smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nc(OC)n1 ZINC000000670681 551518977 /nfs/dbraw/zinc/51/89/77/551518977.db2.gz ZUAQQZZAZWTBEH-UHFFFAOYSA-N -1 0 513.359 3.619 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC(F)(F)C(F)F)c3)cc2)nc(OC)n1 ZINC000000672798 551519743 /nfs/dbraw/zinc/51/97/43/551519743.db2.gz JFDBFJSFAIBTSP-UHFFFAOYSA-N -1 0 530.456 3.784 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)n1 ZINC000000674660 551521363 /nfs/dbraw/zinc/52/13/63/551521363.db2.gz XNKDYPWOIREYOT-UHFFFAOYSA-N -1 0 505.394 3.983 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)n1 ZINC000000705494 551531323 /nfs/dbraw/zinc/53/13/23/551531323.db2.gz CGKIBEJZPKPUPV-UHFFFAOYSA-N -1 0 508.341 3.751 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000000708757 551532408 /nfs/dbraw/zinc/53/24/08/551532408.db2.gz MZBXHZXWZGBXHK-GJFKPFFXSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000000708759 551532395 /nfs/dbraw/zinc/53/23/95/551532395.db2.gz MZBXHZXWZGBXHK-LWUPDDLQSA-N -1 0 544.585 3.765 50 0 KHAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(Br)c(OC)c1OC ZINC000000710178 551533007 /nfs/dbraw/zinc/53/30/07/551533007.db2.gz UPGGWWLIIWIGFB-UHFFFAOYSA-N -1 0 551.419 3.935 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)n1 ZINC000000710359 551533053 /nfs/dbraw/zinc/53/30/53/551533053.db2.gz QRSOEDLWYUONSZ-UHFFFAOYSA-N -1 0 508.341 3.751 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000000714382 551533886 /nfs/dbraw/zinc/53/38/86/551533886.db2.gz SQVOQFSRBILWOM-FCKOQQNDSA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000714385 551533889 /nfs/dbraw/zinc/53/38/89/551533889.db2.gz SQVOQFSRBILWOM-DLBLZJNESA-N -1 0 514.559 3.757 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cc(C(F)(F)F)ccc4Cl)CC3)nc21 ZINC000000719141 551535752 /nfs/dbraw/zinc/53/57/52/551535752.db2.gz DRXFINWUDHTIEI-UHFFFAOYSA-N -1 0 540.955 3.701 50 0 KHAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)nn1 ZINC000000721342 551537782 /nfs/dbraw/zinc/53/77/82/551537782.db2.gz ATHLTWNVPUNNOA-UHFFFAOYSA-N -1 0 549.453 3.949 50 0 KHAARM O=C([O-])c1c(Br)c(Br)c(Br)c(Br)c1C(=O)N1CCOCC1 ZINC000000823364 551544291 /nfs/dbraw/zinc/54/42/91/551544291.db2.gz MPTXKDUYVIRACY-UHFFFAOYSA-N -1 0 550.823 3.907 50 0 KHAARM COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836997 551547070 /nfs/dbraw/zinc/54/70/70/551547070.db2.gz YHBACVXJYUSIQV-QGZVFWFLSA-N -1 0 506.795 3.815 50 0 KHAARM COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836998 551547084 /nfs/dbraw/zinc/54/70/84/551547084.db2.gz YHBACVXJYUSIQV-KRWDZBQOSA-N -1 0 506.795 3.815 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000870174 551553684 /nfs/dbraw/zinc/55/36/84/551553684.db2.gz VOUUHYBWLHGXFZ-GJFKPFFXSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000870176 551553687 /nfs/dbraw/zinc/55/36/87/551553687.db2.gz VOUUHYBWLHGXFZ-LWUPDDLQSA-N -1 0 544.585 3.765 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)nc(OC)n1 ZINC000000934279 551586701 /nfs/dbraw/zinc/58/67/01/551586701.db2.gz OHIASSGJJAUPRZ-UHFFFAOYSA-N -1 0 518.551 3.778 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)nc(C)n1 ZINC000000935672 551587083 /nfs/dbraw/zinc/58/70/83/551587083.db2.gz SYRFAFLJWMTJOV-INIZCTEOSA-N -1 0 508.556 3.715 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)nc(C)n1 ZINC000000935673 551587072 /nfs/dbraw/zinc/58/70/72/551587072.db2.gz SYRFAFLJWMTJOV-MRXNPFEDSA-N -1 0 508.556 3.715 50 0 KHAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(Br)c(OC)c1OC ZINC000000936818 551587044 /nfs/dbraw/zinc/58/70/44/551587044.db2.gz ICTGHVGZKNATQC-UHFFFAOYSA-N -1 0 522.377 3.923 50 0 KHAARM O=C([O-])CCN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938094 551587356 /nfs/dbraw/zinc/58/73/56/551587356.db2.gz IWERPELSLCZVSE-UHFFFAOYSA-N -1 0 534.780 3.807 50 0 KHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C ZINC000000941895 551587909 /nfs/dbraw/zinc/58/79/09/551587909.db2.gz RYIYZBJCEQYNPO-OAQYLSRUSA-N -1 0 510.572 3.742 50 0 KHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C ZINC000000941896 551587814 /nfs/dbraw/zinc/58/78/14/551587814.db2.gz RYIYZBJCEQYNPO-NRFANRHFSA-N -1 0 510.572 3.742 50 0 KHAARM O=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000942841 551588226 /nfs/dbraw/zinc/58/82/26/551588226.db2.gz IIUYKGOLWRTUMP-UHFFFAOYSA-N -1 0 542.209 3.820 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)no1 ZINC000000950486 551589141 /nfs/dbraw/zinc/58/91/41/551589141.db2.gz BERHSMVSEWDCDQ-UHFFFAOYSA-N -1 0 504.318 3.905 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)no1 ZINC000000959482 551590091 /nfs/dbraw/zinc/59/00/91/551590091.db2.gz HHVLGQKJCXUSDL-HSZRJFAPSA-N -1 0 530.562 3.630 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)no1 ZINC000000959483 551590005 /nfs/dbraw/zinc/59/00/05/551590005.db2.gz HHVLGQKJCXUSDL-QHCPKHFHSA-N -1 0 530.562 3.630 50 0 KHAARM C[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000959883 551590001 /nfs/dbraw/zinc/59/00/01/551590001.db2.gz KPOUWIJUNZQRPX-REOHCLBHSA-N -1 0 534.780 3.806 50 0 KHAARM C[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000959884 551590396 /nfs/dbraw/zinc/59/03/96/551590396.db2.gz KPOUWIJUNZQRPX-UWTATZPHSA-N -1 0 534.780 3.806 50 0 KHAARM CCOC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2cc(Br)c(Cl)s2)c1 ZINC000001030651 551598084 /nfs/dbraw/zinc/59/80/84/551598084.db2.gz QNBDIJUSIIMDQQ-UHFFFAOYSA-N -1 0 509.831 3.978 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)s1 ZINC000001079223 551605539 /nfs/dbraw/zinc/60/55/39/551605539.db2.gz QNPZGZZSDHTSIO-UHFFFAOYSA-N -1 0 514.370 3.758 50 0 KHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000001096272 551607614 /nfs/dbraw/zinc/60/76/14/551607614.db2.gz CLGBUCQOZSPKHL-UHFFFAOYSA-N -1 0 531.656 3.826 50 0 KHAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000001097882 551607858 /nfs/dbraw/zinc/60/78/58/551607858.db2.gz VRMUVXXMRLQCIQ-MRXNPFEDSA-N -1 0 500.577 3.826 50 0 KHAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000001097883 551607889 /nfs/dbraw/zinc/60/78/89/551607889.db2.gz VRMUVXXMRLQCIQ-INIZCTEOSA-N -1 0 500.577 3.826 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)nc(OC)n1 ZINC000001100703 551608654 /nfs/dbraw/zinc/60/86/54/551608654.db2.gz IOHWQGDLRLJRED-UHFFFAOYSA-N -1 0 506.968 3.582 50 0 KHAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1I ZINC000001104507 551609444 /nfs/dbraw/zinc/60/94/44/551609444.db2.gz BFZHPMAMLGTTGT-UHFFFAOYSA-N -1 0 515.354 3.809 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccc([C@H]3Cc4ccccc4C(=O)O3)n2)cc1)c1ccccc1 ZINC000001122636 551613281 /nfs/dbraw/zinc/61/32/81/551613281.db2.gz MNMFEYNSEYCBMC-HSZRJFAPSA-N -1 0 500.536 3.984 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccc([C@@H]3Cc4ccccc4C(=O)O3)n2)cc1)c1ccccc1 ZINC000001122638 551613337 /nfs/dbraw/zinc/61/33/37/551613337.db2.gz MNMFEYNSEYCBMC-QHCPKHFHSA-N -1 0 500.536 3.984 50 0 KHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000001148274 551618748 /nfs/dbraw/zinc/61/87/48/551618748.db2.gz CQNXHSFMFFAGGA-UHFFFAOYSA-N -1 0 547.655 3.526 50 0 KHAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2cccc(I)c2)C3=O)cc1 ZINC000001209969 551625167 /nfs/dbraw/zinc/62/51/67/551625167.db2.gz UQEFYNBVLRQDHZ-UHFFFAOYSA-N -1 0 533.299 3.623 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)nc(OC)n1 ZINC000001274692 551635460 /nfs/dbraw/zinc/63/54/60/551635460.db2.gz KIPKLJRIRCSRRC-UHFFFAOYSA-N -1 0 579.479 3.957 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)N[C@@H](C)c4ccc(F)cc4)CC3)cc21 ZINC000001443366 551673791 /nfs/dbraw/zinc/67/37/91/551673791.db2.gz FNPRBBHKPQWLSO-HNNXBMFYSA-N -1 0 500.571 3.756 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)N[C@H](C)c4ccc(F)cc4)CC3)cc21 ZINC000001443367 551673747 /nfs/dbraw/zinc/67/37/47/551673747.db2.gz FNPRBBHKPQWLSO-OAHLLOKOSA-N -1 0 500.571 3.756 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)s1 ZINC000001506190 551683192 /nfs/dbraw/zinc/68/31/92/551683192.db2.gz GBLPUODYXLTOBO-UHFFFAOYSA-N -1 0 514.370 3.758 50 0 KHAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nn1 ZINC000001645399 551687633 /nfs/dbraw/zinc/68/76/33/551687633.db2.gz AZZCLSSLIAFDBY-UHFFFAOYSA-N -1 0 529.463 3.681 50 0 KHAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(Br)c(OC)c1OC ZINC000001747622 551692122 /nfs/dbraw/zinc/69/21/22/551692122.db2.gz CCXRJEUCAUOMGC-UHFFFAOYSA-N -1 0 528.406 3.985 50 0 KHAARM CSCC[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-] ZINC000001749970 551692674 /nfs/dbraw/zinc/69/26/74/551692674.db2.gz JRGALSGVFNVSMX-IBGZPJMESA-N -1 0 513.568 3.631 50 0 KHAARM CSCC[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-] ZINC000001749971 551692692 /nfs/dbraw/zinc/69/26/92/551692692.db2.gz JRGALSGVFNVSMX-LJQANCHMSA-N -1 0 513.568 3.631 50 0 biogenic KHAARM CC(C)[C@H](NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000001758982 551694067 /nfs/dbraw/zinc/69/40/67/551694067.db2.gz PUZXFVZVCKXPAJ-OVHOFWQVSA-N -1 0 514.170 3.801 50 0 KHAARM CC(C)[C@@H](NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000001758987 551694078 /nfs/dbraw/zinc/69/40/78/551694078.db2.gz PUZXFVZVCKXPAJ-RCBBPTIPSA-N -1 0 514.170 3.801 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001770492 551696016 /nfs/dbraw/zinc/69/60/16/551696016.db2.gz PAWFZLULGWFYCV-UHFFFAOYSA-N -1 0 520.658 3.761 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)s1 ZINC000001770494 551696029 /nfs/dbraw/zinc/69/60/29/551696029.db2.gz HNVMWWQLFVZCBA-UHFFFAOYSA-N -1 0 549.700 3.718 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)n1 ZINC000001770497 551696098 /nfs/dbraw/zinc/69/60/98/551696098.db2.gz WJVNRHMDRRVCFF-UHFFFAOYSA-N -1 0 543.671 3.711 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)no1 ZINC000001774952 551697284 /nfs/dbraw/zinc/69/72/84/551697284.db2.gz ARIXLMMDHAEAEK-UHFFFAOYSA-N -1 0 518.617 3.601 50 0 KHAARM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000001781120 551698363 /nfs/dbraw/zinc/69/83/63/551698363.db2.gz JGPPPPZJVIUYGX-UHFFFAOYSA-N -1 0 520.633 3.847 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000001792152 551701893 /nfs/dbraw/zinc/70/18/93/551701893.db2.gz MRBSYRVDYJBHCN-UHFFFAOYSA-N -1 0 524.562 3.947 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)s1 ZINC000001794621 551702397 /nfs/dbraw/zinc/70/23/97/551702397.db2.gz XVJDPUMQAURDNY-CALCHBBNSA-N -1 0 563.727 3.820 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000001806667 551704688 /nfs/dbraw/zinc/70/46/88/551704688.db2.gz RTLCOTTVJUQUDY-GJFKPFFXSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000001806669 551704675 /nfs/dbraw/zinc/70/46/75/551704675.db2.gz RTLCOTTVJUQUDY-LWUPDDLQSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001811729 551706466 /nfs/dbraw/zinc/70/64/66/551706466.db2.gz DPORHRQEWRMFEX-YMSBRDKKSA-N -1 0 532.549 3.896 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001811733 551706470 /nfs/dbraw/zinc/70/64/70/551706470.db2.gz DPORHRQEWRMFEX-IGSWSUAKSA-N -1 0 532.549 3.896 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)n1 ZINC000001870155 551719397 /nfs/dbraw/zinc/71/93/97/551719397.db2.gz RSBXSAAEYIRUHU-UHFFFAOYSA-N -1 0 567.434 3.626 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc(Br)c(C)nc4[nH]3)cc2)nc(C)n1 ZINC000001878450 551723599 /nfs/dbraw/zinc/72/35/99/551723599.db2.gz ABVKALPEYOVPOI-UHFFFAOYSA-N -1 0 562.475 3.967 50 0 KHAARM CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000001881351 551724234 /nfs/dbraw/zinc/72/42/34/551724234.db2.gz NOTQEICVZRXTRG-UHFFFAOYSA-N -1 0 553.670 3.815 50 0 KHAARM Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(CCS(=O)(=O)[O-])C3=O)c3cc(Br)ccc32)cc1 ZINC000001885571 1066489223 /nfs/dbraw/zinc/48/92/23/1066489223.db2.gz MULQKAKTJMBXLU-ISLYRVAYSA-N -1 0 553.481 3.764 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4sc(NC(C)=O)nc4C)cs3)cc2)nc(OC)n1 ZINC000001895829 551727499 /nfs/dbraw/zinc/72/74/99/551727499.db2.gz KRDJPOVMBYYLOQ-UHFFFAOYSA-N -1 0 547.644 3.885 50 0 KHAARM Cn1c(=O)c(C(=O)c2cccc(S(=O)(=O)[O-])c2)c2c3c1ccc(Br)c3C(=O)c1ccccc1-2 ZINC000002025091 551736454 /nfs/dbraw/zinc/73/64/54/551736454.db2.gz PPWUWWJKCOMUTB-UHFFFAOYSA-N -1 0 524.348 3.990 50 0 KHAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002049488 551737524 /nfs/dbraw/zinc/73/75/24/551737524.db2.gz MMDPCPJPTJRWJM-IZZVBFKTSA-N -1 0 584.650 3.798 50 0 KHAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002049490 551737474 /nfs/dbraw/zinc/73/74/74/551737474.db2.gz MMDPCPJPTJRWJM-RJQPNXBESA-N -1 0 584.650 3.798 50 0 KHAARM CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1 ZINC000002049572 551737718 /nfs/dbraw/zinc/73/77/18/551737718.db2.gz PGJHPHPFFIQELK-FBRKSOCZSA-N -1 0 569.639 3.736 50 0 KHAARM CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1 ZINC000002049574 551737683 /nfs/dbraw/zinc/73/76/83/551737683.db2.gz PGJHPHPFFIQELK-ZPVURNRZSA-N -1 0 569.639 3.736 50 0 KHAARM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cccc(OCC(=O)[O-])c3)sc2=N1 ZINC000002049576 551737673 /nfs/dbraw/zinc/73/76/73/551737673.db2.gz QVTNZDVTESHULI-IBYCJETLSA-N -1 0 560.031 3.991 50 0 KHAARM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cccc(OCC(=O)[O-])c3)sc2=N1 ZINC000002049578 551737686 /nfs/dbraw/zinc/73/76/86/551737686.db2.gz QVTNZDVTESHULI-OFCKJYIJSA-N -1 0 560.031 3.991 50 0 KHAARM COC(=O)[C@@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002050338 551738273 /nfs/dbraw/zinc/73/82/73/551738273.db2.gz NCBIDVVZCAYKJE-SFHVURJKSA-N -1 0 521.926 3.627 50 0 KHAARM COC(=O)[C@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002050339 551738336 /nfs/dbraw/zinc/73/83/36/551738336.db2.gz NCBIDVVZCAYKJE-GOSISDBHSA-N -1 0 521.926 3.627 50 0 KHAARM COC(=O)[C@@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002050340 551738317 /nfs/dbraw/zinc/73/83/17/551738317.db2.gz WGEMXLBTMLNEEX-SFHVURJKSA-N -1 0 521.926 3.627 50 0 KHAARM COC(=O)[C@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002050341 551738324 /nfs/dbraw/zinc/73/83/24/551738324.db2.gz WGEMXLBTMLNEEX-GOSISDBHSA-N -1 0 521.926 3.627 50 0 KHAARM CCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F ZINC000002050576 551738555 /nfs/dbraw/zinc/73/85/55/551738555.db2.gz VKLIUPRGYZUSTA-UHFFFAOYSA-N -1 0 515.436 3.873 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)nc(OC)n1 ZINC000002060961 551742605 /nfs/dbraw/zinc/74/26/05/551742605.db2.gz ZQEDWROWPYWTBE-QNGOZBTKSA-N -1 0 565.633 3.766 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002075629 551749641 /nfs/dbraw/zinc/74/96/41/551749641.db2.gz GHFDAGCJKVLYDL-LYFUXTGPSA-N -1 0 549.432 3.828 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002075631 551749913 /nfs/dbraw/zinc/74/99/13/551749913.db2.gz GHFDAGCJKVLYDL-BYHQVZLYSA-N -1 0 549.432 3.828 50 0 KHAARM Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc12 ZINC000002112495 551768250 /nfs/dbraw/zinc/76/82/50/551768250.db2.gz PWSGMIOMHSUWGO-NRFANRHFSA-N -1 0 523.517 3.523 50 0 biogenic KHAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1-c1ccccc1 ZINC000002112668 551768285 /nfs/dbraw/zinc/76/82/85/551768285.db2.gz VSDVBHKQJAQVAW-SANMLTNESA-N -1 0 504.539 3.707 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002113101 551768497 /nfs/dbraw/zinc/76/84/97/551768497.db2.gz KQVQJEYMNYDMMF-WZQKQDCOSA-N -1 0 504.539 3.789 50 0 biogenic KHAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000002113821 551768711 /nfs/dbraw/zinc/76/87/11/551768711.db2.gz NUIUPKVBMXZLLO-DEOSSOPVSA-N -1 0 504.539 3.707 50 0 biogenic KHAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002118915 551769843 /nfs/dbraw/zinc/76/98/43/551769843.db2.gz FPTXNBWQENGVEZ-NRFANRHFSA-N -1 0 519.554 3.692 50 0 biogenic KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000002120075 551770086 /nfs/dbraw/zinc/77/00/86/551770086.db2.gz RHVWNFVCPCWEGX-GJFKPFFXSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000002120083 551770069 /nfs/dbraw/zinc/77/00/69/551770069.db2.gz RHVWNFVCPCWEGX-LWUPDDLQSA-N -1 0 544.585 3.765 50 0 KHAARM COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)[O-])ccc23)cc1 ZINC000002120328 551770177 /nfs/dbraw/zinc/77/01/77/551770177.db2.gz BNJUELXOBVNCKN-QHCPKHFHSA-N -1 0 503.507 3.674 50 0 biogenic KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002121807 551770844 /nfs/dbraw/zinc/77/08/44/551770844.db2.gz QOXOOYWGWIEWCT-FQEVSTJZSA-N -1 0 525.945 3.728 50 0 biogenic KHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002121841 551770877 /nfs/dbraw/zinc/77/08/77/551770877.db2.gz FCAKWBWRDKWMAT-NRFANRHFSA-N -1 0 519.554 3.774 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002123479 551771288 /nfs/dbraw/zinc/77/12/88/551771288.db2.gz JAYUEQUNGMBZFK-PTFIGZPYSA-N -1 0 522.529 3.928 50 0 biogenic KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)occ3-c1ccc(F)cc1 ZINC000002124920 551771638 /nfs/dbraw/zinc/77/16/38/551771638.db2.gz WCIQUBREBWRSHK-VWLOTQADSA-N -1 0 508.502 3.538 50 0 biogenic KHAARM C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002134698 551773306 /nfs/dbraw/zinc/77/33/06/551773306.db2.gz NACMXIVJYCAUIP-QKVFXAPYSA-N -1 0 510.930 3.701 50 0 biogenic KHAARM C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002134700 551773518 /nfs/dbraw/zinc/77/35/18/551773518.db2.gz NACMXIVJYCAUIP-GTJPDFRWSA-N -1 0 510.930 3.701 50 0 biogenic KHAARM C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002134701 551773456 /nfs/dbraw/zinc/77/34/56/551773456.db2.gz NACMXIVJYCAUIP-LAJNKCICSA-N -1 0 510.930 3.701 50 0 biogenic KHAARM C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002134702 551773533 /nfs/dbraw/zinc/77/35/33/551773533.db2.gz NACMXIVJYCAUIP-XUSGNXJCSA-N -1 0 510.930 3.701 50 0 biogenic KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3cccc4ccccc43)cc2)nc(OC)n1 ZINC000002135467 551773459 /nfs/dbraw/zinc/77/34/59/551773459.db2.gz ZDWGJBRYNKTPRN-UHFFFAOYSA-N -1 0 537.623 3.504 50 0 KHAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c4cc32)cc1 ZINC000002138327 551774213 /nfs/dbraw/zinc/77/42/13/551774213.db2.gz SHLGPEJVYTVBFP-SANMLTNESA-N -1 0 504.539 3.707 50 0 biogenic KHAARM Cc1cc(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002138356 551774238 /nfs/dbraw/zinc/77/42/38/551774238.db2.gz LGRKDENWZSMPQI-NYHFZMIOSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1cc(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002138358 551774244 /nfs/dbraw/zinc/77/42/44/551774244.db2.gz LGRKDENWZSMPQI-QRQCRPRQSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1cc(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002138360 551774222 /nfs/dbraw/zinc/77/42/22/551774222.db2.gz LGRKDENWZSMPQI-OYHNWAKOSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1cc(O[C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002138362 551774234 /nfs/dbraw/zinc/77/42/34/551774234.db2.gz LGRKDENWZSMPQI-IVZQSRNASA-N -1 0 504.539 3.747 50 0 biogenic KHAARM NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc5ccccc54)C3=O)o2)cc1 ZINC000002138424 551774227 /nfs/dbraw/zinc/77/42/27/551774227.db2.gz OBVONTDOOZPQNO-XSFVSMFZSA-N -1 0 503.561 3.579 50 0 KHAARM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000002141881 551774897 /nfs/dbraw/zinc/77/48/97/551774897.db2.gz KMRVCIPRZMCUOU-MFOYZWKCSA-N -1 0 582.372 3.747 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])occ3-c1ccc(Br)cc1 ZINC000002160922 551780702 /nfs/dbraw/zinc/78/07/02/551780702.db2.gz UZLSOSZZIAAPCS-FQEVSTJZSA-N -1 0 570.396 3.838 50 0 biogenic KHAARM Cc1c(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002161081 551780739 /nfs/dbraw/zinc/78/07/39/551780739.db2.gz PHVDLSUNZKMNJY-WNSKOXEYSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1c(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002161083 551780706 /nfs/dbraw/zinc/78/07/06/551780706.db2.gz PHVDLSUNZKMNJY-CMJOXMDJSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1c(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002161086 551780750 /nfs/dbraw/zinc/78/07/50/551780750.db2.gz PHVDLSUNZKMNJY-NPMXOYFQSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1c(O[C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002161088 551780725 /nfs/dbraw/zinc/78/07/25/551780725.db2.gz PHVDLSUNZKMNJY-IQMFZBJNSA-N -1 0 504.539 3.747 50 0 biogenic KHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002161331 551780735 /nfs/dbraw/zinc/78/07/35/551780735.db2.gz