHJYFZSA-N -1 3 438.547 3.711 40 0 IHABHM CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4cccc(F)c4)[n-]n3c(=O)c2C1 ZINC000019448063 556757046 /nfs/dbraw/zinc/75/70/46/556757046.db2.gz QKZLJKQMHVUTGF-OAQYLSRUSA-N -1 3 437.519 3.708 40 0 IHABHM CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019500093 556772051 /nfs/dbraw/zinc/77/20/51/556772051.db2.gz UVSSVJDNJSWFEQ-LJQANCHMSA-N -1 3 438.572 3.501 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1Cl ZINC000071980568 556890089 /nfs/dbraw/zinc/89/00/89/556890089.db2.gz BZIUWIUSOQMVBS-IBGZPJMESA-N -1 3 449.334 3.911 40 0 IHABHM O=c1cc([C@H]2CCCN(Cc3ccc(Sc4ncccn4)o3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392976 556964544 /nfs/dbraw/zinc/96/45/44/556964544.db2.gz FGYYZTMRYHHOEN-KRWDZBQOSA-N -1 3 446.536 3.746 40 0 IHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)c1 ZINC000409376856 557092680 /nfs/dbraw/zinc/09/26/80/557092680.db2.gz DMDUIHYZRJYFKD-UHFFFAOYSA-N -1 3 440.477 3.542 40 0 IHABHM CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412334 557108796 /nfs/dbraw/zinc/10/87/96/557108796.db2.gz JUUZEDHMHXSSLG-UHFFFAOYSA-N -1 3 439.379 3.784 40 0 IHABHM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)CC(C)(C)O2 ZINC000219286580 557235792 /nfs/dbraw/zinc/23/57/92/557235792.db2.gz QOLXWWTZVRRAMJ-KRWDZBQOSA-N -1 3 438.933 3.752 40 0 IHABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4ccc(F)cc4)[n-]n3c2=O)C1 ZINC000100234027 557251824 /nfs/dbraw/zinc/25/18/24/557251824.db2.gz ZRACVTFOYNRASJ-NRFANRHFSA-N -1 3 437.519 3.708 40 0 IHABHM CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000013083523 557276955 /nfs/dbraw/zinc/27/69/55/557276955.db2.gz ABXNSZYRVWESTM-MRXNPFEDSA-N -1 3 442.951 3.771 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1 ZINC000222675073 557372283 /nfs/dbraw/zinc/37/22/83/557372283.db2.gz DHYBECMYNIZZSI-UHFFFAOYSA-N -1 3 428.485 3.977 40 0 IHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCOc3ccccc32)cc1 ZINC000222684125 557373871 /nfs/dbraw/zinc/37/38/71/557373871.db2.gz JAXJRSWVYCNKOW-UHFFFAOYSA-N -1 3 438.505 3.600 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N(C)Cc1ccccc1F ZINC000222796079 557387605 /nfs/dbraw/zinc/38/76/05/557387605.db2.gz NSZQZVMHRILWQZ-UHFFFAOYSA-N -1 3 442.512 3.972 40 0 IHABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000223086997 557429210 /nfs/dbraw/zinc/42/92/10/557429210.db2.gz OYGNIJSTCMDMRO-UHFFFAOYSA-N -1 3 427.295 3.688 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)c(Cl)c1Cl ZINC000223695309 557503117 /nfs/dbraw/zinc/50/31/17/557503117.db2.gz SKTSJIKOMNNWQS-UHFFFAOYSA-N -1 3 429.325 3.607 40 0 IHABHM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(OC)c1 ZINC000224079627 557557143 /nfs/dbraw/zinc/55/71/43/557557143.db2.gz BOKSEDUQKATCCN-UHFFFAOYSA-N -1 3 444.484 3.574 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCN1c2ccccc2C[C@@H]1C ZINC000224561911 557623910 /nfs/dbraw/zinc/62/39/10/557623910.db2.gz WFRFZGZUKGRFKD-AWEZNQCLSA-N -1 3 439.375 3.577 40 0 IHABHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000224574048 557625798 /nfs/dbraw/zinc/62/57/98/557625798.db2.gz KWNCNBAYWDSZHC-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccccc1C ZINC000224643358 557635265 /nfs/dbraw/zinc/63/52/65/557635265.db2.gz CRDQACIPGULOOE-QGZVFWFLSA-N -1 3 430.555 3.837 40 0 IHABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(OC)cc1 ZINC000225265438 557706884 /nfs/dbraw/zinc/70/68/84/557706884.db2.gz RMGAVYXTWVETLJ-KRWDZBQOSA-N -1 3 446.554 3.537 40 0 IHABHM COc1ccc(C(C)(C)C(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1 ZINC000257214718 568672055 /nfs/dbraw/zinc/67/20/55/568672055.db2.gz CNELJIHWQDVPBZ-UHFFFAOYSA-N -1 3 432.528 3.703 40 0 IHABHM COc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000025581100 568736447 /nfs/dbraw/zinc/73/64/47/568736447.db2.gz BHFXHZDHXBBNKM-LQWHRVPQSA-N -1 3 436.430 3.923 40 0 IHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000324559672 568844197 /nfs/dbraw/zinc/84/41/97/568844197.db2.gz PINRYVNPJGZOIW-UHFFFAOYSA-N -1 3 434.695 3.699 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000033705120 569245942 /nfs/dbraw/zinc/24/59/42/569245942.db2.gz GNQXSSSYJVQQIV-UHFFFAOYSA-N -1 3 426.494 3.904 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 ZINC000107865924 569251469 /nfs/dbraw/zinc/25/14/69/569251469.db2.gz ULGGIXLFMNYSJA-UHFFFAOYSA-N -1 3 442.493 3.522 40 0 IHABHM Cc1cc(C)cc(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000022720385 524421122 /nfs/dbraw/zinc/42/11/22/524421122.db2.gz IIJHCGVHZZGTJV-UHFFFAOYSA-N -1 3 440.916 3.893 40 0 IHABHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408545527 555796847 /nfs/dbraw/zinc/79/68/47/555796847.db2.gz UDQLLWLYTMWDNN-ZWNOBZJWSA-N -1 3 425.352 3.727 40 0 IHABHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408545527 555796850 /nfs/dbraw/zinc/79/68/50/555796850.db2.gz UDQLLWLYTMWDNN-ZWNOBZJWSA-N -1 3 425.352 3.727 40 0 IHABHM C[C@@H](NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C)c1ccccc1 ZINC000408540973 555801099 /nfs/dbraw/zinc/80/10/99/555801099.db2.gz AHSJMIQDZMHNLB-GFCCVEGCSA-N -1 3 447.358 3.920 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCOCC1 ZINC000408608639 555979082 /nfs/dbraw/zinc/97/90/82/555979082.db2.gz RRDUILDYRPHISE-UHFFFAOYSA-N -1 3 429.325 3.575 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000408618934 555982472 /nfs/dbraw/zinc/98/24/72/555982472.db2.gz GVPUTBBVMPUPQZ-UHFFFAOYSA-N -1 3 440.949 3.691 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(C)c2)cc1 ZINC000408675308 556068805 /nfs/dbraw/zinc/06/88/05/556068805.db2.gz VIMHSGYHVXGHIU-UHFFFAOYSA-N -1 3 434.558 3.736 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1 ZINC000014004396 556353890 /nfs/dbraw/zinc/35/38/90/556353890.db2.gz NNGJAKQWTWJAMC-MRXNPFEDSA-N -1 3 426.494 3.902 40 0 IHABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000040399348 556641779 /nfs/dbraw/zinc/64/17/79/556641779.db2.gz UBFZKUCGZLEFSU-INIZCTEOSA-N -1 3 437.887 3.848 40 0 IHABHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400184 556643321 /nfs/dbraw/zinc/64/33/21/556643321.db2.gz QLOLAGCAYBXQJU-AWEZNQCLSA-N -1 3 443.385 3.597 40 0 IHABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3Cc3ccsc3)[n-]c(=O)c2C1 ZINC000019332109 556737162 /nfs/dbraw/zinc/73/71/62/556737162.db2.gz NMSWXIDZKDWMID-HXUWFJFHSA-N -1 3 438.528 3.506 40 0 IHABHM O=C(CCc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019345733 556742635 /nfs/dbraw/zinc/74/26/35/556742635.db2.gz PADOXAQWKNSBDL-UHFFFAOYSA-N -1 3 437.521 3.566 40 0 IHABHM O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349292 556744111 /nfs/dbraw/zinc/74/41/11/556744111.db2.gz ZNHUDYMLKXBWQT-JOCHJYFZSA-N -1 3 438.547 3.711 40 0 IHABHM O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349309 556744389 /nfs/dbraw/zinc/74/43/89/556744389.db2.gz APOISSZREWPGDU-LJQANCHMSA-N -1 3 438.528 3.506 40 0 IHABHM O=C(Cc1ccccc1)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019370336 556747834 /nfs/dbraw/zinc/74/78/34/556747834.db2.gz GWNMPTWOABLIME-QFIPXVFZSA-N -1 3 428.467 3.614 40 0 IHABHM C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 ZINC000019459022 556766421 /nfs/dbraw/zinc/76/64/21/556766421.db2.gz DSVBFHRNFXXDHL-QUCCMNQESA-N -1 3 434.584 3.580 40 0 IHABHM CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019500094 556772071 /nfs/dbraw/zinc/77/20/71/556772071.db2.gz UVSSVJDNJSWFEQ-IBGZPJMESA-N -1 3 438.572 3.501 40 0 IHABHM CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1 ZINC000019532994 556793057 /nfs/dbraw/zinc/79/30/57/556793057.db2.gz KVPTWYSLHYPCAG-JOCHJYFZSA-N -1 3 438.572 3.644 40 0 IHABHM COc1cc(CN2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc(OC)c1OC ZINC000019549707 556794623 /nfs/dbraw/zinc/79/46/23/556794623.db2.gz IUDMKGPDISPIFU-UHFFFAOYSA-N -1 3 442.541 3.711 40 0 IHABHM COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1OC ZINC000019560479 556802080 /nfs/dbraw/zinc/80/20/80/556802080.db2.gz XJXHNTHWWQLJQG-SFHVURJKSA-N -1 3 439.537 3.812 40 0 IHABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020019906 556964092 /nfs/dbraw/zinc/96/40/92/556964092.db2.gz JIMUHPDITSLUFZ-KRWDZBQOSA-N -1 3 440.521 3.752 40 0 IHABHM CCOCc1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OC ZINC000072393165 556964504 /nfs/dbraw/zinc/96/45/04/556964504.db2.gz MMNBJVZPCHBSTC-HXUWFJFHSA-N -1 3 434.540 3.757 40 0 IHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000020020167 556964509 /nfs/dbraw/zinc/96/45/09/556964509.db2.gz RPJPYLLFGRTGOI-UHFFFAOYSA-N -1 3 442.512 3.939 40 0 IHABHM O=CN([O-])[C@@H](CS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000073633117 556977133 /nfs/dbraw/zinc/97/71/33/556977133.db2.gz CKPJPTGSUFIXOU-QHCPKHFHSA-N -1 3 425.506 3.769 40 0 IHABHM Cc1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@H]1CCCO1 ZINC000257240756 556986664 /nfs/dbraw/zinc/98/66/64/556986664.db2.gz HVBOCUMJMIUQOW-DYESRHJHSA-N -1 3 439.604 3.574 40 0 IHABHM CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5cccs5)CC4)[n-]n3c(=O)c2C1 ZINC000100243051 557254936 /nfs/dbraw/zinc/25/49/36/557254936.db2.gz FWVZWXYIUFCPTH-UHFFFAOYSA-N -1 3 439.585 3.561 40 0 IHABHM CCC(CC)C(=O)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000013083108 557276523 /nfs/dbraw/zinc/27/65/23/557276523.db2.gz CRPURNLKFOTACX-UHFFFAOYSA-N -1 3 442.951 3.771 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000101129966 557350939 /nfs/dbraw/zinc/35/09/39/557350939.db2.gz DMTOWFDANFMRDL-ZLNRFVROSA-N -1 3 442.471 3.914 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000222805358 557388753 /nfs/dbraw/zinc/38/87/53/557388753.db2.gz SBTNRJQYMQZQLA-UHFFFAOYSA-N -1 3 428.485 3.977 40 0 IHABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)cc1 ZINC000222835361 557391615 /nfs/dbraw/zinc/39/16/15/557391615.db2.gz AFPIHEUHWUMBMK-QGZVFWFLSA-N -1 3 444.582 3.899 40 0 IHABHM O=S(=O)(Cc1cccc(Br)c1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223655933 557498209 /nfs/dbraw/zinc/49/82/09/557498209.db2.gz MXVRONJAKSPYJD-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(OC)c(OC)c2OC)c(Cl)c1Cl ZINC000223695125 557503046 /nfs/dbraw/zinc/50/30/46/557503046.db2.gz ROUCNSKSSCGHCP-UHFFFAOYSA-N -1 3 436.313 3.506 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)NC(C)C ZINC000223786613 557513197 /nfs/dbraw/zinc/51/31/97/557513197.db2.gz HBZWPGXAWLZVDS-UHFFFAOYSA-N -1 3 432.542 3.956 40 0 IHABHM O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224567562 557624649 /nfs/dbraw/zinc/62/46/49/557624649.db2.gz RWNLPETYAXBILR-UHFFFAOYSA-N -1 3 442.468 3.927 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1N1CCCC1=O ZINC000224879429 557661760 /nfs/dbraw/zinc/66/17/60/557661760.db2.gz SLIMIFIDACYAQZ-UHFFFAOYSA-N -1 3 430.404 3.521 40 0 IHABHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000225185099 557697391 /nfs/dbraw/zinc/69/73/91/557697391.db2.gz UUTPLHIJNCRHLT-AWEZNQCLSA-N -1 3 430.555 3.701 40 0 IHABHM Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1[N-]S(C)(=O)=O ZINC000225700618 557766515 /nfs/dbraw/zinc/76/65/15/557766515.db2.gz NCOHZTCFRRMBHF-UHFFFAOYSA-N -1 3 434.568 3.763 40 0 IHABHM CCc1ccc(CC)c(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000225783367 557777606 /nfs/dbraw/zinc/77/76/06/557777606.db2.gz SUTAMLJVDVHIGN-UHFFFAOYSA-N -1 3 444.582 3.702 40 0 IHABHM CC(C)(C)c1ccc(OCC(=O)[O-])c(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)c1 ZINC000257206506 568668216 /nfs/dbraw/zinc/66/82/16/568668216.db2.gz BDUBLGCKZLSBPA-GMAHTHKFSA-N -1 3 445.531 3.991 40 0 IHABHM Cc1nc2cc([C@@H]3CCCN3Cc3cccs3)[n-]n2c(=O)c1CCC(=O)N1CCCC1 ZINC000257270764 568697778 /nfs/dbraw/zinc/69/77/78/568697778.db2.gz MVOUSAYLIUGGLD-FQEVSTJZSA-N -1 3 439.585 3.697 40 0 IHABHM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3[O-])C2=O)o1 ZINC000033751277 569246572 /nfs/dbraw/zinc/24/65/72/569246572.db2.gz VJDDXLFENKEEFH-VGOFMYFVSA-N -1 3 438.255 3.771 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000059816755 569249720 /nfs/dbraw/zinc/24/97/20/569249720.db2.gz MFQIXWXKSRYDIE-IIDMSEBBSA-N -1 3 437.544 3.725 40 0 IHABHM CCC[C@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000077300648 569293383 /nfs/dbraw/zinc/29/33/83/569293383.db2.gz MGRMJQDIUBITKP-IBGZPJMESA-N -1 3 438.919 3.758 40 0 in-vitro IHABHM CCC[C@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000077300648 569293384 /nfs/dbraw/zinc/29/33/84/569293384.db2.gz MGRMJQDIUBITKP-IBGZPJMESA-N -1 3 438.919 3.758 40 0 in-vitro IHABHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc([O-])ccc1Br ZINC000261362464 569315571 /nfs/dbraw/zinc/31/55/71/569315571.db2.gz DDMNMHNFFWSAAV-MRXNPFEDSA-O -1 3 432.323 3.689 40 0 IHABHM Cc1nc(/C=C/C(=O)N2CCC(c3nccnc3[N-]c3nc(C)c(C)s3)CC2)cs1 ZINC000585291550 569584793 /nfs/dbraw/zinc/58/47/93/569584793.db2.gz RVPNQOMIJDLDMN-SNAWJCMRSA-N -1 3 440.598 4.478 40 0 IHABHM CC[C@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1[O-])c1cc(C(C)C)co1 ZINC000103713285 569586925 /nfs/dbraw/zinc/58/69/25/569586925.db2.gz DGKQQEVYYPCMNE-HNNXBMFYSA-N -1 3 425.485 3.713 40 0 IHABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000223298001 193964040 /nfs/dbraw/zinc/96/40/40/193964040.db2.gz OCDNGPSLNCDTTN-JTQLQIEISA-N -1 3 440.909 3.622 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(Cl)c1 ZINC000020452940 521515439 /nfs/dbraw/zinc/51/54/39/521515439.db2.gz FCPJGPNVOKLLQR-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM COCc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1CCC(C)C ZINC000022448896 523215283 /nfs/dbraw/zinc/21/52/83/523215283.db2.gz OLLKYAYJAFWYTC-UHFFFAOYSA-N -1 3 438.494 3.850 40 0 IHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000020488058 525219878 /nfs/dbraw/zinc/21/98/78/525219878.db2.gz OOCFYAAVYONFPQ-UHFFFAOYSA-N -1 3 449.960 3.980 40 0 IHABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408587578 555937861 /nfs/dbraw/zinc/93/78/61/555937861.db2.gz FBXDRYYYLUZZET-ZDUSSCGKSA-N -1 3 441.347 3.542 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000408601757 555970235 /nfs/dbraw/zinc/97/02/35/555970235.db2.gz HDALCXSRHUOTNR-UHFFFAOYSA-N -1 3 429.325 3.575 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000408635390 556012832 /nfs/dbraw/zinc/01/28/32/556012832.db2.gz AIPYGUWWBPCDST-UHFFFAOYSA-N -1 3 438.933 3.541 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccncc1 ZINC000408674650 556065739 /nfs/dbraw/zinc/06/57/39/556065739.db2.gz AYDABFVBPXWIME-UHFFFAOYSA-N -1 3 445.928 3.539 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(C)c2)cc1 ZINC000408674835 556066168 /nfs/dbraw/zinc/06/61/68/556066168.db2.gz JKUZLUYZNFUKKW-UHFFFAOYSA-N -1 3 432.542 3.632 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1 ZINC000014004394 556353832 /nfs/dbraw/zinc/35/38/32/556353832.db2.gz NNGJAKQWTWJAMC-INIZCTEOSA-N -1 3 426.494 3.902 40 0 IHABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c(C)c1 ZINC000040399350 556642041 /nfs/dbraw/zinc/64/20/41/556642041.db2.gz PFKPMRYEMDKZMW-HNNXBMFYSA-N -1 3 437.887 3.848 40 0 IHABHM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017746346 556679221 /nfs/dbraw/zinc/67/92/21/556679221.db2.gz QBRWSSZSUDHTHM-VABKMULXSA-N -1 3 448.450 3.981 40 0 IHABHM C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078068 556695202 /nfs/dbraw/zinc/69/52/02/556695202.db2.gz RBFBTBMFKPYIKB-CYBMUJFWSA-N -1 3 428.489 3.618 40 0 IHABHM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C(=O)C5CCCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019135515 556706230 /nfs/dbraw/zinc/70/62/30/556706230.db2.gz PZGDVFMFQMLZLK-FQEVSTJZSA-N -1 3 448.567 3.585 40 0 IHABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000013648415 556707570 /nfs/dbraw/zinc/70/75/70/556707570.db2.gz RIWJAXKQAMZFDW-VABKMULXSA-N -1 3 430.460 3.842 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019238676 556723534 /nfs/dbraw/zinc/72/35/34/556723534.db2.gz PMNWPCUMKYGKHY-FXAWDEMLSA-N -1 3 438.597 3.718 40 0 IHABHM O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019369437 556747106 /nfs/dbraw/zinc/74/71/06/556747106.db2.gz OQWNOSWVJIQCPO-JOCHJYFZSA-N -1 3 428.467 3.614 40 0 IHABHM CC(C)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)nc2C1 ZINC000019448383 556758069 /nfs/dbraw/zinc/75/80/69/556758069.db2.gz UFOCLJZNDIBJRY-HXUWFJFHSA-N -1 3 440.975 3.997 40 0 IHABHM CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)on1 ZINC000019452920 556763633 /nfs/dbraw/zinc/76/36/33/556763633.db2.gz PYWHGGVUZHVBMK-HXUWFJFHSA-N -1 3 439.560 3.962 40 0 IHABHM CC1CCC(N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000019495951 556768359 /nfs/dbraw/zinc/76/83/59/556768359.db2.gz CKGXVPGKFLYRSA-RJYAGPCLSA-N -1 3 426.586 3.746 40 0 IHABHM CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019500095 556772189 /nfs/dbraw/zinc/77/21/89/556772189.db2.gz GPHVABVUNPPSSG-LJQANCHMSA-N -1 3 438.572 3.501 40 0 IHABHM COc1cc2nc(-c3cccs3)n([N-]C(=O)c3ccc(F)c(F)c3)c(=O)c2cc1OC ZINC000001365099 556790166 /nfs/dbraw/zinc/79/01/66/556790166.db2.gz PNKCMSQLUSFXJC-UHFFFAOYSA-N -1 3 443.431 3.804 40 0 IHABHM COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c(OC)c1 ZINC000019551940 556795887 /nfs/dbraw/zinc/79/58/87/556795887.db2.gz QRSBBOVBSMUHCZ-GOSISDBHSA-N -1 3 425.510 3.883 40 0 IHABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000059816748 556804675 /nfs/dbraw/zinc/80/46/75/556804675.db2.gz MFQIXWXKSRYDIE-RVKKMQEKSA-N -1 3 437.544 3.725 40 0 IHABHM COc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)c1 ZINC000019564516 556805435 /nfs/dbraw/zinc/80/54/35/556805435.db2.gz VQPBJFAZJMYIQG-JOCHJYFZSA-N -1 3 436.556 3.859 40 0 IHABHM COc1cccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccc(F)cc2)c1 ZINC000019564779 556805701 /nfs/dbraw/zinc/80/57/01/556805701.db2.gz VUWOCXVXOREIQN-QFIPXVFZSA-N -1 3 444.466 3.693 40 0 IHABHM COc1cccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccc(F)cc2)c1 ZINC000019564783 556805722 /nfs/dbraw/zinc/80/57/22/556805722.db2.gz VUWOCXVXOREIQN-JOCHJYFZSA-N -1 3 444.466 3.693 40 0 IHABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Cl)c1[O-] ZINC000408882846 556878452 /nfs/dbraw/zinc/87/84/52/556878452.db2.gz PCSRLSDDYLMNNR-NVNXTCNLSA-N -1 3 436.848 3.868 40 0 IHABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000408907820 556884098 /nfs/dbraw/zinc/88/40/98/556884098.db2.gz SSOWYACPFKIVAO-UHFFFAOYSA-N -1 3 444.484 3.825 40 0 IHABHM CCCn1ncc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389710 556959841 /nfs/dbraw/zinc/95/98/41/556959841.db2.gz BLRJYTLYXKKMPP-LJQANCHMSA-N -1 3 442.535 3.991 40 0 IHABHM COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000409199835 556999046 /nfs/dbraw/zinc/99/90/46/556999046.db2.gz FBMSQLNGCWISOO-MFOYZWKCSA-N -1 3 446.912 3.715 40 0 IHABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Cl)c1[O-] ZINC000409341475 557068724 /nfs/dbraw/zinc/06/87/24/557068724.db2.gz DBUVAMXSYCSMJG-YBEGLDIGSA-N -1 3 438.933 3.739 40 0 IHABHM COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000025823693 557227775 /nfs/dbraw/zinc/22/77/75/557227775.db2.gz FNPHEQLQDLHPTJ-UHFFFAOYSA-N -1 3 444.484 3.574 40 0 IHABHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585728 557355691 /nfs/dbraw/zinc/35/56/91/557355691.db2.gz VSUONPDSKAWSCR-UHFFFAOYSA-N -1 3 431.322 3.833 40 0 IHABHM COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000222675720 557372365 /nfs/dbraw/zinc/37/23/65/557372365.db2.gz LSDROXDGMNHKRM-UHFFFAOYSA-N -1 3 440.521 3.533 40 0 IHABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000222678616 557372876 /nfs/dbraw/zinc/37/28/76/557372876.db2.gz MPMAKZNOGMWUSB-UHFFFAOYSA-N -1 3 426.494 3.538 40 0 IHABHM O=S(=O)([N-]CCSc1n[nH]c(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000222991187 557413088 /nfs/dbraw/zinc/41/30/88/557413088.db2.gz MFQDKXLWBHMCRV-UHFFFAOYSA-N -1 3 429.354 3.849 40 0 IHABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000223284421 557455764 /nfs/dbraw/zinc/45/57/64/557455764.db2.gz MPMFQGWCYIWSGU-RTWAWAEBSA-N -1 3 436.537 3.574 40 0 IHABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000223284807 557455795 /nfs/dbraw/zinc/45/57/95/557455795.db2.gz FSAVXTXNYWPRMQ-NHCUHLMSSA-N -1 3 436.537 3.574 40 0 IHABHM O=S(=O)(Cc1ccc(Br)cc1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223634769 557494651 /nfs/dbraw/zinc/49/46/51/557494651.db2.gz QSYHZPGDTOBYSD-UHFFFAOYSA-N -1 3 442.722 3.772 40 0 IHABHM CC(C)Sc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC000223957389 557534364 /nfs/dbraw/zinc/53/43/64/557534364.db2.gz ISBOQZGFSISVOG-UHFFFAOYSA-N -1 3 447.007 3.729 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(=O)NC(C)C ZINC000224226171 557577634 /nfs/dbraw/zinc/57/76/34/557577634.db2.gz KKVTUOISTWYJFU-UHFFFAOYSA-N -1 3 439.537 3.620 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)cc1 ZINC000224533275 557617427 /nfs/dbraw/zinc/61/74/27/557617427.db2.gz GMTQNICXYXTZTB-QGZVFWFLSA-N -1 3 430.555 3.837 40 0 IHABHM COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)c(C)n2)cc1 ZINC000226096184 557805691 /nfs/dbraw/zinc/80/56/91/557805691.db2.gz NWOXHQJGFUFBOZ-UHFFFAOYSA-N -1 3 427.464 3.772 40 0 IHABHM COc1ccc(-c2cc(=O)[n-]c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000013611774 132351914 /nfs/dbraw/zinc/35/19/14/132351914.db2.gz JWNDQZRXXZXPOP-UHFFFAOYSA-N -1 3 430.430 3.791 40 0 IHABHM CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccccc3)CC2)C1 ZINC000012481333 518614728 /nfs/dbraw/zinc/61/47/28/518614728.db2.gz MLZCFMQXWAYBKM-SFTDATJTSA-N -1 3 429.605 3.574 40 0 biogenic,in-vitro IHABHM Cc1cc(C)c(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(F)cc4)nn32)c(C)c1 ZINC000022720784 524290462 /nfs/dbraw/zinc/29/04/62/524290462.db2.gz KUCHNWDRJHUANV-UHFFFAOYSA-N -1 3 438.488 3.687 40 0 IHABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 ZINC000022246364 526448917 /nfs/dbraw/zinc/44/89/17/526448917.db2.gz RJHGKENPRQWECU-QGZVFWFLSA-N -1 3 427.353 3.505 40 0 IHABHM CCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccc1[O-] ZINC000408532111 555739185 /nfs/dbraw/zinc/73/91/85/555739185.db2.gz NGMNBMQOZJVTKH-UHFFFAOYSA-N -1 3 438.538 3.920 40 0 IHABHM Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408542199 555790414 /nfs/dbraw/zinc/79/04/14/555790414.db2.gz IBIPLFKKBGUPLC-UHFFFAOYSA-N -1 3 437.294 3.820 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1ccccc1 ZINC000408561383 555903541 /nfs/dbraw/zinc/90/35/41/555903541.db2.gz IPEDQWIIAIHIKJ-UHFFFAOYSA-N -1 3 448.903 3.975 40 0 IHABHM O=C1c2cc(Br)ccc2N(Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1=O ZINC000408583831 555930979 /nfs/dbraw/zinc/93/09/79/555930979.db2.gz XEWFARHFRQGSQA-UHFFFAOYSA-N -1 3 444.310 3.768 40 0 IHABHM C[C@H](CCc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408584366 555936904 /nfs/dbraw/zinc/93/69/04/555936904.db2.gz OTNFZHDAKPFXCD-KGLIPLIRSA-N -1 3 429.369 3.798 40 0 IHABHM O=C(NC1CCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596850 555964402 /nfs/dbraw/zinc/96/44/02/555964402.db2.gz SQOZAEBCIORVHJ-GOSISDBHSA-N -1 3 441.380 3.942 40 0 IHABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408605839 555966608 /nfs/dbraw/zinc/96/66/08/555966608.db2.gz NRHLCBXQHRQSSO-MRXNPFEDSA-N -1 3 426.494 3.793 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1Cl ZINC000408612923 555978057 /nfs/dbraw/zinc/97/80/57/555978057.db2.gz ZPJSJMKAHMPKNQ-UHFFFAOYSA-N -1 3 445.928 3.539 40 0 IHABHM Cc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)c1[O-] ZINC000032101421 556529784 /nfs/dbraw/zinc/52/97/84/556529784.db2.gz WQEBLINYUGVAAG-KRWDZBQOSA-N -1 3 443.219 3.964 40 0 IHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000016293314 556598489 /nfs/dbraw/zinc/59/84/89/556598489.db2.gz ZOECZLSXYCIRKT-UHFFFAOYSA-N -1 3 436.533 3.760 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2C)c(Cl)c1Cl ZINC000038755848 556617862 /nfs/dbraw/zinc/61/78/62/556617862.db2.gz JHZXUSLABGZPGF-UHFFFAOYSA-N -1 3 426.325 3.975 40 0 IHABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000040390441 556636926 /nfs/dbraw/zinc/63/69/26/556636926.db2.gz ZNCCGRRQANXUNU-MSOLQXFVSA-N -1 3 437.544 3.727 40 0 IHABHM O=C([N-]n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccccc1Cl ZINC000040396648 556639259 /nfs/dbraw/zinc/63/92/59/556639259.db2.gz ATWYJMSCNWRXOR-UHFFFAOYSA-N -1 3 433.830 3.888 40 0 IHABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000040399317 556641784 /nfs/dbraw/zinc/64/17/84/556641784.db2.gz TXFSVHIMQSHBHO-OAHLLOKOSA-N -1 3 437.887 3.848 40 0 IHABHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400182 556643297 /nfs/dbraw/zinc/64/32/97/556643297.db2.gz QLOLAGCAYBXQJU-CQSZACIVSA-N -1 3 443.385 3.597 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)cc1 ZINC000040400503 556643357 /nfs/dbraw/zinc/64/33/57/556643357.db2.gz KBWUUKOCFRLFJN-HNNXBMFYSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)cc1 ZINC000040400509 556643394 /nfs/dbraw/zinc/64/33/94/556643394.db2.gz MGGYBIHEBHQEKA-OAHLLOKOSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(N)=O)cc2Cl)cc1 ZINC000044847148 556669725 /nfs/dbraw/zinc/66/97/25/556669725.db2.gz YNJZTIKWJWQYHP-UHFFFAOYSA-N -1 3 443.912 3.800 40 0 IHABHM Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1C ZINC000019214141 556711095 /nfs/dbraw/zinc/71/10/95/556711095.db2.gz IKXKUGVNWPLGFF-INIZCTEOSA-N -1 3 438.553 3.684 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000036083055 556713593 /nfs/dbraw/zinc/71/35/93/556713593.db2.gz DMTOWFDANFMRDL-ZRBLBEILSA-N -1 3 442.471 3.914 40 0 IHABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c(OC)c1 ZINC000013776196 556730996 /nfs/dbraw/zinc/73/09/96/556730996.db2.gz UBZIBLXCIWQIKU-VABKMULXSA-N -1 3 448.450 3.894 40 0 IHABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3Cc3ccsc3)[n-]c(=O)c2C1 ZINC000019332106 556737175 /nfs/dbraw/zinc/73/71/75/556737175.db2.gz NMSWXIDZKDWMID-FQEVSTJZSA-N -1 3 438.528 3.506 40 0 IHABHM O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019342689 556740376 /nfs/dbraw/zinc/74/03/76/556740376.db2.gz KLOPZUYQFQALPT-IBGZPJMESA-N -1 3 435.553 3.564 40 0 IHABHM C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 ZINC000019459018 556766181 /nfs/dbraw/zinc/76/61/81/556766181.db2.gz DSVBFHRNFXXDHL-UYAOXDASSA-N -1 3 434.584 3.580 40 0 IHABHM CCc1ccc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cccs2)C3)cc1 ZINC000019522879 556780174 /nfs/dbraw/zinc/78/01/74/556780174.db2.gz VMIFURZGTMJHNC-NRFANRHFSA-N -1 3 448.592 3.929 40 0 IHABHM COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019551360 556795650 /nfs/dbraw/zinc/79/56/50/556795650.db2.gz LSNZZRKAYUHRIM-LJQANCHMSA-N -1 3 439.537 3.812 40 0 IHABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980626 556889972 /nfs/dbraw/zinc/88/99/72/556889972.db2.gz QCHSKSXIISNLHP-IBGZPJMESA-N -1 3 448.441 3.623 40 0 IHABHM CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1[O-] ZINC000409080721 556947455 /nfs/dbraw/zinc/94/74/55/556947455.db2.gz NVJJBKKQXJALJT-ZROIWOOFSA-N -1 3 425.348 3.944 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 ZINC000072376324 556954399 /nfs/dbraw/zinc/95/43/99/556954399.db2.gz HXXPQFCBBQKARV-QGZVFWFLSA-N -1 3 444.948 3.806 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)c(F)c1 ZINC000020020725 556964867 /nfs/dbraw/zinc/96/48/67/556964867.db2.gz YHMCAHYPFPJOQN-UHFFFAOYSA-N -1 3 436.411 3.922 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000020022350 556965622 /nfs/dbraw/zinc/96/56/22/556965622.db2.gz AXSXTFFITZYESQ-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM CN1CCc2nc([C@@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000072398718 556970650 /nfs/dbraw/zinc/97/06/50/556970650.db2.gz NTNGDOTZDZICGB-QPPBQGQZSA-N -1 3 448.611 3.828 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000409166296 556982244 /nfs/dbraw/zinc/98/22/44/556982244.db2.gz CVZNDVDAXSCFIK-UHFFFAOYSA-N -1 3 441.380 3.753 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409166936 556982510 /nfs/dbraw/zinc/98/25/10/556982510.db2.gz HNVHIQWYZLYQSJ-UHFFFAOYSA-N -1 3 427.231 3.929 40 0 IHABHM Cc1ccsc1CN1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C(=O)C(C)C)C3 ZINC000100234378 557252967 /nfs/dbraw/zinc/25/29/67/557252967.db2.gz RAOGFWALZSBRDK-LJQANCHMSA-N -1 3 439.585 3.683 40 0 IHABHM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(I)c1[O-] ZINC000057610856 557254904 /nfs/dbraw/zinc/25/49/04/557254904.db2.gz ZVHLAQDSOHMHIG-CGOBSMCZSA-N -1 3 437.159 3.865 40 0 IHABHM Cc1cccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C2CC2)CC4)c1 ZINC000100243233 557255772 /nfs/dbraw/zinc/25/57/72/557255772.db2.gz GYIWTLXDWWVVKG-QHCPKHFHSA-N -1 3 445.567 3.765 40 0 IHABHM O=C1C[C@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1ccc(Br)cc1 ZINC000100703777 557270426 /nfs/dbraw/zinc/27/04/26/557270426.db2.gz RRTRYLVVJXCDTO-AWEZNQCLSA-N -1 3 446.282 3.629 40 0 IHABHM Cc1[n-][nH]c(=O)c1CCC(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 ZINC000100700607 557270493 /nfs/dbraw/zinc/27/04/93/557270493.db2.gz ICIKICMIMAIOML-NRFANRHFSA-N -1 3 438.959 3.934 40 0 IHABHM CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000013083106 557276610 /nfs/dbraw/zinc/27/66/10/557276610.db2.gz WGGWBYKCRZSOEB-UHFFFAOYSA-N -1 3 442.951 3.915 40 0 IHABHM 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Cc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])cc1C ZINC000409273965 557043363 /nfs/dbraw/zinc/04/33/63/557043363.db2.gz AVRHXWNKWJMCNU-SZPZYZBQSA-N -1 3 443.455 3.628 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1N1CCCC1=O ZINC000219227938 557232090 /nfs/dbraw/zinc/23/20/90/557232090.db2.gz RDGCSDOVYMPRHY-UHFFFAOYSA-N -1 3 430.526 3.944 40 0 IHABHM Cc1cc(CN2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)C(C)C)C4)cs1 ZINC000100234393 557252912 /nfs/dbraw/zinc/25/29/12/557252912.db2.gz BNCAQMWHHITDMN-FQEVSTJZSA-N -1 3 439.585 3.683 40 0 IHABHM O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000100355309 557258685 /nfs/dbraw/zinc/25/86/85/557258685.db2.gz FWCNVJZIFZZVKR-PXNSSMCTSA-N -1 3 449.260 3.729 40 0 IHABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100673308 557269085 /nfs/dbraw/zinc/26/90/85/557269085.db2.gz APARKEVXSWZVIP-VSKRKVRLSA-N -1 3 446.434 3.663 40 0 IHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000222685349 557374226 /nfs/dbraw/zinc/37/42/26/557374226.db2.gz UHCPBYCLYYJOQG-UHFFFAOYSA-N -1 3 428.485 3.977 40 0 IHABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000223284479 557455810 /nfs/dbraw/zinc/45/58/10/557455810.db2.gz MPMFQGWCYIWSGU-LEWJYISDSA-N -1 3 436.537 3.574 40 0 IHABHM COc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc2)c1 ZINC000224547755 557620402 /nfs/dbraw/zinc/62/04/02/557620402.db2.gz HNIQBQVBCGTMAA-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM COc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc(C)c3)cc2)c1 ZINC000224547755 557620405 /nfs/dbraw/zinc/62/04/05/557620405.db2.gz HNIQBQVBCGTMAA-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000225820970 557780945 /nfs/dbraw/zinc/78/09/45/557780945.db2.gz HSOQLHNWOLRXKG-UHFFFAOYSA-N -1 3 447.007 3.730 40 0 IHABHM O=C1C[C@@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1ccc(Br)cc1 ZINC000002700534 562929879 /nfs/dbraw/zinc/92/98/79/562929879.db2.gz RRTRYLVVJXCDTO-CQSZACIVSA-N -1 3 446.282 3.629 40 0 IHABHM CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257228294 568678182 /nfs/dbraw/zinc/67/81/82/568678182.db2.gz FTIDTRALAXGUPA-IBGZPJMESA-N -1 3 436.491 3.713 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1Br ZINC000016084777 569225688 /nfs/dbraw/zinc/22/56/88/569225688.db2.gz YRZVTNFRSALFPN-UHFFFAOYSA-N -1 3 438.130 3.673 40 0 IHABHM COc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000038182501 569248808 /nfs/dbraw/zinc/24/88/08/569248808.db2.gz HXBDJZYZAADCKC-UHFFFAOYSA-N -1 3 435.303 3.679 40 0 IHABHM COc1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000038182501 569248809 /nfs/dbraw/zinc/24/88/09/569248809.db2.gz HXBDJZYZAADCKC-UHFFFAOYSA-N -1 3 435.303 3.679 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000012017246 569303541 /nfs/dbraw/zinc/30/35/41/569303541.db2.gz DMTOWFDANFMRDL-VABKMULXSA-N -1 3 442.471 3.914 40 0 IHABHM Cc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)cc1C ZINC000022720382 525086580 /nfs/dbraw/zinc/08/65/80/525086580.db2.gz MLZSBMGAAKHNAX-UHFFFAOYSA-N -1 3 440.916 3.893 40 0 IHABHM O=C(CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1)N1CCc2ccccc21 ZINC000035311582 527086567 /nfs/dbraw/zinc/08/65/67/527086567.db2.gz DKZDCHALPOHRSO-UHFFFAOYSA-N -1 3 432.477 3.750 40 0 IHABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408536109 555759031 /nfs/dbraw/zinc/75/90/31/555759031.db2.gz YEAJNPZQKBVMIE-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cc(Br)ccc1[O-] ZINC000408542106 