QGJYMDGLIUFPFT-NYHFZMIOSA-N -1 0 538.984 3.977 50 0 biogenic KHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C)C(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002161333 551780968 /nfs/dbraw/zinc/78/09/68/551780968.db2.gz QGJYMDGLIUFPFT-OYHNWAKOSA-N -1 0 538.984 3.977 50 0 biogenic KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000002174537 551783100 /nfs/dbraw/zinc/78/31/00/551783100.db2.gz PRKYYRSNDWFECB-BQHBEAIMSA-N -1 0 577.442 3.577 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000002174539 551783064 /nfs/dbraw/zinc/78/30/64/551783064.db2.gz PRKYYRSNDWFECB-CVUKOHAISA-N -1 0 577.442 3.577 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002188931 551788941 /nfs/dbraw/zinc/78/89/41/551788941.db2.gz KETQTWRPOGEMQL-RISWYLRJSA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002188933 551788876 /nfs/dbraw/zinc/78/88/76/551788876.db2.gz KETQTWRPOGEMQL-LMSRTUJASA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002189795 551789324 /nfs/dbraw/zinc/78/93/24/551789324.db2.gz XRXBZEOSLTWRSX-RISWYLRJSA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002189797 551789340 /nfs/dbraw/zinc/78/93/40/551789340.db2.gz XRXBZEOSLTWRSX-LMSRTUJASA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000002189857 551789293 /nfs/dbraw/zinc/78/92/93/551789293.db2.gz QDDWALIBJGJDJU-WLJFKGHSSA-N -1 0 520.588 3.818 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000002189859 551789280 /nfs/dbraw/zinc/78/92/80/551789280.db2.gz QDDWALIBJGJDJU-VLOXRPPESA-N -1 0 520.588 3.818 50 0 KHAARM CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F ZINC000002196008 551791965 /nfs/dbraw/zinc/79/19/65/551791965.db2.gz YHSRVCSUHVYVRU-HXUWFJFHSA-N -1 0 528.534 3.608 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)s1 ZINC000002219243 551795587 /nfs/dbraw/zinc/79/55/87/551795587.db2.gz MVEPFCWTXRBHTK-UHFFFAOYSA-N -1 0 526.463 3.791 50 0 KHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000002226783 551797088 /nfs/dbraw/zinc/79/70/88/551797088.db2.gz AHDVYFYWHFFYMI-UHFFFAOYSA-N -1 0 517.611 3.790 50 0 KHAARM O=C([O-])CNC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2Br)cc1 ZINC000002268855 552085725 /nfs/dbraw/zinc/08/57/25/552085725.db2.gz MSZWNZUNLYOYRS-STZFKDTASA-N -1 0 522.355 3.673 50 0 KHAARM COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002276852 1066193373 /nfs/dbraw/zinc/19/33/73/1066193373.db2.gz VLJZVRJZYNPUBU-NAVNFMRLSA-N -1 0 507.406 3.551 50 0 KHAARM COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000002276854 1066193511 /nfs/dbraw/zinc/19/35/11/1066193511.db2.gz VLJZVRJZYNPUBU-CLEQQJOVSA-N -1 0 507.406 3.551 50 0 KHAARM COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000002277413 551805586 /nfs/dbraw/zinc/80/55/86/551805586.db2.gz GMPAFQSTFARHFP-CEMPLAKHSA-N -1 0 508.502 3.565 50 0 KHAARM COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000002277415 551805546 /nfs/dbraw/zinc/80/55/46/551805546.db2.gz GMPAFQSTFARHFP-PGGUJSHWSA-N -1 0 508.502 3.565 50 0 KHAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000002279627 551805827 /nfs/dbraw/zinc/80/58/27/551805827.db2.gz KFOFWRFWGVVFBS-LDADJPATSA-N -1 0 503.349 3.710 50 0 KHAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000002282092 551806233 /nfs/dbraw/zinc/80/62/33/551806233.db2.gz JBBIPKXRDCZLJG-LDADJPATSA-N -1 0 503.349 3.710 50 0 KHAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O ZINC000002298944 551807423 /nfs/dbraw/zinc/80/74/23/551807423.db2.gz DFVQZBKWXKQTEM-QHCPKHFHSA-N -1 0 545.573 3.946 50 0 KHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1 ZINC000002301795 551808049 /nfs/dbraw/zinc/80/80/49/551808049.db2.gz QLJROTHSUXTLKN-UHFFFAOYSA-N -1 0 502.600 3.716 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002313359 552091852 /nfs/dbraw/zinc/09/18/52/552091852.db2.gz YOYYBLMLLHKXMB-YMSBRDKKSA-N -1 0 532.549 3.896 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002313361 552091856 /nfs/dbraw/zinc/09/18/56/552091856.db2.gz YOYYBLMLLHKXMB-IGSWSUAKSA-N -1 0 532.549 3.896 50 0 KHAARM COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)[O-])n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000002313658 552091865 /nfs/dbraw/zinc/09/18/65/552091865.db2.gz NBKHINYPHZYFRD-BLLLJJGKSA-N -1 0 500.602 3.766 50 0 KHAARM COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)[O-])n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000002313659 552091876 /nfs/dbraw/zinc/09/18/76/552091876.db2.gz NBKHINYPHZYFRD-LRDDRELGSA-N -1 0 500.602 3.766 50 0 KHAARM COc1ccc(-n2c3nnc(S[C@H](C)C(=O)[O-])n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000002313660 552091845 /nfs/dbraw/zinc/09/18/45/552091845.db2.gz NBKHINYPHZYFRD-MLGOLLRUSA-N -1 0 500.602 3.766 50 0 KHAARM COc1ccc(-n2c3nnc(S[C@H](C)C(=O)[O-])n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000002313661 552091849 /nfs/dbraw/zinc/09/18/49/552091849.db2.gz NBKHINYPHZYFRD-WBMJQRKESA-N -1 0 500.602 3.766 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002314171 552092249 /nfs/dbraw/zinc/09/22/49/552092249.db2.gz VGPINWUOYVPHJE-FCKOQQNDSA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002314173 552092190 /nfs/dbraw/zinc/09/21/90/552092190.db2.gz VGPINWUOYVPHJE-DLBLZJNESA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000002315379 552092445 /nfs/dbraw/zinc/09/24/45/552092445.db2.gz SDIHIJLDQSRKDT-WLJFKGHSSA-N -1 0 520.588 3.818 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000002315381 552092348 /nfs/dbraw/zinc/09/23/48/552092348.db2.gz SDIHIJLDQSRKDT-VLOXRPPESA-N -1 0 520.588 3.818 50 0 KHAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1I ZINC000002316451 552092715 /nfs/dbraw/zinc/09/27/15/552092715.db2.gz VDANFSITXSRQAZ-UHFFFAOYSA-N -1 0 544.421 3.675 50 0 KHAARM O=C([O-])CCCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 ZINC000002322870 1066193463 /nfs/dbraw/zinc/19/34/63/1066193463.db2.gz WLFWBEBYSLUKLC-RAXLEYEMSA-N -1 0 500.143 3.557 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000002340183 552097749 /nfs/dbraw/zinc/09/77/49/552097749.db2.gz QCJQJEZEOSMISB-UHFFFAOYSA-N -1 0 520.434 3.784 50 0 KHAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2[nH]c3cc(F)ccc3c2Cl)cc1 ZINC000002340757 552098095 /nfs/dbraw/zinc/09/80/95/552098095.db2.gz NYURJAHDXWBNHX-UHFFFAOYSA-N -1 0 534.982 3.687 50 0 KHAARM COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OCC(=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002373376 552105587 /nfs/dbraw/zinc/10/55/87/552105587.db2.gz OZSYAFJGTUQOHM-FSFYKJEYSA-N -1 0 524.598 3.791 50 0 KHAARM COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OCC(=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002373380 552105673 /nfs/dbraw/zinc/10/56/73/552105673.db2.gz OZSYAFJGTUQOHM-ZUCAMLDZSA-N -1 0 524.598 3.791 50 0 KHAARM Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2)cc1 ZINC000002516899 552126778 /nfs/dbraw/zinc/12/67/78/552126778.db2.gz PHAKSHNECOECCD-SANMLTNESA-N -1 0 531.590 3.963 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)nc(OC)n1 ZINC000002551761 552129220 /nfs/dbraw/zinc/12/92/20/552129220.db2.gz PGMVHIDROGEETP-UHFFFAOYSA-N -1 0 563.661 3.940 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ncnc4c3cnn4Cc3ccccc3)cc2)nc(C)n1 ZINC000002595754 552134285 /nfs/dbraw/zinc/13/42/85/552134285.db2.gz QYMWCTHDOACWIN-UHFFFAOYSA-N -1 0 560.665 3.813 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2)nc(C)n1 ZINC000002604255 552135226 /nfs/dbraw/zinc/13/52/26/552135226.db2.gz BDQCAYSJANLAQU-UHFFFAOYSA-N -1 0 570.722 3.812 50 0 KHAARM COc1ccc(NS(=O)(=O)c2cccc(-c3nnc(SCC(=O)[O-])n3Cc3ccccc3)c2)cc1 ZINC000002618886 552137510 /nfs/dbraw/zinc/13/75/10/552137510.db2.gz COKQPUBUPCOQJG-UHFFFAOYSA-N -1 0 510.597 3.980 50 0 KHAARM COc1ccc(C2=N/C(=C/c3ccc(-c4ccc(S(=O)(=O)[N-]c5ncccn5)cc4)o3)C(=O)O2)cc1 ZINC000002620282 552137941 /nfs/dbraw/zinc/13/79/41/552137941.db2.gz NOFKSOUNVNEBIH-RCCKNPSSSA-N -1 0 502.508 3.891 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000002621773 552138059 /nfs/dbraw/zinc/13/80/59/552138059.db2.gz ZMPFDMGADXQFLN-UHFFFAOYSA-N -1 0 504.549 3.997 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1 ZINC000002622340 552138398 /nfs/dbraw/zinc/13/83/98/552138398.db2.gz SKLYVMVDFHAIGR-UHFFFAOYSA-N -1 0 527.580 3.774 50 0 KHAARM COC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)CCC2 ZINC000002624335 552138388 /nfs/dbraw/zinc/13/83/88/552138388.db2.gz JDTPARPTVIUFPB-UHFFFAOYSA-N -1 0 520.610 3.681 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002640000 552142627 /nfs/dbraw/zinc/14/26/27/552142627.db2.gz WVWAEFZOFFMQRT-UHFFFAOYSA-N -1 0 517.610 3.873 50 0 KHAARM Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)CC2)c1C ZINC000002643952 552144029 /nfs/dbraw/zinc/14/40/29/552144029.db2.gz RSEXZGOCMDHPAU-UHFFFAOYSA-N -1 0 547.724 3.929 50 0 KHAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)o2)cc1 ZINC000002645613 552144879 /nfs/dbraw/zinc/14/48/79/552144879.db2.gz AOMCMKORUHLHLS-UHFFFAOYSA-N 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KHAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1OCc1c(C)noc1C ZINC000002657506 552149648 /nfs/dbraw/zinc/14/96/48/552149648.db2.gz JEHGIUWDYHWTPV-UHFFFAOYSA-N -1 0 509.544 3.722 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cc2)nc(C)n1 ZINC000002680334 552155222 /nfs/dbraw/zinc/15/52/22/552155222.db2.gz JKBKUMVCWJVHIR-UHFFFAOYSA-N -1 0 521.599 3.689 50 0 KHAARM Cc1c(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002697282 552159559 /nfs/dbraw/zinc/15/95/59/552159559.db2.gz XEGKVMICWUIADM-UHFFFAOYSA-N -1 0 500.631 3.551 50 0 KHAARM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000002709320 552160741 /nfs/dbraw/zinc/16/07/41/552160741.db2.gz XVMVSPXZFCLASR-UHFFFAOYSA-N -1 0 531.660 3.649 50 0 KHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)n1 ZINC000002709349 552160718 /nfs/dbraw/zinc/16/07/18/552160718.db2.gz LTXYNNSZMKJGBP-UHFFFAOYSA-N -1 0 563.661 3.980 50 0 KHAARM 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O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003384595 552378673 /nfs/dbraw/zinc/37/86/73/552378673.db2.gz XWGMNKRZWXVZBM-UHFFFAOYSA-N -1 0 540.648 3.948 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003401137 552380851 /nfs/dbraw/zinc/38/08/51/552380851.db2.gz MEHYZQWCSUTBEK-UHFFFAOYSA-N -1 0 504.549 3.997 50 0 KHAARM C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003404836 552380940 /nfs/dbraw/zinc/38/09/40/552380940.db2.gz CNTIWQCMQAQOPR-MSOLQXFVSA-N -1 0 510.568 3.681 50 0 KHAARM COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003409285 552381902 /nfs/dbraw/zinc/38/19/02/552381902.db2.gz QZYQEYBAPBFDRE-UHFFFAOYSA-N -1 0 535.619 3.559 50 0 KHAARM CCOC(=O)c1sc2nc3c(SCCC(=O)[O-])cc(C(=O)c4cc(OC)ccc4O)cn3c(=O)c2c1C ZINC000003426150 552384412 /nfs/dbraw/zinc/38/44/12/552384412.db2.gz WBNVGVTYQBOUQG-UHFFFAOYSA-N -1 0 542.591 3.906 50 0 KHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000003515874 552390652 /nfs/dbraw/zinc/39/06/52/552390652.db2.gz YPKLPZRCRRKRIP-UHFFFAOYSA-N -1 0 506.584 3.936 50 0 KHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4c5ccccc5n(C)c4n3)cc2)c1C ZINC000003623035 552395064 /nfs/dbraw/zinc/39/50/64/552395064.db2.gz WWPSRCGYXMEPKM-UHFFFAOYSA-N -1 0 523.600 3.653 50 0 KHAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3[n-]c2=S)cc1 ZINC000003632309 552397926 /nfs/dbraw/zinc/39/79/26/552397926.db2.gz MOGRBJOWSAUEIR-UHFFFAOYSA-N -1 0 505.596 3.732 50 0 biogenic KHAARM CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)nnc1-c1ccccc1 ZINC000003638785 552399207 /nfs/dbraw/zinc/39/92/07/552399207.db2.gz PFXUZVVVGKTLCD-UHFFFAOYSA-N -1 0 530.035 3.940 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000003667328 1066289854 /nfs/dbraw/zinc/28/98/54/1066289854.db2.gz NCSMQRIZRUWVQD-YOGOOIESSA-N -1 0 549.432 3.828 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000003667330 1066289940 /nfs/dbraw/zinc/28/99/40/1066289940.db2.gz NCSMQRIZRUWVQD-WQLLJXGDSA-N -1 0 549.432 3.828 50 0 KHAARM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1 ZINC000003770669 552416108 /nfs/dbraw/zinc/41/61/08/552416108.db2.gz LTIUFYVMOPWWMY-QKSFETHESA-N -1 0 525.586 3.581 50 0 KHAARM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000003771030 552416309 /nfs/dbraw/zinc/41/63/09/552416309.db2.gz NFJDWLFPKOOQAZ-UHFFFAOYSA-N -1 0 516.851 3.993 50 0 KHAARM CC[C@@H](Cc1c(I)cc(I)c(N)c1I)C(=O)[O-] ZINC000003830949 552419481 /nfs/dbraw/zinc/41/94/81/552419481.db2.gz OIRFJRBSRORBCM-YFKPBYRVSA-N -1 0 570.934 3.736 50 0 world KHAARM CC[C@H](Cc1c(I)cc(I)c(N)c1I)C(=O)[O-] ZINC000003830950 552419493 /nfs/dbraw/zinc/41/94/93/552419493.db2.gz OIRFJRBSRORBCM-RXMQYKEDSA-N -1 0 570.934 3.736 50 0 world KHAARM CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)C(F)(F)F ZINC000003991792 552424859 /nfs/dbraw/zinc/42/48/59/552424859.db2.gz UDMRXCLFWOKOLN-JOCHJYFZSA-N -1 0 587.964 3.603 50 0 KHAARM CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)C(F)(F)F ZINC000003991793 552425171 /nfs/dbraw/zinc/42/51/71/552425171.db2.gz UDMRXCLFWOKOLN-QFIPXVFZSA-N -1 0 587.964 3.603 50 0 KHAARM CCOC(=O)[C@@](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(SCC)s2)cc1)(OCC(F)(F)F)C(F)(F)F ZINC000003991800 552425218 /nfs/dbraw/zinc/42/52/18/552425218.db2.gz GGRIYVFNNRBOPN-QGZVFWFLSA-N -1 0 611.568 3.973 50 0 KHAARM CCOC(=O)[C@](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(SCC)s2)cc1)(OCC(F)(F)F)C(F)(F)F ZINC000003991801 552425164 /nfs/dbraw/zinc/42/51/64/552425164.db2.gz GGRIYVFNNRBOPN-KRWDZBQOSA-N -1 0 611.568 3.973 50 0 KHAARM NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000004006985 552425805 /nfs/dbraw/zinc/42/58/05/552425805.db2.gz SOYMHPXPFITAFZ-UHFFFAOYSA-N -1 0 534.417 3.584 50 0 KHAARM COc1ccc(CC(=O)Nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)cc(C(=O)[O-])c2)cc1OC ZINC000004142024 552442413 /nfs/dbraw/zinc/44/24/13/552442413.db2.gz QNLBLXAYZFPIBB-UHFFFAOYSA-N -1 0 508.527 3.782 50 0 KHAARM CO[C@@H]1[C@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000004245675 552452618 /nfs/dbraw/zinc/45/26/18/552452618.db2.gz YJQPYGGHQPGBLI-CTDWIVFPSA-N -1 0 612.632 3.627 50 0 KHAARM CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(C)C)cc1 ZINC000004522092 552462291 /nfs/dbraw/zinc/46/22/91/552462291.db2.gz HSGFSFXZZOGDHJ-FQEVSTJZSA-N -1 0 502.618 3.736 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)cc2)s1 ZINC000004522221 552462622 /nfs/dbraw/zinc/46/26/22/552462622.db2.gz XVJDPUMQAURDNY-IAGOWNOFSA-N -1 0 563.727 3.820 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)cc2)s1 ZINC000004522223 552462644 /nfs/dbraw/zinc/46/26/44/552462644.db2.gz XVJDPUMQAURDNY-IRXDYDNUSA-N -1 0 563.727 3.820 50 0 KHAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H](C)c1ccccc1 ZINC000004633475 552469190 /nfs/dbraw/zinc/46/91/90/552469190.db2.gz CNTIWQCMQAQOPR-ZWKOTPCHSA-N -1 0 510.568 3.681 50 0 KHAARM C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000004633476 552469464 /nfs/dbraw/zinc/46/94/64/552469464.db2.gz CNTIWQCMQAQOPR-QZTJIDSGSA-N -1 0 510.568 3.681 50 0 KHAARM C[C@H](NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000004633477 552469523 /nfs/dbraw/zinc/46/95/23/552469523.db2.gz CNTIWQCMQAQOPR-ROUUACIJSA-N -1 0 510.568 3.681 50 0 KHAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 ZINC000004647738 552471111 /nfs/dbraw/zinc/47/11/11/552471111.db2.gz XAXKPUVZHKQZHV-QFIPXVFZSA-N -1 0 522.579 3.609 50 0 KHAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 ZINC000004647739 552471164 /nfs/dbraw/zinc/47/11/64/552471164.db2.gz XAXKPUVZHKQZHV-JOCHJYFZSA-N -1 0 522.579 3.609 50 0 KHAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004914454 552489275 /nfs/dbraw/zinc/48/92/75/552489275.db2.gz SZPVITTWZIPPKT-ZEQRLZLVSA-N -1 0 508.596 3.733 50 0 KHAARM CC(=O)CCC(=O)O[C@@H]1C[C@H](n2cnc3c2NC=N[C@@H]3NC(=O)c2ccccc2)O[C@@H]1O[P@@](=O)([O-])Oc1ccc(Cl)cc1 ZINC000005225308 552495553 /nfs/dbraw/zinc/49/55/53/552495553.db2.gz BFXPUCOJJXHAIP-XEZZBHEQSA-N -1 0 631.966 3.950 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005928162 552513128 /nfs/dbraw/zinc/51/31/28/552513128.db2.gz LFJZJAOIFHWEHJ-QDSKXPNFSA-N -1 0 527.618 3.994 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005928220 552513046 /nfs/dbraw/zinc/51/30/46/552513046.db2.gz LFJZJAOIFHWEHJ-OYDLWJJNSA-N -1 0 527.618 3.994 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000005941407 552514083 /nfs/dbraw/zinc/51/40/83/552514083.db2.gz NDXWCBNQILLDJB-XIEYBQDHSA-N -1 0 604.666 3.783 50 0 KHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)c3cccc4c3c2NC4=O)cc1 ZINC000006015844 552519504 /nfs/dbraw/zinc/51/95/04/552519504.db2.gz PHRIWGAVHFJVGI-UHFFFAOYSA-N -1 0 593.643 3.924 50 0 KHAARM O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006023285 552520231 /nfs/dbraw/zinc/52/02/31/552520231.db2.gz OFACRNOHPCOUNB-SFQUDFHCSA-N -1 0 500.583 3.619 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(Br)cc3)cc2)nc(OC)n1 ZINC000006023862 552520634 /nfs/dbraw/zinc/52/06/34/552520634.db2.gz MOBLKAXRWBGIKP-LFYBBSHMSA-N -1 0 578.470 3.584 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)/C(=C/c1cccnc1)NC(=O)c1cccs1 ZINC000006038716 552520857 /nfs/dbraw/zinc/52/08/57/552520857.db2.gz GZZZEAXMTIYRCV-AQTBWJFISA-N -1 0 511.610 3.810 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2)nc(OC)n1 ZINC000006077016 552528280 /nfs/dbraw/zinc/52/82/80/552528280.db2.gz VHIDDOAFESJTGG-VGOFMYFVSA-N -1 0 541.655 3.944 50 0 KHAARM COc1cc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O ZINC000006088364 552530126 /nfs/dbraw/zinc/53/01/26/552530126.db2.gz OTPMEAQHMQVZMG-NRFANRHFSA-N -1 0 559.394 3.594 50 0 KHAARM COc1cc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O ZINC000006088365 552529969 /nfs/dbraw/zinc/52/99/69/552529969.db2.gz OTPMEAQHMQVZMG-OAQYLSRUSA-N -1 0 559.394 3.594 50 0 KHAARM COc1ccc(NC(=O)[C@@H](CCSC)NC(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006093272 552533801 /nfs/dbraw/zinc/53/38/01/552533801.db2.gz IVXLPFMJEKETFC-OAHLLOKOSA-N -1 0 521.448 3.531 50 0 KHAARM COc1ccc(NC(=O)[C@H](CCSC)NC(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006093274 552533794 /nfs/dbraw/zinc/53/37/94/552533794.db2.gz IVXLPFMJEKETFC-HNNXBMFYSA-N -1 0 521.448 3.531 50 0 KHAARM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000006132292 552535200 /nfs/dbraw/zinc/53/52/00/552535200.db2.gz ANMAVMURHLHRCZ-QGZVFWFLSA-N -1 0 540.623 3.531 50 0 KHAARM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000006132294 552535276 /nfs/dbraw/zinc/53/52/76/552535276.db2.gz ANMAVMURHLHRCZ-KRWDZBQOSA-N -1 0 540.623 3.531 50 0 KHAARM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nnc(CC)s3)cc2)cc1 ZINC000006142694 552543965 /nfs/dbraw/zinc/54/39/65/552543965.db2.gz YCNBZPASAWZNDU-UHFFFAOYSA-N -1 0 551.716 3.964 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)nc(OC)n1 ZINC000006142701 552544257 /nfs/dbraw/zinc/54/42/57/552544257.db2.gz ANJOJDYXMKOWHU-UHFFFAOYSA-N -1 0 609.686 3.688 50 0 KHAARM CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)cc(OCC)c1OCC ZINC000006142709 552544145 /nfs/dbraw/zinc/54/41/45/552544145.db2.gz FPKXMMJEUGLKLR-UHFFFAOYSA-N -1 0 546.602 3.743 50 0 KHAARM CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccnc3OC)cc2)cc(OCC)c1OCC ZINC000006142710 552544190 /nfs/dbraw/zinc/54/41/90/552544190.db2.gz ZKYSYBZTKVHBKH-UHFFFAOYSA-N -1 0 516.576 3.734 50 0 KHAARM CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000006142974 552544525 /nfs/dbraw/zinc/54/45/25/552544525.db2.gz BUDXQLDFJFBIKH-UHFFFAOYSA-N -1 0 521.555 3.841 50 0 KHAARM CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000006143016 552544597 /nfs/dbraw/zinc/54/45/97/552544597.db2.gz OSAOCHZBHGGTAT-AWEZNQCLSA-N -1 0 517.510 3.908 50 0 KHAARM CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000006143017 552544629 /nfs/dbraw/zinc/54/46/29/552544629.db2.gz OSAOCHZBHGGTAT-CQSZACIVSA-N -1 0 517.510 3.908 50 0 KHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4cccs4)C3=O)cc2)c1C ZINC000006144185 1066535276 /nfs/dbraw/zinc/53/52/76/1066535276.db2.gz ADUVSGYLXSTNRK-YVLHZVERSA-N -1 0 518.598 3.829 50 0 KHAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006144370 552546394 /nfs/dbraw/zinc/54/63/94/552546394.db2.gz YJCWPWGYSQJABA-FDDCHVKYSA-N -1 0 536.606 3.998 50 0 KHAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006144371 552546431 /nfs/dbraw/zinc/54/64/31/552546431.db2.gz YJCWPWGYSQJABA-WZONZLPQSA-N -1 0 536.606 3.998 50 0 KHAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000006144372 552546396 /nfs/dbraw/zinc/54/63/96/552546396.db2.gz YJCWPWGYSQJABA-MBSDFSHPSA-N -1 0 536.606 3.998 50 0 KHAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000006144373 552546435 /nfs/dbraw/zinc/54/64/35/552546435.db2.gz YJCWPWGYSQJABA-JPYJTQIMSA-N -1 0 536.606 3.998 50 0 KHAARM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146073 552547635 /nfs/dbraw/zinc/54/76/35/552547635.db2.gz ZURXRTUGROLHQW-UHFFFAOYSA-N -1 0 505.593 3.909 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)nc(OC)n1 ZINC000006146386 552548016 /nfs/dbraw/zinc/54/80/16/552548016.db2.gz XUZXTZMQKGSHBD-ATEVHTGXSA-N -1 0 568.611 3.691 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)nc(OC)n1 ZINC000006146387 552547940 /nfs/dbraw/zinc/54/79/40/552547940.db2.gz XUZXTZMQKGSHBD-NBAFEDJBSA-N -1 0 568.611 3.691 50 0 KHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006146640 552548276 /nfs/dbraw/zinc/54/82/76/552548276.db2.gz BXFKGOSXDIJLPG-UHFFFAOYSA-N -1 0 517.604 3.972 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146978 552548571 /nfs/dbraw/zinc/54/85/71/552548571.db2.gz DZGOEIGAXQEHDE-UHFFFAOYSA-N -1 0 503.577 3.663 50 0 KHAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)n1 ZINC000006156053 552552480 /nfs/dbraw/zinc/55/24/80/552552480.db2.gz 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008451475 553061254 /nfs/dbraw/zinc/06/12/54/553061254.db2.gz RAZOAMCZKZXOAB-JFOJXTJISA-N -1 0 637.494 3.594 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008451477 553061308 /nfs/dbraw/zinc/06/13/08/553061308.db2.gz RAZOAMCZKZXOAB-JSLUTMEDSA-N -1 0 637.494 3.594 50 0 KHAARM O=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000008451883 553062228 /nfs/dbraw/zinc/06/22/28/553062228.db2.gz YVDYTGQCWUQJEQ-UHFFFAOYSA-N -1 0 508.049 3.986 50 0 KHAARM CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1OC ZINC000008452463 553063753 /nfs/dbraw/zinc/06/37/53/553063753.db2.gz RKNDFNLIWMEXHG-XSZPGNIMSA-N -1 0 550.633 3.684 50 0 KHAARM CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1OC ZINC000008452465 553063723 /nfs/dbraw/zinc/06/37/23/553063723.db2.gz RKNDFNLIWMEXHG-XXMKCSCWSA-N -1 0 550.633 3.684 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000008455011 553070739 /nfs/dbraw/zinc/07/07/39/553070739.db2.gz NSHNBZPSXXOCEK-MYKRZTLLSA-N -1 0 536.592 3.983 50 0 KHAARM O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000008461791 553075216 /nfs/dbraw/zinc/07/52/16/553075216.db2.gz FROLAIJBRYCYEL-OVCLIPMQSA-N -1 0 510.138 3.768 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000008576626 553078300 /nfs/dbraw/zinc/07/83/00/553078300.db2.gz IDAROYVQKNFVGP-UHFFFAOYSA-N -1 0 514.610 3.997 50 0 KHAARM COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)CCCC5)CC2)cc1 ZINC000008583183 553078905 /nfs/dbraw/zinc/07/89/05/553078905.db2.gz MASSXRHEDIJROK-UHFFFAOYSA-N -1 0 537.638 3.538 50 0 KHAARM CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCC4)CC1 ZINC000008604497 553097437 /nfs/dbraw/zinc/09/74/37/553097437.db2.gz UGECDSZPCUQJQF-UHFFFAOYSA-N -1 0 521.639 3.871 50 0 KHAARM COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)C[C@H](C)CC5)CC2)cc1 ZINC000008609884 553100772 /nfs/dbraw/zinc/10/07/72/553100772.db2.gz DVZJSZGDGZRXGO-GOSISDBHSA-N -1 0 551.665 3.784 50 0 KHAARM COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)C[C@@H](C)CC5)CC2)cc1 ZINC000008609887 553100702 /nfs/dbraw/zinc/10/07/02/553100702.db2.gz DVZJSZGDGZRXGO-SFHVURJKSA-N -1 0 551.665 3.784 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C\c3ccccc3OC)NC(=O)c3ccccc3)cc2)nc(OC)n1 ZINC000008625303 553103875 /nfs/dbraw/zinc/10/38/75/553103875.db2.gz TUXXTKKYDWSVTA-HAVVHWLPSA-N -1 0 589.630 3.713 50 0 KHAARM Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(C)c2c1OC(C)(C)CC2 ZINC000008660389 553108908 /nfs/dbraw/zinc/10/89/08/553108908.db2.gz FOBDSZYESKTHJZ-QFIPXVFZSA-N -1 0 574.700 3.678 50 0 KHAARM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008685516 553114599 /nfs/dbraw/zinc/11/45/99/553114599.db2.gz AZPWNADOCZIEAW-UHFFFAOYSA-N -1 0 533.603 3.759 50 0 KHAARM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000008686765 553115883 /nfs/dbraw/zinc/11/58/83/553115883.db2.gz KTYDASGRMVDRBQ-UHFFFAOYSA-N -1 0 551.593 3.898 50 0 KHAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000008686834 553116089 /nfs/dbraw/zinc/11/60/89/553116089.db2.gz FAFIQMQIJLEIEB-UHFFFAOYSA-N -1 0 556.087 3.784 50 0 aggregator KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 ZINC000008686885 553116116 /nfs/dbraw/zinc/11/61/16/553116116.db2.gz GOUYYZGGLRRORJ-AWEZNQCLSA-N -1 0 513.959 3.773 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 ZINC000008686887 553116082 /nfs/dbraw/zinc/11/60/82/553116082.db2.gz GOUYYZGGLRRORJ-CQSZACIVSA-N -1 0 513.959 3.773 50 0 KHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)N3CCCC3)c2)cc1Cl ZINC000008694003 553119055 /nfs/dbraw/zinc/11/90/55/553119055.db2.gz SZCUXBKNXVCOJR-ZDUSSCGKSA-N -1 0 531.414 3.979 50 0 KHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)N3CCCC3)c2)cc1Cl ZINC000008694004 553119119 /nfs/dbraw/zinc/11/91/19/553119119.db2.gz SZCUXBKNXVCOJR-CYBMUJFWSA-N -1 0 531.414 3.979 50 0 KHAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCN(c5ccc(Cl)cc5)C[C@@H]43)C2=O)cc1 ZINC000008694615 553119975 /nfs/dbraw/zinc/11/99/75/553119975.db2.gz AGBIDCNUBOAWSN-UFHPHHKVSA-N -1 0 516.985 3.869 50 0 KHAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccc(Cl)cc5)C[C@@H]43)C2=O)cc1 ZINC000008694616 553119993 /nfs/dbraw/zinc/11/99/93/553119993.db2.gz AGBIDCNUBOAWSN-YWEHKCAJSA-N -1 0 516.985 3.869 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@@H]4CC(=O)OC45CCCCC5)cc3)cc2)nc(OC)n1 ZINC000008695393 553121676 /nfs/dbraw/zinc/12/16/76/553121676.db2.gz LJMIXCNHGIBFBU-QFIPXVFZSA-N -1 0 609.661 3.751 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H]4CC(=O)OC45CCCCC5)cc3)cc2)nc(OC)n1 ZINC000008695394 553121722 /nfs/dbraw/zinc/12/17/22/553121722.db2.gz LJMIXCNHGIBFBU-JOCHJYFZSA-N -1 0 609.661 3.751 50 0 KHAARM COc1cc(CNC(Nc2ccccc2)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000008757634 553136462 /nfs/dbraw/zinc/13/64/62/553136462.db2.gz OFMFPOLIVUPMRK-BZZOAKBMSA-N -1 0 516.554 3.717 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)NCCCC(=O)[O-])c1ccccc1)OC(C)(C)CC3 ZINC000008765487 553138142 /nfs/dbraw/zinc/13/81/42/553138142.db2.gz LPSBFCZNCAZFCI-SANMLTNESA-N -1 0 520.582 3.586 50 0 biogenic KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C(=O)NCCCC(=O)[O-])c1ccccc1)OC(C)(C)CC3 ZINC000008765488 553138145 /nfs/dbraw/zinc/13/81/45/553138145.db2.gz LPSBFCZNCAZFCI-AREMUKBSSA-N -1 0 520.582 3.586 50 0 biogenic KHAARM O=C1[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C1=C(NCCc1c[nH]cn1)Nc1ccc(Cl)cc1 ZINC000008775458 553142387 /nfs/dbraw/zinc/14/23/87/553142387.db2.gz GARUEQMGIRJIEG-HNENSFHCSA-N -1 0 518.883 3.821 50 0 KHAARM CC(C)[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000008783346 553144992 /nfs/dbraw/zinc/14/49/92/553144992.db2.gz PUZXFVZVCKXPAJ-WQMJKPAKSA-N -1 0 514.170 3.801 50 0 KHAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008789937 553146135 /nfs/dbraw/zinc/14/61/35/553146135.db2.gz KHOCOOUZFBYHSL-VXKWHMMOSA-N -1 0 515.651 3.562 50 0 biogenic KHAARM COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)NCCCCCC(=O)[O-])c3ccccc3)c(=O)oc2c1C ZINC000008790402 553146389 /nfs/dbraw/zinc/14/63/89/553146389.db2.gz SZGIUAYWLPFQBG-RUZDIDTESA-N -1 0 508.571 3.580 50 0 biogenic KHAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)cc1 ZINC000008790412 553146453 /nfs/dbraw/zinc/14/64/53/553146453.db2.gz AAHFTDQOFKQOHX-JYFHCDHNSA-N -1 0 508.534 3.774 50 0 biogenic KHAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)cc1 ZINC000008790413 553146625 /nfs/dbraw/zinc/14/66/25/553146625.db2.gz AAHFTDQOFKQOHX-OZXSUGGESA-N -1 0 508.534 3.774 50 0 biogenic KHAARM CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790674 553146578 /nfs/dbraw/zinc/14/65/78/553146578.db2.gz KHOCOOUZFBYHSL-YADHBBJMSA-N -1 0 515.651 3.562 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000008790797 553146560 /nfs/dbraw/zinc/14/65/60/553146560.db2.gz AZJYINMKJJVQRG-HJNYFJLDSA-N -1 0 515.651 3.562 50 0 biogenic KHAARM CC(C)C[C@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000008790981 553146824 /nfs/dbraw/zinc/14/68/24/553146824.db2.gz UYKSEYIDBQCQEI-FCHUYYIVSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008791288 553147027 /nfs/dbraw/zinc/14/70/27/553147027.db2.gz ABRWFMLENFYTRW-HJNYFJLDSA-N -1 0 515.651 3.562 50 0 biogenic KHAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000008791353 553147060 /nfs/dbraw/zinc/14/70/60/553147060.db2.gz YPFWGPLAAOKCQT-VXKWHMMOSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000008791492 553147021 /nfs/dbraw/zinc/14/70/21/553147021.db2.gz UYKSEYIDBQCQEI-YADHBBJMSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C)C(=O)NCCCC(=O)[O-])occ3-c1ccccc1 ZINC000008791767 553147272 /nfs/dbraw/zinc/14/72/72/553147272.db2.gz QBXSJCAHMMQDFS-QGZVFWFLSA-N -1 0 504.539 3.933 50 0 biogenic KHAARM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000008816369 553151838 /nfs/dbraw/zinc/15/18/38/553151838.db2.gz VUQCYZLXUKVIIA-XKZIYDEJSA-N -1 0 515.522 3.812 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008837097 553163741 /nfs/dbraw/zinc/16/37/41/553163741.db2.gz SLLFRGFUJSGQFU-WLGHQHAYSA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008837098 553163683 /nfs/dbraw/zinc/16/36/83/553163683.db2.gz SLLFRGFUJSGQFU-NLZIUFDSSA-N -1 0 514.559 3.757 50 0 KHAARM Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nc21 ZINC000008846624 553166320 /nfs/dbraw/zinc/16/63/20/553166320.db2.gz MALPGBGUIOMGKV-UHFFFAOYSA-N -1 0 511.614 3.505 50 0 KHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(=O)[O-])c(=O)oc1c2C ZINC000008876186 553175083 /nfs/dbraw/zinc/17/50/83/553175083.db2.gz DUIGTZOOFVOSJN-HSZRJFAPSA-N -1 0 518.566 3.715 50 0 biogenic KHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCC(=O)[O-])c(=O)oc1c2C ZINC000008876189 553175056 /nfs/dbraw/zinc/17/50/56/553175056.db2.gz KINPWTJGBZGWDP-HSZRJFAPSA-N -1 0 518.566 3.715 50 0 biogenic KHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc1c2C ZINC000008876264 553175118 /nfs/dbraw/zinc/17/51/18/553175118.db2.gz GWJPZODEJKTZCR-MBSDFSHPSA-N -1 0 518.566 3.714 50 0 biogenic KHAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](C)C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000008876338 553175117 /nfs/dbraw/zinc/17/51/17/553175117.db2.gz WVOQHODGGNWHQF-UZUQRXQVSA-N -1 0 518.566 3.632 50 0 biogenic KHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C(=O)NCCC(=O)[O-])c3ccccc3)c(=O)oc1c2C ZINC000008876427 553175381 /nfs/dbraw/zinc/17/53/81/553175381.db2.gz PZUZQYJXORKZLZ-XMMPIXPASA-N -1 0 504.539 3.845 50 0 biogenic KHAARM CC(C)c1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Br)s1 ZINC000008916543 553186848 /nfs/dbraw/zinc/18/68/48/553186848.db2.gz YTUSHQPKHOOLBC-UHFFFAOYSA-N -1 0 500.375 3.579 50 0 KHAARM CC(C)[C@@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000008934141 553192691 /nfs/dbraw/zinc/19/26/91/553192691.db2.gz PUZXFVZVCKXPAJ-LRFDDAOPSA-N -1 0 514.170 3.801 50 0 KHAARM CCOC(=O)c1cccc(NC(=S)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)c1 ZINC000009019193 553200982 /nfs/dbraw/zinc/20/09/82/553200982.db2.gz QOWNEECSMAEHNH-UHFFFAOYSA-N -1 0 526.590 3.554 50 0 KHAARM COc1cc2c(cc1OC)[C@H](C)N(C(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1)CC2 ZINC000009033925 553201737 /nfs/dbraw/zinc/20/17/37/553201737.db2.gz CCRREUMPZXLATQ-AWEZNQCLSA-N -1 0 501.992 3.847 50 0 biogenic KHAARM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)NCCCC(=O)[O-])cc2)cc1 ZINC000009034281 553202092 /nfs/dbraw/zinc/20/20/92/553202092.db2.gz QTFRNNFECXQSLS-HKOYGPOVSA-N -1 0 522.579 3.515 50 0 KHAARM CCOC(=O)c1ccc(NC(=S)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)cc1 ZINC000009086525 553208507 /nfs/dbraw/zinc/20/85/07/553208507.db2.gz WLVKZOBEDLNYTB-UHFFFAOYSA-N -1 0 526.590 3.554 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000009109272 553209936 /nfs/dbraw/zinc/20/99/36/553209936.db2.gz VGPINWUOYVPHJE-WLGHQHAYSA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000009109273 553209937 /nfs/dbraw/zinc/20/99/37/553209937.db2.gz VGPINWUOYVPHJE-NLZIUFDSSA-N -1 0 514.559 3.757 50 0 KHAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)NN2c2ccccc2)cc1OC ZINC000009123893 553212614 /nfs/dbraw/zinc/21/26/14/553212614.db2.gz BDUWHVLXHXGONT-YDYXIROLSA-N -1 0 512.566 3.735 50 0 KHAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)NN2c2ccccc2)cc1OC ZINC000009123894 553212555 /nfs/dbraw/zinc/21/25/55/553212555.db2.gz BDUWHVLXHXGONT-YMGIJWJESA-N -1 0 512.566 3.735 50 0 KHAARM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000009128730 553213034 /nfs/dbraw/zinc/21/30/34/553213034.db2.gz KIMFLLMQJHJXMT-VXKWHMMOSA-N -1 0 515.651 3.562 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(=O)NCCCC(=O)[O-])CC1)oc1c3CCCC1 ZINC000009128778 553213088 /nfs/dbraw/zinc/21/30/88/553213088.db2.gz LQMLKOBIRBTNPP-UHFFFAOYSA-N -1 0 522.598 3.879 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000009128847 553213053 /nfs/dbraw/zinc/21/30/53/553213053.db2.gz LWKNIXVXJVKAJC-HJNYFJLDSA-N -1 0 515.651 3.562 50 0 KHAARM CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1 ZINC000009144539 553213686 /nfs/dbraw/zinc/21/36/86/553213686.db2.gz FUAXUTONTYSFHP-VLOXRPPESA-N -1 0 508.621 3.607 50 0 KHAARM COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000009183487 553216804 /nfs/dbraw/zinc/21/68/04/553216804.db2.gz VLJZVRJZYNPUBU-XIDKLXSXSA-N -1 0 507.406 3.551 50 0 KHAARM COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000009183488 553216850 /nfs/dbraw/zinc/21/68/50/553216850.db2.gz VLJZVRJZYNPUBU-GFWHJHDHSA-N -1 0 507.406 3.551 50 0 KHAARM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCC(=O)[O-] ZINC000009235788 553225321 /nfs/dbraw/zinc/22/53/21/553225321.db2.gz KBNHIBVYPVGVBV-VXLYETTFSA-N -1 0 502.570 3.946 50 0 KHAARM COc1c(N2CCN(C(=S)NCc3ccccc3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000009307877 553237135 /nfs/dbraw/zinc/23/71/35/553237135.db2.gz RJUHANIGRUFSBE-MRXNPFEDSA-N -1 0 524.618 3.768 50 0 aggregator KHAARM COc1c(N2CCN(C(=S)NCc3ccccc3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000009307878 553237150 /nfs/dbraw/zinc/23/71/50/553237150.db2.gz RJUHANIGRUFSBE-INIZCTEOSA-N -1 0 524.618 3.768 50 0 aggregator KHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000009311551 553239712 /nfs/dbraw/zinc/23/97/12/553239712.db2.gz SIEJCEULEWQMKQ-RQZCQDPDSA-N -1 0 505.346 3.896 50 0 KHAARM COc1ccc(CNC(=O)c2c([O-])c3cc(Br)cc(Br)c3[nH]c2=O)cc1OC ZINC000009318905 553241387 /nfs/dbraw/zinc/24/13/87/553241387.db2.gz WWIIWBFWLOLMIK-UHFFFAOYSA-N -1 0 512.154 3.706 50 0 KHAARM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1C ZINC000009319308 553241370 /nfs/dbraw/zinc/24/13/70/553241370.db2.gz DEUSVPYTQSGOBO-UHFFFAOYSA-N -1 0 508.419 3.713 50 0 KHAARM Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c1C ZINC000009319313 553241394 /nfs/dbraw/zinc/24/13/94/553241394.db2.gz SMQXJKSSWMGFHX-UHFFFAOYSA-N -1 0 508.419 3.713 50 0 KHAARM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c(C)c1 ZINC000009319317 553241336 /nfs/dbraw/zinc/24/13/36/553241336.db2.gz POAXASPVZMKSER-UHFFFAOYSA-N -1 0 508.419 3.713 50 0 KHAARM CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000009319337 553241378 /nfs/dbraw/zinc/24/13/78/553241378.db2.gz JDOJNGAGKSKANW-UHFFFAOYSA-N -1 0 506.049 3.962 50 0 KHAARM O=C([O-])CCCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000009330869 553242705 /nfs/dbraw/zinc/24/27/05/553242705.db2.gz JBBIPKXRDCZLJG-PDGQHHTCSA-N -1 0 503.349 3.710 50 0 KHAARM O=c1c(C(c2cccc3ccccc32)c2c(O)nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2 ZINC000009334921 553243328 /nfs/dbraw/zinc/24/33/28/553243328.db2.gz ITJZWUZDFYQZAX-UHFFFAOYSA-N -1 0 506.609 3.536 50 0 KHAARM Cc1ccc(S(=O)(=O)N(C(=O)NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000009354666 553246170 /nfs/dbraw/zinc/24/61/70/553246170.db2.gz ZBGYLTCLISXGEY-UHFFFAOYSA-N -1 0 514.025 3.780 50 0 KHAARM COc1ccc(NC(=O)c2cnn3c2N=C(c2c([O-])cc(C)oc2=O)C[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000009410243 553257515 /nfs/dbraw/zinc/25/75/15/553257515.db2.gz HODRLCQHIQADDP-FQEVSTJZSA-N -1 0 516.510 3.939 50 0 KHAARM COc1ccc(NC(=O)c2cnn3c2N=C(c2c([O-])cc(C)oc2=O)C[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000009410244 553257497 /nfs/dbraw/zinc/25/74/97/553257497.db2.gz HODRLCQHIQADDP-HXUWFJFHSA-N -1 0 516.510 3.939 50 0 KHAARM CC(=O)c1ccc(NC(=S)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)cc1 ZINC000009428644 553260841 /nfs/dbraw/zinc/26/08/41/553260841.db2.gz PBBRWNVSAIELEW-UHFFFAOYSA-N -1 0 508.575 3.895 50 0 KHAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000009430329 553260958 /nfs/dbraw/zinc/26/09/58/553260958.db2.gz KIMFLLMQJHJXMT-YADHBBJMSA-N -1 0 515.651 3.562 50 0 KHAARM CCCCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc4c(c3)OCO4)C(=O)C=CC(=O)[O-])C2=O)cc1 ZINC000009434715 553263989 /nfs/dbraw/zinc/26/39/89/553263989.db2.gz ZRVQUTZIPSKQDD-CHHLAKQQSA-N -1 0 522.554 3.676 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC45CC6CC(CC(C6)C4)C5)CC3)cc21 ZINC000009465029 553269519 /nfs/dbraw/zinc/26/95/19/553269519.db2.gz WYDGETRYQJEJJG-UHFFFAOYSA-N -1 0 512.651 3.824 50 0 KHAARM COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(=O)[O-])cc1OC ZINC000009474750 553271657 /nfs/dbraw/zinc/27/16/57/553271657.db2.gz RNGOUOVGRKNCLW-UHFFFAOYSA-N -1 0 519.645 3.571 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc2nc2c1CCCC2 ZINC000009490501 553273937 /nfs/dbraw/zinc/27/39/37/553273937.db2.gz ONESEGWSAHFWSB-UHFFFAOYSA-N -1 0 507.612 3.529 50 0 KHAARM CCOC(=O)c1ccc(NC(=O)COC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CCCC2)cc1 ZINC000009529619 553277110 /nfs/dbraw/zinc/27/71/10/553277110.db2.gz XSRQHVUWEZYUQO-UHFFFAOYSA-N -1 0 527.599 3.708 50 0 KHAARM COc1cc(NC(=O)COC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CCCC2)cc(OC)c1 ZINC000009529620 553277146 /nfs/dbraw/zinc/27/71/46/553277146.db2.gz CLSVXLRXVJDDHK-UHFFFAOYSA-N -1 0 515.588 3.548 50 0 KHAARM CCCCc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1 ZINC000009599491 553285686 /nfs/dbraw/zinc/28/56/86/553285686.db2.gz ZMAMVPDTENMPSY-UHFFFAOYSA-N -1 0 511.604 3.695 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)nc(OC)n1 ZINC000009782618 553308195 /nfs/dbraw/zinc/30/81/95/553308195.db2.gz TVFAOAMCIKSKCX-UHFFFAOYSA-N -1 0 517.614 3.635 50 0 KHAARM O=C([O-])COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1I ZINC000009845978 553311440 /nfs/dbraw/zinc/31/14/40/553311440.db2.gz XWOWOKDSMIUOQS-OVCLIPMQSA-N -1 0 512.687 3.501 50 0 KHAARM C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5cccs5)CC4)cc3c(C(=O)[O-])c2C1 ZINC000009970041 553322320 /nfs/dbraw/zinc/32/23/20/553322320.db2.gz CBFRNPZMFFARFY-MRXNPFEDSA-N -1 0 527.668 3.836 50 0 KHAARM C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5cccs5)CC4)cc3c(C(=O)[O-])c2C1 ZINC000009970042 553322275 /nfs/dbraw/zinc/32/22/75/553322275.db2.gz CBFRNPZMFFARFY-INIZCTEOSA-N -1 0 527.668 3.836 50 0 KHAARM C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCCC5)CC4)cc3c(C(=O)[O-])c2C1 ZINC000009970043 553322323 /nfs/dbraw/zinc/32/23/23/553322323.db2.gz NVGFCHFUTAGAED-GOSISDBHSA-N -1 0 513.660 3.861 50 0 KHAARM C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCCC5)CC4)cc3c(C(=O)[O-])c2C1 ZINC000009970044 553322337 /nfs/dbraw/zinc/32/23/37/553322337.db2.gz NVGFCHFUTAGAED-SFHVURJKSA-N -1 0 513.660 3.861 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)ccc2nc2c1CCCC2 ZINC000009970054 553322300 /nfs/dbraw/zinc/32/23/00/553322300.db2.gz HDOZPNISAJPPGJ-UHFFFAOYSA-N -1 0 513.641 3.590 50 0 KHAARM C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)CCCC5)CC2)C1 ZINC000009970055 553322293 /nfs/dbraw/zinc/32/22/93/553322293.db2.gz WXBUXNYITIGVCJ-HDICACEKSA-N -1 0 513.660 3.717 50 0 KHAARM C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)CCCC5)CC2)C1 ZINC000009970056 553322314 /nfs/dbraw/zinc/32/23/14/553322314.db2.gz WXBUXNYITIGVCJ-ROUUACIJSA-N -1 0 513.660 3.717 50 0 