555790187 /nfs/dbraw/zinc/79/01/87/555790187.db2.gz GSMKBZNRGNPOHF-UHFFFAOYSA-N -1 3 449.330 3.870 40 0 IHABHM CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596102 555962808 /nfs/dbraw/zinc/96/28/08/555962808.db2.gz REFBGWABGRSCPV-MRXNPFEDSA-N -1 3 429.369 3.798 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)N1CCCC1 ZINC000408611536 555977033 /nfs/dbraw/zinc/97/70/33/555977033.db2.gz XJFDEPQLLMEQQF-UHFFFAOYSA-N -1 3 441.322 3.933 40 0 IHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408613168 555978407 /nfs/dbraw/zinc/97/84/07/555978407.db2.gz ZNJQHBBGBLYQFT-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1I ZINC000408617507 555988341 /nfs/dbraw/zinc/98/83/41/555988341.db2.gz DAPSMYCRIGTKSP-UHFFFAOYSA-N -1 3 447.294 3.888 40 0 IHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408635873 556014308 /nfs/dbraw/zinc/01/43/08/556014308.db2.gz ISBQCJWABMOHEZ-AWEZNQCLSA-N -1 3 440.949 3.833 40 0 IHABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1C ZINC000408674934 556066041 /nfs/dbraw/zinc/06/60/41/556066041.db2.gz NAARLLVEZJZXDS-QGZVFWFLSA-N -1 3 434.558 3.878 40 0 IHABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408679976 556074649 /nfs/dbraw/zinc/07/46/49/556074649.db2.gz XINWWWCVCRPPSV-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1 ZINC000408678645 556076421 /nfs/dbraw/zinc/07/64/21/556076421.db2.gz UHCVKYJJOLZXAS-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000408693017 556092708 /nfs/dbraw/zinc/09/27/08/556092708.db2.gz BHCCGICTNGHSRE-UHFFFAOYSA-N -1 3 432.542 3.909 40 0 IHABHM CC[C@H](C)N1C(=O)S/C(=C/c2cc(I)c([O-])c(OC)c2)C1=O ZINC000009323950 556281633 /nfs/dbraw/zinc/28/16/33/556281633.db2.gz RSUFHGZXWVBOEV-OTIXFSKASA-N -1 3 433.267 3.840 40 0 IHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(Cl)c1 ZINC000030856185 556510256 /nfs/dbraw/zinc/51/02/56/556510256.db2.gz RJWWDPHZFOEGAF-UHFFFAOYSA-N -1 3 449.960 3.980 40 0 IHABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399629 556642031 /nfs/dbraw/zinc/64/20/31/556642031.db2.gz DTNRKRCQOPPJJK-KRWDZBQOSA-N -1 3 443.438 3.870 40 0 IHABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000040399416 556642036 /nfs/dbraw/zinc/64/20/36/556642036.db2.gz ACRXNAZMDKCLHG-HNNXBMFYSA-N -1 3 437.887 3.848 40 0 IHABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040399868 556642579 /nfs/dbraw/zinc/64/25/79/556642579.db2.gz QDUGNUWENSZEBU-GOSISDBHSA-N -1 3 447.495 3.710 40 0 IHABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040399869 556642608 /nfs/dbraw/zinc/64/26/08/556642608.db2.gz QDUGNUWENSZEBU-SFHVURJKSA-N -1 3 447.495 3.710 40 0 IHABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 ZINC000040400063 556642957 /nfs/dbraw/zinc/64/29/57/556642957.db2.gz KODUIRCHXYUSDA-INIZCTEOSA-N -1 3 447.495 3.710 40 0 IHABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000013513339 556667254 /nfs/dbraw/zinc/66/72/54/556667254.db2.gz MURCILWVRZTRIQ-VABKMULXSA-N -1 3 448.450 3.894 40 0 IHABHM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078046 556695160 /nfs/dbraw/zinc/69/51/60/556695160.db2.gz XGIOAQUUOCLEHE-CYBMUJFWSA-N -1 3 428.489 3.618 40 0 IHABHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc(Cl)c1[O-] ZINC000000814122 556698854 /nfs/dbraw/zinc/69/88/54/556698854.db2.gz ZQTUCQRSOJZRKX-GOSISDBHSA-N -1 3 431.876 3.720 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085305 556698946 /nfs/dbraw/zinc/69/89/46/556698946.db2.gz WTDBNLHQQVRNMB-HXUWFJFHSA-N -1 3 442.604 3.831 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4cccs4)C3)cc(=O)[n-]2)CC1 ZINC000019085326 556699328 /nfs/dbraw/zinc/69/93/28/556699328.db2.gz HGVFLALAURCQAA-QGZVFWFLSA-N -1 3 442.585 3.626 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4cccs4)C3)cc(=O)[n-]2)CC1 ZINC000019085328 556699352 /nfs/dbraw/zinc/69/93/52/556699352.db2.gz HGVFLALAURCQAA-KRWDZBQOSA-N -1 3 442.585 3.626 40 0 IHABHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)cc1 ZINC000019135374 556705822 /nfs/dbraw/zinc/70/58/22/556705822.db2.gz QGHHUVGOJBTJFH-QFIPXVFZSA-N -1 3 433.556 3.877 40 0 IHABHM C[C@@]1(C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)CN(Cc2ccccc2)C(=O)O1 ZINC000257343238 556707424 /nfs/dbraw/zinc/70/74/24/556707424.db2.gz ZSBAYSVUOSHAIJ-VWLOTQADSA-N -1 3 438.524 3.773 40 0 IHABHM Cc1ccc(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019210926 556709149 /nfs/dbraw/zinc/70/91/49/556709149.db2.gz JOUAXNRKTQRHRP-AOMKIAJQSA-N -1 3 430.508 3.736 40 0 IHABHM O=C(C1CCCCC1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343616 556741474 /nfs/dbraw/zinc/74/14/74/556741474.db2.gz BNPPJQJOSRLTJN-GOSISDBHSA-N -1 3 440.613 3.676 40 0 IHABHM O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019370788 556748056 /nfs/dbraw/zinc/74/80/56/556748056.db2.gz QUQCDIVNUVBTEX-HSZRJFAPSA-N -1 3 434.584 3.757 40 0 IHABHM O=C(CCC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405373 556754988 /nfs/dbraw/zinc/75/49/88/556754988.db2.gz UQHHVPUNDQGISI-HSZRJFAPSA-N -1 3 449.599 3.747 40 0 IHABHM COc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)cc21 ZINC000019448353 556757724 /nfs/dbraw/zinc/75/77/24/556757724.db2.gz UNYNQPLFCAAEGP-OAQYLSRUSA-N -1 3 449.555 3.806 40 0 IHABHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000001381598 556797176 /nfs/dbraw/zinc/79/71/76/556797176.db2.gz HZXZQOWKOKLAIM-GHMZBOCLSA-N -1 3 426.514 3.950 40 0 IHABHM C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019554333 556797759 /nfs/dbraw/zinc/79/77/59/556797759.db2.gz CHGQEEDTVJNRTL-FQEVSTJZSA-N -1 3 426.492 3.681 40 0 IHABHM Cc1nc(C)c(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)s1 ZINC000019560235 556801780 /nfs/dbraw/zinc/80/17/80/556801780.db2.gz VIAMUGZSYRXMNE-LJQANCHMSA-N -1 3 431.521 3.619 40 0 IHABHM COc1ccccc1OCC(=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019571417 556811552 /nfs/dbraw/zinc/81/15/52/556811552.db2.gz SFENWFPCFZQQTB-KRWDZBQOSA-N -1 3 425.510 3.640 40 0 IHABHM Cc1cc(C)n(CCCC(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)n1 ZINC000019573985 556814280 /nfs/dbraw/zinc/81/42/80/556814280.db2.gz SVPQVRYJYRQAHS-UHFFFAOYSA-N -1 3 439.585 3.573 40 0 IHABHM C=Cn1cc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c(C)n1 ZINC000019584168 556821600 /nfs/dbraw/zinc/82/16/00/556821600.db2.gz VFQMUBMLWXQGMH-HXUWFJFHSA-N -1 3 426.492 3.681 40 0 IHABHM CN(C)c1ncccc1CN[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019584158 556821635 /nfs/dbraw/zinc/82/16/35/556821635.db2.gz OYTFJFMYDWWZPW-QFIPXVFZSA-N -1 3 426.524 3.779 40 0 IHABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020019915 556964147 /nfs/dbraw/zinc/96/41/47/556964147.db2.gz JXLTYZJSPUHEMG-QGZVFWFLSA-N -1 3 440.521 3.752 40 0 IHABHM Cc1ccc2c(cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CN(C(C)C)CC4)n2C)c1 ZINC000072399052 556971407 /nfs/dbraw/zinc/97/14/07/556971407.db2.gz NDFQXKWYNZYGCC-JOCHJYFZSA-N -1 3 447.583 3.704 40 0 IHABHM CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409213070 557007610 /nfs/dbraw/zinc/00/76/10/557007610.db2.gz SEGUSIDZSXYWAV-MDWZMJQESA-N -1 3 444.303 3.543 40 0 IHABHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409389764 557101039 /nfs/dbraw/zinc/10/10/39/557101039.db2.gz IXTDZDOIPZNZOT-SECBINFHSA-N -1 3 437.732 3.961 40 0 IHABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102712687 557133095 /nfs/dbraw/zinc/13/30/95/557133095.db2.gz KGEQGIAXPBGPBH-BHIFYINESA-N -1 3 434.423 3.591 40 0 IHABHM O=C(C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C12)c1ccc2ccccc2c1 ZINC000100355303 557258646 /nfs/dbraw/zinc/25/86/46/557258646.db2.gz FWCNVJZIFZZVKR-YLJYHZDGSA-N -1 3 449.260 3.729 40 0 IHABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000101123766 557339626 /nfs/dbraw/zinc/33/96/26/557339626.db2.gz ZZEGYUHGFNNAND-ZLNRFVROSA-N -1 3 429.476 3.922 40 0 IHABHM C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc([O-])c(I)c2)S1 ZINC000222583000 557355964 /nfs/dbraw/zinc/35/59/64/557355964.db2.gz WVZCHJKYRJONMQ-VFVAKGGASA-N -1 3 437.306 3.981 40 0 IHABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(OC)cc1 ZINC000222640236 557367428 /nfs/dbraw/zinc/36/74/28/557367428.db2.gz NVVYBJODCLXFGN-QGZVFWFLSA-N -1 3 446.554 3.537 