KHAARM C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)CCCC5)CC2)C1 ZINC000009970057 553322344 /nfs/dbraw/zinc/32/23/44/553322344.db2.gz WXBUXNYITIGVCJ-QZTJIDSGSA-N -1 0 513.660 3.717 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc2nc2c1CCCCC2 ZINC000009970059 553322340 /nfs/dbraw/zinc/32/23/40/553322340.db2.gz HRYYEONPWZWNPV-UHFFFAOYSA-N -1 0 521.639 3.919 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)ccc2nc2c1CCCCC2 ZINC000009970063 553322335 /nfs/dbraw/zinc/32/23/35/553322335.db2.gz FXDJWGVUIPHRLB-UHFFFAOYSA-N -1 0 511.600 3.512 50 0 KHAARM CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1 ZINC000009970065 553322575 /nfs/dbraw/zinc/32/25/75/553322575.db2.gz FMHIZWTXCVHHEQ-UHFFFAOYSA-N -1 0 501.649 3.765 50 0 KHAARM CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1 ZINC000009970071 553322546 /nfs/dbraw/zinc/32/25/46/553322546.db2.gz BLAZEQJXPQDAEB-UHFFFAOYSA-N -1 0 531.675 3.534 50 0 KHAARM CO[C@@H]1[C@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000011616153 553339537 /nfs/dbraw/zinc/33/95/37/553339537.db2.gz YJQPYGGHQPGBLI-TXGFFYAOSA-N -1 0 612.632 3.627 50 0 world KHAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c4cc32)cc1 ZINC000011865446 553346681 /nfs/dbraw/zinc/34/66/81/553346681.db2.gz SHLGPEJVYTVBFP-AREMUKBSSA-N -1 0 504.539 3.707 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)occ3-c1ccc(F)cc1 ZINC000011865576 553346686 /nfs/dbraw/zinc/34/66/86/553346686.db2.gz WCIQUBREBWRSHK-RUZDIDTESA-N -1 0 508.502 3.538 50 0 KHAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000011865577 553346671 /nfs/dbraw/zinc/34/66/71/553346671.db2.gz JAYUEQUNGMBZFK-RMKBEBRYSA-N -1 0 522.529 3.928 50 0 KHAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000011865588 553346689 /nfs/dbraw/zinc/34/66/89/553346689.db2.gz KQVQJEYMNYDMMF-QWXGXRTQSA-N -1 0 504.539 3.789 50 0 KHAARM Cc1nc(-c2coc3cc(OCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)[O-])ccc3c2=O)cs1 ZINC000011865719 553346777 /nfs/dbraw/zinc/34/67/77/553346777.db2.gz OAJROMWWXSUTBD-OAQYLSRUSA-N -1 0 503.536 3.897 50 0 KHAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000011866864 553347143 /nfs/dbraw/zinc/34/71/43/553347143.db2.gz YVSUSAHYHIZWGH-RDPSFJRHSA-N -1 0 502.608 3.579 50 0 KHAARM COc1cccc(-c2cn3c(C(=O)Nc4ccc(S(=O)(=O)[N-]c5ncccn5)cc4)csc3n2)c1 ZINC000011902307 553348480 /nfs/dbraw/zinc/34/84/80/553348480.db2.gz HZLMTXBIKLYJEQ-UHFFFAOYSA-N -1 0 506.569 3.915 50 0 KHAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012137070 553351717 /nfs/dbraw/zinc/35/17/17/553351717.db2.gz UPLZYKGJDVRBCG-UHFFFAOYSA-N -1 0 507.612 3.586 50 0 KHAARM Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000012140427 553352348 /nfs/dbraw/zinc/35/23/48/553352348.db2.gz HOSRSAJIMGBQAX-UHFFFAOYSA-N -1 0 500.314 3.920 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3C)cc2)nc(OC)n1 ZINC000012293898 553356817 /nfs/dbraw/zinc/35/68/17/553356817.db2.gz DBVXNQQKSLVYJM-UHFFFAOYSA-N -1 0 506.968 3.582 50 0 KHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1F ZINC000012311264 553357227 /nfs/dbraw/zinc/35/72/27/553357227.db2.gz YJEJNIMEMJPEPA-UHFFFAOYSA-N -1 0 505.593 3.746 50 0 KHAARM COc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000012368136 553359871 /nfs/dbraw/zinc/35/98/71/553359871.db2.gz MISSYQVZHPVIOY-UHFFFAOYSA-N -1 0 511.526 3.877 50 0 KHAARM CC(C)c1nn2c(nc([O-])c(C(c3cccs3)c3c(O)nc4sc(C(C)C)nn4c3=O)c2=O)s1 ZINC000012401765 553362587 /nfs/dbraw/zinc/36/25/87/553362587.db2.gz SLTRVOHELKIIDW-UHFFFAOYSA-N -1 0 516.630 3.515 50 0 KHAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1I ZINC000012403998 553362924 /nfs/dbraw/zinc/36/29/24/553362924.db2.gz FXJLWWAXBMRTQV-UHFFFAOYSA-N -1 0 513.313 3.649 50 0 KHAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(Br)c1 ZINC000012404009 553362877 /nfs/dbraw/zinc/36/28/77/553362877.db2.gz AOTIJRJDDSCFRJ-UHFFFAOYSA-N -1 0 505.394 3.983 50 0 KHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(C)c1 ZINC000012485875 553377651 /nfs/dbraw/zinc/37/76/51/553377651.db2.gz NBJSQNIPJXGRAY-UHFFFAOYSA-N -1 0 501.605 3.728 50 0 KHAARM CN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1Cl ZINC000012497335 553381875 /nfs/dbraw/zinc/38/18/75/553381875.db2.gz GEKNWYREMDRGCU-UHFFFAOYSA-N -1 0 511.984 3.783 50 0 KHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012497903 553382001 /nfs/dbraw/zinc/38/20/01/553382001.db2.gz FEMQOLBSYYJZTA-UHFFFAOYSA-N -1 0 517.604 3.972 50 0 KHAARM CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012498321 553382233 /nfs/dbraw/zinc/38/22/33/553382233.db2.gz HCJSQDAORNTQHH-UHFFFAOYSA-N -1 0 505.593 3.909 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1C ZINC000012520893 553382554 /nfs/dbraw/zinc/38/25/54/553382554.db2.gz IEPOFWLYOBWUHS-XMMPIXPASA-N -1 0 527.618 3.747 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1C ZINC000012520894 553382501 /nfs/dbraw/zinc/38/25/01/553382501.db2.gz IEPOFWLYOBWUHS-DEOSSOPVSA-N -1 0 527.618 3.747 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1N1CCOCC1 ZINC000012529506 553385633 /nfs/dbraw/zinc/38/56/33/553385633.db2.gz PSJUCYFUPUGXFT-UHFFFAOYSA-N -1 0 526.615 3.732 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)ccc1Cl ZINC000012530661 553386040 /nfs/dbraw/zinc/38/60/40/553386040.db2.gz PBQCFCOENFIEII-UHFFFAOYSA-N -1 0 513.959 3.774 50 0 KHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1 ZINC000012532494 553386825 /nfs/dbraw/zinc/38/68/25/553386825.db2.gz IGHJCMDGKSAPSD-UHFFFAOYSA-N -1 0 505.662 3.855 50 0 KHAARM COc1ccc(C2=N/C(=C\c3ccc(-c4ccc(S(=O)(=O)[N-]c5ncccn5)cc4)o3)C(=O)O2)cc1 ZINC000012533270 553387409 /nfs/dbraw/zinc/38/74/09/553387409.db2.gz NOFKSOUNVNEBIH-QNGOZBTKSA-N -1 0 502.508 3.891 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000012541276 553389230 /nfs/dbraw/zinc/38/92/30/553389230.db2.gz DFDKBWCUTQSOMY-UHFFFAOYSA-N -1 0 513.959 3.774 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)ccc1C ZINC000012544744 553391231 /nfs/dbraw/zinc/39/12/31/553391231.db2.gz PGSWFLGQCMHFJO-OAQYLSRUSA-N -1 0 515.657 3.669 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccc1C ZINC000012544745 553391204 /nfs/dbraw/zinc/39/12/04/553391204.db2.gz PGSWFLGQCMHFJO-NRFANRHFSA-N -1 0 515.657 3.669 50 0 KHAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000012546633 553391653 /nfs/dbraw/zinc/39/16/53/553391653.db2.gz MYFBAXJVDOSDCQ-CYBMUJFWSA-N -1 0 514.025 3.906 50 0 KHAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000012546634 553391556 /nfs/dbraw/zinc/39/15/56/553391556.db2.gz MYFBAXJVDOSDCQ-ZDUSSCGKSA-N -1 0 514.025 3.906 50 0 KHAARM CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4OC)c3)CC2=O)cc1 ZINC000012546646 553391658 /nfs/dbraw/zinc/39/16/58/553391658.db2.gz SLPOHYHDGFNJDT-SFHVURJKSA-N -1 0 509.584 3.886 50 0 KHAARM CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4OC)c3)CC2=O)cc1 ZINC000012546647 553391872 /nfs/dbraw/zinc/39/18/72/553391872.db2.gz SLPOHYHDGFNJDT-GOSISDBHSA-N -1 0 509.584 3.886 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1 ZINC000012546666 553391876 /nfs/dbraw/zinc/39/18/76/553391876.db2.gz MQMZYPYMNUANLW-UHFFFAOYSA-N -1 0 524.599 3.543 50 0 KHAARM NS(=O)(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc2)c1 ZINC000012548991 553392530 /nfs/dbraw/zinc/39/25/30/553392530.db2.gz VJQKVEMFGBUYQV-UHFFFAOYSA-N -1 0 506.414 3.755 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NC(=O)c2ccco2)ccc1N1CCCC1 ZINC000012561722 553394805 /nfs/dbraw/zinc/39/48/05/553394805.db2.gz QYDLNOHNKGLWML-UHFFFAOYSA-N -1 0 500.602 3.816 50 0 KHAARM O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000012561728 553394793 /nfs/dbraw/zinc/39/47/93/553394793.db2.gz LRWZEJRQCWFFON-UHFFFAOYSA-N -1 0 517.610 3.873 50 0 KHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012562635 553394953 /nfs/dbraw/zinc/39/49/53/553394953.db2.gz BRHAAQBBTKTJOX-UHFFFAOYSA-N -1 0 514.003 3.828 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012562850 553395170 /nfs/dbraw/zinc/39/51/70/553395170.db2.gz FNDIVOLZLHQJHS-UHFFFAOYSA-N -1 0 515.613 3.533 50 0 KHAARM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012563137 553395563 /nfs/dbraw/zinc/39/55/63/553395563.db2.gz MDBAKPYVHVDQBI-UHFFFAOYSA-N -1 0 503.577 3.663 50 0 KHAARM CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012563577 553395854 /nfs/dbraw/zinc/39/58/54/553395854.db2.gz XMWHNEIWTADAAU-UHFFFAOYSA-N -1 0 520.608 3.738 50 0 KHAARM O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012564504 553396272 /nfs/dbraw/zinc/39/62/72/553396272.db2.gz WRUVJCDSYRATPG-UHFFFAOYSA-N -1 0 514.412 3.711 50 0 KHAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCc2ccccc21 ZINC000012565668 553396769 /nfs/dbraw/zinc/39/67/69/553396769.db2.gz HHDRRYSUAWHUDM-GOSISDBHSA-N -1 0 522.579 3.783 50 0 KHAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCc2ccccc21 ZINC000012565669 553396758 /nfs/dbraw/zinc/39/67/58/553396758.db2.gz HHDRRYSUAWHUDM-SFHVURJKSA-N -1 0 522.579 3.783 50 0 KHAARM CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000012565940 553396996 /nfs/dbraw/zinc/39/69/96/553396996.db2.gz UWRDMIXYSUFJSP-UHFFFAOYSA-N -1 0 503.646 3.508 50 0 KHAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(=O)N2CCOCC2)c1C ZINC000012634845 553406315 /nfs/dbraw/zinc/40/63/15/553406315.db2.gz RVVPAVDLFZAYSD-LJQANCHMSA-N -1 0 502.633 3.806 50 0 KHAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C ZINC000012634847 553406333 /nfs/dbraw/zinc/40/63/33/553406333.db2.gz RVVPAVDLFZAYSD-IBGZPJMESA-N -1 0 502.633 3.806 50 0 KHAARM O=C([O-])c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(SCn3nnc4ccccc4c3=O)nc2c1 ZINC000012641623 553408280 /nfs/dbraw/zinc/40/82/80/553408280.db2.gz NBXVJXOAJVASMT-UHFFFAOYSA-N -1 0 509.906 3.731 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C34C[C@H]5C[C@@H](C3)CC(n3cnc(Cl)n3)(C5)C4)cc2)no1 ZINC000012649616 553409352 /nfs/dbraw/zinc/40/93/52/553409352.db2.gz HWPVFVMKOCNGIF-IWENEADUSA-N -1 0 517.011 3.963 50 0 KHAARM COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000012658170 553411005 /nfs/dbraw/zinc/41/10/05/553411005.db2.gz VZMSNBDYUTUXAH-UHFFFAOYSA-N -1 0 509.993 3.909 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012659723 