40 0 IHABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000222678438 557372859 /nfs/dbraw/zinc/37/28/59/557372859.db2.gz LAVUYUMEHDQUIF-UHFFFAOYSA-N -1 3 426.494 3.538 40 0 IHABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 ZINC000223147081 557438988 /nfs/dbraw/zinc/43/89/88/557438988.db2.gz PMAYOPRIFZDLTH-HNNXBMFYSA-N -1 3 430.555 3.755 40 0 IHABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 ZINC000223147006 557439020 /nfs/dbraw/zinc/43/90/20/557439020.db2.gz PMAYOPRIFZDLTH-OAHLLOKOSA-N -1 3 430.555 3.755 40 0 IHABHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(Br)s1 ZINC000223575337 557487772 /nfs/dbraw/zinc/48/77/72/557487772.db2.gz HOZDAGURUVMQFO-UHFFFAOYSA-N -1 3 434.724 3.693 40 0 IHABHM CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223961744 557535161 /nfs/dbraw/zinc/53/51/61/557535161.db2.gz XMFHSYHLMYLHIZ-UHFFFAOYSA-N -1 3 428.485 3.955 40 0 IHABHM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc(C)c3)cc2)cc1 ZINC000224547338 557620485 /nfs/dbraw/zinc/62/04/85/557620485.db2.gz LRDCLVTXMAEWMP-UHFFFAOYSA-N -1 3 446.550 3.746 40 0 IHABHM CCCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000225381237 557716610 /nfs/dbraw/zinc/71/66/10/557716610.db2.gz GROKCXBQWWJCHM-UHFFFAOYSA-N -1 3 447.007 3.730 40 0 IHABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c(C)c1 ZINC000225796487 557778522 /nfs/dbraw/zinc/77/85/22/557778522.db2.gz PAVSVSJFWJUEOS-SFHVURJKSA-N -1 3 444.582 3.817 40 0 IHABHM O=C(COc1ccc(Cl)cc1Cl)N1NC(C(F)(F)F)=C[C@@]1([O-])C(F)(F)F ZINC000059192180 557817977 /nfs/dbraw/zinc/81/79/77/557817977.db2.gz LDNQPZZPGZFHAA-LLVKDONJSA-N -1 3 425.112 3.774 40 0 IHABHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000223297957 193964123 /nfs/dbraw/zinc/96/41/23/193964123.db2.gz OCDNGPSLNCDTTN-SNVBAGLBSA-N -1 3 440.909 3.622 40 0 IHABHM CCN(CC)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246353 520536452 /nfs/dbraw/zinc/53/64/52/520536452.db2.gz WVGXISARQOFRFA-KRWDZBQOSA-N -1 3 429.369 3.751 40 0 IHABHM CCOc1cc(C)ccc1OCC(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256474 520689607 /nfs/dbraw/zinc/68/96/07/520689607.db2.gz CZEVUPXCBUEICT-UHFFFAOYSA-N -1 3 448.523 3.736 40 0 IHABHM CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012241611 522902662 /nfs/dbraw/zinc/90/26/62/522902662.db2.gz RFMAFOGJKXTKNS-FQEVSTJZSA-N -1 3 448.523 3.816 40 0 IHABHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000035843307 524928388 /nfs/dbraw/zinc/92/83/88/524928388.db2.gz OQASDXQACGOCDP-VSKRKVRLSA-N -1 3 428.444 3.744 40 0 IHABHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000012200139 526963496 /nfs/dbraw/zinc/96/34/96/526963496.db2.gz ZWHWJOAMDMDEQB-UHFFFAOYSA-N -1 3 432.807 3.813 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1Cl ZINC000408554421 555883259 /nfs/dbraw/zinc/88/32/59/555883259.db2.gz RXODZOUFEAMSJQ-UHFFFAOYSA-N -1 3 440.949 3.691 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccccc1 ZINC000408557193 555895127 /nfs/dbraw/zinc/89/51/27/555895127.db2.gz LZGBXTFCOQADSC-UHFFFAOYSA-N -1 3 440.477 3.520 40 0 IHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1OC ZINC000408588032 555938479 /nfs/dbraw/zinc/93/84/79/555938479.db2.gz WHDHWADJPMNRFQ-UHFFFAOYSA-N -1 3 447.282 3.966 40 0 IHABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000408593962 555960200 /nfs/dbraw/zinc/96/02/00/555960200.db2.gz QXLPMUQYQWLTOJ-CYBMUJFWSA-N -1 3 441.347 3.542 40 0 IHABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408605799 555966159 /nfs/dbraw/zinc/96/61/59/555966159.db2.gz NMSSNVODBSHCQN-KRWDZBQOSA-N -1 3 440.521 3.580 40 0 IHABHM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1C ZINC000408622855 555991727 /nfs/dbraw/zinc/99/17/27/555991727.db2.gz NTJZNCRAYXYTPY-UHFFFAOYSA-N -1 3 440.521 3.964 40 0 IHABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1C ZINC000408674933 556066072 /nfs/dbraw/zinc/06/60/72/556066072.db2.gz NAARLLVEZJZXDS-KRWDZBQOSA-N -1 3 434.558 3.878 40 0 IHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1OC ZINC000408696430 556098523 /nfs/dbraw/zinc/09/85/23/556098523.db2.gz BICFMEYSYDPILW-UHFFFAOYSA-N -1 3 431.283 3.746 40 0 IHABHM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(I)c1O ZINC000408735820 556202747 /nfs/dbraw/zinc/20/27/47/556202747.db2.gz YBZVQVBSQMSRKX-UHFFFAOYSA-N -1 3 428.251 4.000 40 0 IHABHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1OCC ZINC000030858634 556510799 /nfs/dbraw/zinc/51/07/99/556510799.db2.gz JETIHNZWPGZMCI-CYBMUJFWSA-N -1 3 440.949 4.000 40 0 IHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000013677056 556554814 /nfs/dbraw/zinc/55/48/14/556554814.db2.gz FYGKZWFMIRDECD-UHFFFAOYSA-N -1 3 436.839 3.918 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCc1ccc(Cl)cc1 ZINC000016490354 556612368 /nfs/dbraw/zinc/61/23/68/556612368.db2.gz FEONDTSMDJVUGQ-UHFFFAOYSA-N -1 3 430.913 3.836 40 0 IHABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000040399261 556641739 /nfs/dbraw/zinc/64/17/39/556641739.db2.gz NGKGJZLYQJWIJL-MRXNPFEDSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2Cl)cc1 ZINC000044839547 556668130 /nfs/dbraw/zinc/66/81/30/556668130.db2.gz PYHQIRYFTRRTBY-UHFFFAOYSA-N -1 3 443.912 3.800 40 0 IHABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085269 556698952 /nfs/dbraw/zinc/69/89/52/556698952.db2.gz KJTVYGLHPMVMBU-HXUWFJFHSA-N -1 3 442.604 3.831 40 0 IHABHM Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019220392 556715118 /nfs/dbraw/zinc/71/51/18/556715118.db2.gz OUWWXDZVPLXEGN-FQEVSTJZSA-N -1 3 434.540 3.877 40 0 IHABHM O=C(c1cccc(F)c1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(CC1CC1)CC3 ZINC000019293550 556733122 /nfs/dbraw/zinc/73/31/22/556733122.db2.gz JBGRRAQRNDDICG-QFIPXVFZSA-N -1 3 449.530 3.710 40 0 IHABHM O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019332032 556737053 /nfs/dbraw/zinc/73/70/53/556737053.db2.gz NCRMBMVHLKCOAT-QFIPXVFZSA-N -1 3 447.514 3.642 40 0 IHABHM O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019332036 556737197 /nfs/dbraw/zinc/73/71/97/556737197.db2.gz NCRMBMVHLKCOAT-JOCHJYFZSA-N -1 3 447.514 3.642 40 0 IHABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019333339 556737963 /nfs/dbraw/zinc/73/79/63/556737963.db2.gz PZAWRDIHDHJBMD-JOCHJYFZSA-N -1 3 438.547 3.918 40 0 IHABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[n-]c(=O)c2C1 ZINC000019343460 556741597 /nfs/dbraw/zinc/74/15/97/556741597.db2.gz LRMOPCKHYDECFO-FQEVSTJZSA-N -1 3 438.528 3.506 40 0 IHABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccc2)cc(=O)[n-]1 ZINC000019453558 556764231 /nfs/dbraw/zinc/76/42/31/556764231.db2.gz KMRWOVRCLDTLLQ-JOCHJYFZSA-N -1 3 431.536 3.861 40 0 IHABHM C=Cn1ncc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000019554330 556797753 /nfs/dbraw/zinc/79/77/53/556797753.db2.gz SHGDPYJKHFCNJK-HXUWFJFHSA-N -1 3 426.492 3.681 40 0 IHABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)cc1 ZINC000019555511 556798343 /nfs/dbraw/zinc/79/83/43/556798343.db2.gz UOQXCHZXAPPFDN-JOCHJYFZSA-N -1 3 436.556 3.603 40 0 IHABHM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)CC)cc1)CCCC2 ZINC000019886502 556938701 /nfs/dbraw/zinc/93/87/01/556938701.db2.gz IQXMKBVSKGZTLT-UHFFFAOYSA-N -1 3 436.555 3.818 40 0 IHABHM Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(C)c3)n2)n1 ZINC000072376383 556954665 /nfs/dbraw/zinc/95/46/65/556954665.db2.gz LUDBXVMVMYENTP-HXUWFJFHSA-N -1 3 438.557 3.770 40 0 IHABHM Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072379945 556956883 /nfs/dbraw/zinc/95/68/83/556956883.db2.gz RXCKKOIBAKDXJI-HNNXBMFYSA-N -1 3 431.475 3.959 40 0 IHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000020020315 556964577 /nfs/dbraw/zinc/96/45/77/556964577.db2.gz JWDIAOXRNPXRNY-UHFFFAOYSA-N -1 3 442.512 3.939 40 0 IHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000006577009 557122036 /nfs/dbraw/zinc/12/20/36/557122036.db2.gz RMZWPBIXXJEQBB-NJYVYQBISA-N -1 3 432.432 3.507 40 0 IHABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccc(C)o2)cc1 ZINC000102914496 557309871 /nfs/dbraw/zinc/30/98/71/557309871.db2.gz OCZMTJMEJFNJHE-FKBYEOEOSA-N -1 3 446.459 3.734 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000113939710 557310801 /nfs/dbraw/zinc/31/08/01/557310801.db2.gz ZNNIXHXUTSGQAR-UHFFFAOYSA-N -1 3 432.542 3.911 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCc3nnc(N)s3)c(Cl)c2)cc1 ZINC000222641653 557367340 /nfs/dbraw/zinc/36/73/40/557367340.db2.gz RFAAPIZGTZACFO-UHFFFAOYSA-N -1 3 440.934 3.552 40 0 IHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c(OC)c1 ZINC000101135365 557372113 /nfs/dbraw/zinc/37/21/13/557372113.db2.gz UBZIBLXCIWQIKU-ZLNRFVROSA-N -1 3 448.450 3.894 40 0 IHABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000222692372 557374800 /nfs/dbraw/zinc/37/48/00/557374800.db2.gz YTMVOKKZOFGMNJ-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)cc1 ZINC000222835300 557391605 /nfs/dbraw/zinc/39/16/05/557391605.db2.gz AFPIHEUHWUMBMK-KRWDZBQOSA-N -1 3 444.582 3.899 40 0 IHABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000223284632 557455774 /nfs/dbraw/zinc/45/57/74/557455774.db2.gz FSAVXTXNYWPRMQ-SFTDATJTSA-N -1 3 436.537 3.574 40 0 IHABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1 ZINC000223600373 557490584 /nfs/dbraw/zinc/49/05/84/557490584.db2.gz UFFXFYSGDMAMLQ-UHFFFAOYSA-N -1 3 431.514 3.746 40 0 IHABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000224547267 557620416 /nfs/dbraw/zinc/62/04/16/557620416.db2.gz ZQOJRSKNKWONAH-UHFFFAOYSA-N -1 3 434.514 3.877 40 0 IHABHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000225185068 557697413 /nfs/dbraw/zinc/69/74/13/557697413.db2.gz UUTPLHIJNCRHLT-CQSZACIVSA-N -1 3 430.555 3.701 40 0 IHABHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 ZINC000225828285 557781959 /nfs/dbraw/zinc/78/19/59/557781959.db2.gz QSAVJVLGMZSVSE-KRWDZBQOSA-N -1 3 444.582 3.899 40 0 IHABHM Cc1nc2cc([C@H]3CCCN3Cc3cccs3)[n-]n2c(=O)c1CCC(=O)N1CCCC1 ZINC000257270765 568697704 /nfs/dbraw/zinc/69/77/04/568697704.db2.gz MVOUSAYLIUGGLD-HXUWFJFHSA-N -1 3 439.585 3.697 40 0 IHABHM CC(C)(C)C1CCN(C(=O)c2c([O-])ccc3c2O[C@@H]2C[C@H]4C[C@H](C4(C)C)[C@]2(O)[C@H]3O)CC1 ZINC000257324950 568722147 /nfs/dbraw/zinc/72/21/47/568722147.db2.gz WQWNTTREMVKGRB-RNOFBJJSSA-N -1 3 443.584 3.882 40 0 IHABHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(Cc1cccc3ccccc31)C2=O ZINC000049947107 568882909 /nfs/dbraw/zinc/88/29/09/568882909.db2.gz LYEWQQOIDSVJGM-XMMPIXPASA-N -1 3 444.516 3.542 40 0 IHABHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1cccc3ccccc31)C2=O ZINC000049947108 568883021 /nfs/dbraw/zinc/88/30/21/568883021.db2.gz LYEWQQOIDSVJGM-DEOSSOPVSA-N -1 3 444.516 3.542 40 0 IHABHM 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569315636 /nfs/dbraw/zinc/31/56/36/569315636.db2.gz QSGRWCSAYMNBAI-GOSISDBHSA-O -1 3 431.925 3.979 40 0 IHABHM CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(Cl)c1[O-] ZINC000261362138 569315639 /nfs/dbraw/zinc/31/56/39/569315639.db2.gz GHINUTRRRWLAJS-SFHVURJKSA-O -1 3 431.925 3.979 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CC)c(Cl)c2)cc1 ZINC000408617855 193983435 /nfs/dbraw/zinc/98/34/35/193983435.db2.gz DQUVTRCKUWDYSE-AWEZNQCLSA-N -1 3 440.949 3.833 40 0 IHABHM Cc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)cc1 ZINC000022720342 525085292 /nfs/dbraw/zinc/08/52/92/525085292.db2.gz QNSFODDWIGDVPK-UHFFFAOYSA-N -1 3 426.889 3.585 40 0 IHABHM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc([O-])ccc1Br ZINC000001119968 555636962 /nfs/dbraw/zinc/63/69/62/555636962.db2.gz XRYTWBLZFYXCIC-QGZVFWFLSA-N -1 3 433.327 3.648 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)cc1F ZINC000408531086 555729468 /nfs/dbraw/zinc/72/94/68/555729468.db2.gz 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ZINC000020020400 556964502 /nfs/dbraw/zinc/96/45/02/556964502.db2.gz KOEFRZIWMDMGQR-UHFFFAOYSA-N -1 3 444.484 3.961 40 0 IHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000020022479 556965610 /nfs/dbraw/zinc/96/56/10/556965610.db2.gz VQAMHGUYSMJLPN-UHFFFAOYSA-N -1 3 446.475 3.769 40 0 IHABHM Cc1ccc2c(cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)CN(C(C)C)CC4)n2C)c1 ZINC000072399053 556971514 /nfs/dbraw/zinc/97/15/14/556971514.db2.gz NDFQXKWYNZYGCC-QFIPXVFZSA-N -1 3 447.583 3.704 40 0 IHABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1Cl ZINC000020040833 556971930 /nfs/dbraw/zinc/97/19/30/556971930.db2.gz WUHYFJBUVLPTSV-UHFFFAOYSA-N -1 3 431.297 3.794 40 0 IHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000216285084 557142052 /nfs/dbraw/zinc/14/20/52/557142052.db2.gz UMOIYKXPYGAEFL-UHFFFAOYSA-N -1 3 436.537 3.731 40 0 IHABHM CN(CCCNC(=O)OC(C)(C)C)CCOc1ccccc1Oc1ncccc1C(=O)[O-] ZINC000585274058 557218013 /nfs/dbraw/zinc/21/80/13/557218013.db2.gz ZSOQSXSWLWFZNU-UHFFFAOYSA-N -1 3 445.516 3.798 40 0 IHABHM CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000100243176 557255495 /nfs/dbraw/zinc/25/54/95/557255495.db2.gz MTIUOTKUJVFPFI-QFIPXVFZSA-N -1 3 433.556 3.703 40 0 IHABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c(OC)c1 ZINC000101135363 557372201 /nfs/dbraw/zinc/37/22/01/557372201.db2.gz UBZIBLXCIWQIKU-VJBWXMMDSA-N -1 3 448.450 3.894 40 0 IHABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000222798867 557387934 /nfs/dbraw/zinc/38/79/34/557387934.db2.gz TWCDOUSAEGHUPK-UHFFFAOYSA-N -1 3 440.521 3.846 40 0 IHABHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccccc1 ZINC000223410775 557468592 /nfs/dbraw/zinc/46/85/92/557468592.db2.gz YOGXFRGHTYVASC-KRWDZBQOSA-N -1 3 430.555 3.509 40 0 IHABHM CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])n2CC)s1 ZINC000018130032 557496772 /nfs/dbraw/zinc/49/67/72/557496772.db2.gz KDFVAJXKWGYHSL-UHFFFAOYSA-N -1 3 440.554 3.969 40 0 IHABHM CCCSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC000223669018 557499695 /nfs/dbraw/zinc/49/96/95/557499695.db2.gz QMCCLDPAKYBWAG-UHFFFAOYSA-N -1 3 447.007 3.730 40 0 IHABHM COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000223963363 557535410 /nfs/dbraw/zinc/53/54/10/557535410.db2.gz VHTXGTAQBHFMQG-UHFFFAOYSA-N -1 3 442.512 3.998 40 0 IHABHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000224549915 557621154 /nfs/dbraw/zinc/62/11/54/557621154.db2.gz YQLQXQVGWUSPKC-UHFFFAOYSA-N -1 3 438.477 3.708 40 0 IHABHM O=C(Nc1nnc(S(=O)(=O)[N-]c2c(F)cccc2F)s1)c1ccccc1Cl ZINC000224611187 557630527 /nfs/dbraw/zinc/63/05/27/557630527.db2.gz ZLZLWMIDCNWGEQ-UHFFFAOYSA-N -1 3 430.845 3.523 40 0 IHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)N1CCCC1 ZINC000224871093 557660640 /nfs/dbraw/zinc/66/06/40/557660640.db2.gz HCHFEQZBAZQNRW-UHFFFAOYSA-N -1 3 444.431 3.631 40 0 IHABHM Cc1cccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c1 ZINC000225423539 557721718 /nfs/dbraw/zinc/72/17/18/557721718.db2.gz DLSAJUFHTYUFFS-QGZVFWFLSA-N -1 3 430.555 3.509 40 0 IHABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1C ZINC000225534403 557737998 /nfs/dbraw/zinc/73/79/98/557737998.db2.gz XICONNNAZUVLSV-OAHLLOKOSA-N -1 3 430.555 3.755 40 0 IHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1Cl ZINC000226083405 557805030 /nfs/dbraw/zinc/80/50/30/557805030.db2.gz KOXMULHVALUEOL-UHFFFAOYSA-N -1 3 440.949 3.691 40 0 IHABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000033612455 569244977 /nfs/dbraw/zinc/24/49/77/569244977.db2.gz HSQBERYQDZNNBR-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000009307237 569295262 /nfs/dbraw/zinc/29/52/62/569295262.db2.gz OQASDXQACGOCDP-BDTNDASRSA-N -1 3 428.444 3.744 40 0 IHABHM COCCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474704 522069340 /nfs/dbraw/zinc/06/93/40/522069340.db2.gz NJLRMPYKWILZCB-INIZCTEOSA-N -1 3 440.569 3.801 40 0 IHABHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000012643327 524358344 /nfs/dbraw/zinc/35/83/44/524358344.db2.gz HZXZQOWKOKLAIM-PHIMTYICSA-N -1 3 426.514 3.950 40 0 IHABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408587575 555937896 /nfs/dbraw/zinc/93/78/96/555937896.db2.gz FBXDRYYYLUZZET-CYBMUJFWSA-N -1 3 441.347 3.542 40 0 IHABHM CC1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)CC1 ZINC000408590094 555947171 /nfs/dbraw/zinc/94/71/71/555947171.db2.gz JCTPFRDDVWXADQ-UHFFFAOYSA-N -1 3 440.924 3.917 40 0 IHABHM CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592286 555953611 /nfs/dbraw/zinc/95/36/11/555953611.db2.gz JULMLEFZFQLZRV-CXAGYDPISA-N -1 3 429.369 3.798 40 0 IHABHM CC(C)(C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596099 555962801 /nfs/dbraw/zinc/96/28/01/555962801.db2.gz REFBGWABGRSCPV-INIZCTEOSA-N -1 3 429.369 3.798 40 0 IHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CC)c(Cl)c2)cc1 ZINC000408617856 555981473 /nfs/dbraw/zinc/98/14/73/555981473.db2.gz DQUVTRCKUWDYSE-CQSZACIVSA-N -1 3 440.949 3.833 40 0 IHABHM COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000011332988 556340544 /nfs/dbraw/zinc/34/05/44/556340544.db2.gz PUFVIJYJZIYSEM-UHFFFAOYSA-N -1 3 428.485 3.608 40 0 IHABHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(OC)c1 ZINC000014062787 556358978 /nfs/dbraw/zinc/35/89/78/556358978.db2.gz BCQMYYHLJSIYAZ-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM O=C(NCCSCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031253490 556521263 /nfs/dbraw/zinc/52/12/63/556521263.db2.gz JYVXKKOWEFXJJN-UHFFFAOYSA-N -1 3 434.514 3.883 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc2ccccc2c1 ZINC000015362117 556523211 /nfs/dbraw/zinc/52/32/11/556523211.db2.gz DXNXZOGSJQTFCL-UHFFFAOYSA-N -1 3 436.327 3.968 40 0 IHABHM O=C(c1ccc([O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101256 556529370 /nfs/dbraw/zinc/52/93/70/556529370.db2.gz GDIRHIRHJVVDPQ-MRXNPFEDSA-N -1 3 429.192 3.656 40 0 IHABHM O=C(c1cccc([O-])c1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000032101263 556529414 /nfs/dbraw/zinc/52/94/14/556529414.db2.gz ZMNSNFJIQWLWKB-INIZCTEOSA-N -1 3 429.192 3.656 40 0 IHABHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1OC ZINC000015589354 556536516 /nfs/dbraw/zinc/53/65/16/556536516.db2.gz INTFAHIAPSUOJV-UHFFFAOYSA-N -1 3 430.457 3.896 40 0 IHABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000040390534 556637430 /nfs/dbraw/zinc/63/74/30/556637430.db2.gz BQEWJQLJRNDEBK-AEFFLSMTSA-N -1 3 445.523 3.757 40 0 IHABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 ZINC000040400531 556643304 /nfs/dbraw/zinc/64/33/04/556643304.db2.gz GUTCKXYJKFUDCY-AWEZNQCLSA-N -1 3 437.887 3.848 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019238675 556723882 /nfs/dbraw/zinc/72/38/82/556723882.db2.gz PMNWPCUMKYGKHY-PXNSSMCTSA-N -1 3 438.597 3.718 40 0 IHABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)c3cccs3)[n-]c(=O)c2C1 ZINC000019238694 556724001 /nfs/dbraw/zinc/72/40/01/556724001.db2.gz GMLSITAEFFMDFF-KRWDZBQOSA-N -1 3 440.594 3.737 40 0 IHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019240944 556726852 /nfs/dbraw/zinc/72/68/52/556726852.db2.gz SPOMRHLZUJQLJU-SZNDQCEHSA-N -1 3 434.471 3.566 40 0 IHABHM COc1cccc(-c2cc(C(=O)N[C@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)no2)c1 ZINC000019285381 556727173 /nfs/dbraw/zinc/72/71/73/556727173.db2.gz MJZZRLCJMSZBSL-HXUWFJFHSA-N -1 3 448.454 3.595 40 0 IHABHM Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019288792 556728838 /nfs/dbraw/zinc/72/88/38/556728838.db2.gz KEXKBUBXCVABCQ-INIZCTEOSA-N -1 3 445.445 3.504 40 0 IHABHM O=C(CC1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405363 556754776 /nfs/dbraw/zinc/75/47/76/556754776.db2.gz RAORLTFUCFTDMS-QHCPKHFHSA-N -1 3 449.599 3.747 40 0 IHABHM COc1ccc(OC)c(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019551362 556795558 /nfs/dbraw/zinc/79/55/58/556795558.db2.gz LSNZZRKAYUHRIM-IBGZPJMESA-N -1 3 439.537 3.812 40 0 IHABHM CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980618 556890016 /nfs/dbraw/zinc/89/00/16/556890016.db2.gz QWBUUFVGHVPCJX-QFIPXVFZSA-N -1 3 436.552 3.902 40 0 IHABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccn2Cc2ccccc2F)C3)CC1 ZINC000072335649 556908408 /nfs/dbraw/zinc/90/84/08/556908408.db2.gz HUVXGZGHHJQOMZ-UHFFFAOYSA-N -1 3 435.547 3.966 40 0 IHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccc(C)cc1 ZINC000020000795 556957513 /nfs/dbraw/zinc/95/75/13/556957513.db2.gz ILBIIPQTTHGDQR-UHFFFAOYSA-N -1 3 430.389 3.978 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccc(F)cc1 ZINC000020020447 556964593 /nfs/dbraw/zinc/96/45/93/556964593.db2.gz DIYAPOFJTYKNAK-UHFFFAOYSA-N -1 3 448.903 3.975 40 0 IHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000020020241 556964638 /nfs/dbraw/zinc/96/46/38/556964638.db2.gz DVTDRGOIPQPOLS-UHFFFAOYSA-N -1 3 428.485 3.630 40 0 IHABHM CN1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000072398719 556970593 /nfs/dbraw/zinc/97/05/93/556970593.db2.gz NTNGDOTZDZICGB-URXFXBBRSA-N -1 3 448.611 3.828 40 0 IHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Br)c1 ZINC000409145353 556976759 /nfs/dbraw/zinc/97/67/59/556976759.db2.gz ONAISKGUVXQGMX-UHFFFAOYSA-N -1 3 438.130 3.673 40 0 IHABHM CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409216706 557011624 /nfs/dbraw/zinc/01/16/24/557011624.db2.gz KHOVBEVFAYSGHN-PBJWJZLWSA-N -1 3 444.303 3.541 40 0 IHABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000409393387 557097441 /nfs/dbraw/zinc/09/74/41/557097441.db2.gz WAKKBYUQFPYUFI-UHFFFAOYSA-N -1 3 442.468 3.847 40 0 IHABHM CCN1CCN(Cc2ccc(C(=O)[O-])cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183610 557139403 /nfs/dbraw/zinc/13/94/03/557139403.db2.gz MZWYLZZPZYOPCW-XMMPIXPASA-N -1 3 443.547 3.970 40 0 IHABHM COC(=O)c1cnc([N-]c2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(C)n2)s1 ZINC000585262721 557201921 /nfs/dbraw/zinc/20/19/21/557201921.db2.gz YEUPVYQBSRITEL-ZDUSSCGKSA-N -1 3 433.534 3.886 40 0 IHABHM COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000219286654 557235703 /nfs/dbraw/zinc/23/57/03/557235703.db2.gz BEFJGRBEORILQU-KRWDZBQOSA-N -1 3 438.933 3.752 40 0 IHABHM CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000222675827 557372256 /nfs/dbraw/zinc/37/22/56/557372256.db2.gz FUGFMRZSHOUGQQ-UHFFFAOYSA-N -1 3 428.485 3.664 40 0 IHABHM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713386 557377654 /nfs/dbraw/zinc/37/76/54/557377654.db2.gz XZXVHGGCAOHXAY-MRXNPFEDSA-N -1 3 440.496 3.983 40 0 IHABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4cc(OC)ccc4c3)n2)cc1 ZINC000223006255 557414786 /nfs/dbraw/zinc/41/47/86/557414786.db2.gz BLTHQQVSUCCWIC-UHFFFAOYSA-N -1 3 439.493 3.776 40 0 IHABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000223306930 557457476 /nfs/dbraw/zinc/45/74/76/557457476.db2.gz VDTREJVFFGQNBC-GFCCVEGCSA-N -1 3 436.946 3.792 40 0 IHABHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000224532224 557617464 /nfs/dbraw/zinc/61/74/64/557617464.db2.gz BBFCEGJRMRNRHF-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM CC(C)Sc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000225744444 557772066 /nfs/dbraw/zinc/77/20/66/557772066.db2.gz SZQUOMLCCSNWPM-UHFFFAOYSA-N -1 3 447.007 3.729 40 0 IHABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c(C)c1 ZINC000225923888 557793030 /nfs/dbraw/zinc/79/30/30/557793030.db2.gz VEKLYFOKPDHXCR-UHFFFAOYSA-N -1 3 428.913 3.633 40 0 IHABHM CC(C)=CCc1c2c(c([O-])c3c1O[C@@H]1Oc4cc(O)ccc4[C@@]1(O)C3=O)C=CC(C)(C)O2 ZINC000015203531 560229163 /nfs/dbraw/zinc/22/91/63/560229163.db2.gz DQNIDSLDXGTEPL-UKILVPOCSA-N -1 3 436.460 3.972 40 0 biogenic,in-vitro IHABHM C[C@]1(C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257240710 568684125 /nfs/dbraw/zinc/68/41/25/568684125.db2.gz HUTUCCMCAGSDMH-XMMPIXPASA-N -1 3 442.487 3.917 40 0 IHABHM CC(=O)Nc1ccnn1CCNC(=O)c1ccc2c(c1[O-])[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 ZINC000257296254 568709505 /nfs/dbraw/zinc/70/95/05/568709505.db2.gz RBXPYJLAEBDPFP-ZTFGCOKTSA-N -1 3 440.544 3.668 40 0 IHABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000247800768 569206149 /nfs/dbraw/zinc/20/61/49/569206149.db2.gz FPKVWBIKHJLCJK-VNHKHXMHSA-N -1 3 447.583 3.625 40 0 IHABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000107574665 569250462 /nfs/dbraw/zinc/25/04/62/569250462.db2.gz FKOMZVODZWOVAK-UHFFFAOYSA-N -1 3 426.494 3.822 40 0 IHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccccc1 ZINC000108245159 569252803 /nfs/dbraw/zinc/25/28/03/569252803.db2.gz YKSBRCMPLFHYSH-UHFFFAOYSA-N -1 3 430.913 3.836 40 0 IHABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000139113436 569254738 /nfs/dbraw/zinc/25/47/38/569254738.db2.gz BQEWJQLJRNDEBK-SJLPKXTDSA-N -1 3 445.523 3.757 40 0 IHABHM