553411521 /nfs/dbraw/zinc/41/15/21/553411521.db2.gz XQTUNLGDJJZEPO-UHFFFAOYSA-N -1 0 510.977 3.721 50 0 KHAARM CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012876937 553424940 /nfs/dbraw/zinc/42/49/40/553424940.db2.gz ZFZSSNJEHXIXAP-TYPXCFOJSA-N -1 0 502.571 3.560 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000012883205 553425786 /nfs/dbraw/zinc/42/57/86/553425786.db2.gz PRSSXAGTWUPFHZ-FCEUIQTBSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000012883212 553425820 /nfs/dbraw/zinc/42/58/20/553425820.db2.gz PRSSXAGTWUPFHZ-NNWRFLSQSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000012883306 553425754 /nfs/dbraw/zinc/42/57/54/553425754.db2.gz CHNINZUPRUGESY-FCEUIQTBSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000012883316 553425757 /nfs/dbraw/zinc/42/57/57/553425757.db2.gz CHNINZUPRUGESY-NNWRFLSQSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000012884094 553426020 /nfs/dbraw/zinc/42/60/20/553426020.db2.gz PRSSXAGTWUPFHZ-HJNYFJLDSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000012884100 553425995 /nfs/dbraw/zinc/42/59/95/553425995.db2.gz PRSSXAGTWUPFHZ-BVSLBCMMSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC(C)C[C@@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-] ZINC000012884253 553426002 /nfs/dbraw/zinc/42/60/02/553426002.db2.gz UYKSEYIDBQCQEI-FGZHOGPDSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000012884502 553426000 /nfs/dbraw/zinc/42/60/00/553426000.db2.gz AZJYINMKJJVQRG-BVSLBCMMSA-N -1 0 515.651 3.562 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000012885177 553426148 /nfs/dbraw/zinc/42/61/48/553426148.db2.gz CHNINZUPRUGESY-HJNYFJLDSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000012885186 553426151 /nfs/dbraw/zinc/42/61/51/553426151.db2.gz CHNINZUPRUGESY-BVSLBCMMSA-N -1 0 517.667 3.712 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012886392 553426122 /nfs/dbraw/zinc/42/61/22/553426122.db2.gz ABRWFMLENFYTRW-BVSLBCMMSA-N -1 0 515.651 3.562 50 0 biogenic KHAARM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012935803 553427961 /nfs/dbraw/zinc/42/79/61/553427961.db2.gz YRQRZXBVZOAVMU-TWSLPJAOSA-N -1 0 520.392 3.723 50 0 KHAARM C[C@H](OC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012935811 553427967 /nfs/dbraw/zinc/42/79/67/553427967.db2.gz YRQRZXBVZOAVMU-OWFXSXJRSA-N -1 0 520.392 3.723 50 0 KHAARM O=C([O-])C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1cc(Br)cc(Br)c1OC2=O ZINC000013017230 553432999 /nfs/dbraw/zinc/43/29/99/553432999.db2.gz PUUSCKANKZEDLS-BJOHPYRUSA-N -1 0 507.181 3.579 50 0 KHAARM O=C([O-])C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1cc(Br)cc(Br)c1OC2=O ZINC000013017232 553433028 /nfs/dbraw/zinc/43/30/28/553433028.db2.gz PUUSCKANKZEDLS-VFZGTOFNSA-N -1 0 507.181 3.579 50 0 KHAARM O=C([O-])C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1cc(Br)cc(Br)c1OC2=O ZINC000013017235 553433053 /nfs/dbraw/zinc/43/30/53/553433053.db2.gz PUUSCKANKZEDLS-RFAUZJTJSA-N -1 0 507.181 3.579 50 0 KHAARM O=C([O-])C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1cc(Br)cc(Br)c1OC2=O ZINC000013017238 553432994 /nfs/dbraw/zinc/43/29/94/553432994.db2.gz PUUSCKANKZEDLS-PSLIRLAXSA-N -1 0 507.181 3.579 50 0 KHAARM Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1S(=O)(=O)N(C)C ZINC000013022303 553433406 /nfs/dbraw/zinc/43/34/06/553433406.db2.gz ZDBHSDDPBPXNAP-UHFFFAOYSA-N -1 0 529.688 3.755 50 0 KHAARM CCc1c(C)sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)c1C(=O)OC ZINC000013081218 553445035 /nfs/dbraw/zinc/44/50/35/553445035.db2.gz RVZYJZUPAJXXTO-UHFFFAOYSA-N -1 0 521.646 3.814 50 0 KHAARM O=C([O-])c1ccccc1C(=O)NCCCCSC1=NN=C2c3ccccc3N[C@H]2N1C[C@@H]1CCCO1 ZINC000013113440 553448596 /nfs/dbraw/zinc/44/85/96/553448596.db2.gz IMRGTFAJUIERAQ-SBUREZEXSA-N -1 0 507.616 3.635 50 0 KHAARM O=C([O-])c1ccccc1C(=O)NCCCCSC1=NN=C2c3ccccc3N[C@@H]2N1C[C@@H]1CCCO1 ZINC000013113443 553448533 /nfs/dbraw/zinc/44/85/33/553448533.db2.gz IMRGTFAJUIERAQ-GAJHUEQPSA-N -1 0 507.616 3.635 50 0 KHAARM O=C([O-])c1ccccc1C(=O)NCCCCSC1=NN=C2c3ccccc3N[C@H]2N1C[C@H]1CCCO1 ZINC000013113445 553448624 /nfs/dbraw/zinc/44/86/24/553448624.db2.gz IMRGTFAJUIERAQ-HXOBKFHXSA-N -1 0 507.616 3.635 50 0 KHAARM O=C([O-])c1ccccc1C(=O)NCCCCSC1=NN=C2c3ccccc3N[C@@H]2N1C[C@H]1CCCO1 ZINC000013113448 553448627 /nfs/dbraw/zinc/44/86/27/553448627.db2.gz IMRGTFAJUIERAQ-UZUQRXQVSA-N -1 0 507.616 3.635 50 0 KHAARM CCCC[C@@H](NC(=O)COc1cc2occ(-c3nncn3-c3ccccc3)c(=O)c2cc1CC)C(=O)[O-] ZINC000013115361 553448745 /nfs/dbraw/zinc/44/87/45/553448745.db2.gz KDXIYQFNFFGHSI-OAQYLSRUSA-N -1 0 504.543 3.742 50 0 KHAARM CCCC[C@H](NC(=O)COc1cc2occ(-c3nncn3-c3ccccc3)c(=O)c2cc1CC)C(=O)[O-] ZINC000013115363 553448990 /nfs/dbraw/zinc/44/89/90/553448990.db2.gz KDXIYQFNFFGHSI-NRFANRHFSA-N -1 0 504.543 3.742 50 0 KHAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C(=O)OC)c1C ZINC000013129232 553450589 /nfs/dbraw/zinc/45/05/89/553450589.db2.gz CYOCFUQVJVFAIO-HNNXBMFYSA-N -1 0 516.597 3.922 50 0 KHAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C(=O)OC)c1C ZINC000013129233 553450594 /nfs/dbraw/zinc/45/05/94/553450594.db2.gz CYOCFUQVJVFAIO-OAHLLOKOSA-N -1 0 516.597 3.922 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000013131434 553451398 /nfs/dbraw/zinc/45/13/98/553451398.db2.gz RMUUGPCOHVMVSZ-UHFFFAOYSA-N -1 0 515.613 3.533 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)cc2)nc(C)n1 ZINC000013134457 553452074 /nfs/dbraw/zinc/45/20/74/553452074.db2.gz UXNRHKRDFQMHFE-QFIPXVFZSA-N -1 0 517.558 3.566 50 0 KHAARM COc1cccc(CC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000013137274 553453184 /nfs/dbraw/zinc/45/31/84/553453184.db2.gz MMZDQBADMMKAIW-UHFFFAOYSA-N -1 0 511.600 3.522 50 0 KHAARM CCc1cc2c(cc1OCC(=O)NCCCCCC(=O)[O-])occ(-c1nncn1-c1ccccc1)c2=O ZINC000013137990 553453449 /nfs/dbraw/zinc/45/34/49/553453449.db2.gz VZQKAUIXONPGSL-UHFFFAOYSA-N -1 0 504.543 3.743 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CNC(=O)c2cccs2)ccc1N1CCCC1 ZINC000013137995 553453456 /nfs/dbraw/zinc/45/34/56/553453456.db2.gz FARVBWUTNXDXLB-UHFFFAOYSA-N -1 0 514.629 3.526 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2OC)c1 ZINC000013145918 553454839 /nfs/dbraw/zinc/45/48/39/553454839.db2.gz BFGGATBYXNDFQN-UHFFFAOYSA-N -1 0 500.573 3.794 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1N1CCOCC1 ZINC000013146304 553455133 /nfs/dbraw/zinc/45/51/33/553455133.db2.gz AFLUVDJBFKSIQV-UHFFFAOYSA-N -1 0 527.599 3.602 50 0 KHAARM Cc1nn(-c2ccccc2)c(C)c1P(=Nc1ccccc1C(=O)[O-])(N1CCOCC1)N1CCOCC1 ZINC000013302944 553458129 /nfs/dbraw/zinc/45/81/29/553458129.db2.gz USDGZKFUDQCAMG-UHFFFAOYSA-N -1 0 509.547 3.840 50 0 KHAARM O=C([O-])CCCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000013424567 553459365 /nfs/dbraw/zinc/45/93/65/553459365.db2.gz KFOFWRFWGVVFBS-PDGQHHTCSA-N -1 0 503.349 3.710 50 0 KHAARM O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)N1CCN(c2ccccc2)CC1 ZINC000013496835 553464355 /nfs/dbraw/zinc/46/43/55/553464355.db2.gz IHCCCMNEDYKTIF-UHFFFAOYSA-N -1 0 500.580 3.798 50 0 KHAARM O=C(NCc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013544018 553469712 /nfs/dbraw/zinc/46/97/12/553469712.db2.gz OLIXZBOJPXTPBI-UHFFFAOYSA-N -1 0 511.551 3.663 50 0 KHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(OC)c(OC)c1OC)NC(=O)c1ccccc1 ZINC000013575726 553474880 /nfs/dbraw/zinc/47/48/80/553474880.db2.gz XDFAJWGBUBCRCT-ZHZULCJRSA-N -1 0 506.511 3.829 50 0 KHAARM COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2OC)c(OC)c(OC)c1 ZINC000013575735 553474853 /nfs/dbraw/zinc/47/48/53/553474853.db2.gz QUXRBMSWQFXURL-STZFKDTASA-N -1 0 506.511 3.829 50 0 KHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cc(OC)c(OC)cc1OC)NC(=O)c1ccccc1 ZINC000013575813 553474858 /nfs/dbraw/zinc/47/48/58/553474858.db2.gz HLFRYMDPAWWGDA-MOSHPQCFSA-N -1 0 506.511 3.829 50 0 KHAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)NC(=O)c1ccccc1 ZINC000013575868 553474875 /nfs/dbraw/zinc/47/48/75/553474875.db2.gz YURJFLXSXPJQOY-NDENLUEZSA-N -1 0 506.511 3.829 50 0 KHAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000013576504 553475043 /nfs/dbraw/zinc/47/50/43/553475043.db2.gz XIEMAQXUZIUYRW-VXKWHMMOSA-N -1 0 515.651 3.562 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)N1CCC(C(=O)[O-])CC1)occ3-c1ccccc1 ZINC000013576848 553475196 /nfs/dbraw/zinc/47/51/96/553475196.db2.gz HDPWQXSJMGPGRT-UHFFFAOYSA-N -1 0 516.550 3.887 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000013591129 553476973 /nfs/dbraw/zinc/47/69/73/553476973.db2.gz LWKNIXVXJVKAJC-BVSLBCMMSA-N -1 0 515.651 3.562 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CC(C)C)C(=O)NCCCC(=O)[O-])oc1c3CCCC1 ZINC000013591197 553477042 /nfs/dbraw/zinc/47/70/42/553477042.db2.gz ZXCBTISWISQFTD-NRFANRHFSA-N -1 0 510.587 3.781 50 0 KHAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC(C(=O)NCCCC(=O)[O-])CC4)c(=O)oc3c2C)c1C ZINC000013591447 553477037 /nfs/dbraw/zinc/47/70/37/553477037.db2.gz CNKXSXREPNUCQU-UHFFFAOYSA-N -1 0 510.587 3.925 50 0 KHAARM O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000013603244 553477443 /nfs/dbraw/zinc/47/74/43/553477443.db2.gz OFACRNOHPCOUNB-ATVHPVEESA-N -1 0 500.583 3.619 50 0 KHAARM CC[C@@H](NC(=O)[C@@H](CC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000013609582 553477495 /nfs/dbraw/zinc/47/74/95/553477495.db2.gz JDCGOUFRTAIEDO-NHCUHLMSSA-N -1 0 512.603 3.546 50 0 KHAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000013609586 553477573 /nfs/dbraw/zinc/47/75/73/553477573.db2.gz JDCGOUFRTAIEDO-RTWAWAEBSA-N -1 0 512.603 3.546 50 0 KHAARM CC[C@@H](NC(=O)[C@H](CC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000013609591 553477524 /nfs/dbraw/zinc/47/75/24/553477524.db2.gz JDCGOUFRTAIEDO-LEWJYISDSA-N -1 0 512.603 3.546 50 0 KHAARM CC[C@H](NC(=O)[C@H](CC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000013609594 553477504 /nfs/dbraw/zinc/47/75/04/553477504.db2.gz JDCGOUFRTAIEDO-SFTDATJTSA-N -1 0 512.603 3.546 50 0 KHAARM O=C([O-])COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000013647815 553480175 /nfs/dbraw/zinc/48/01/75/553480175.db2.gz LWOPKGAFZJDJTB-GLSAMTQTSA-N -1 0 500.601 3.844 50 0 KHAARM O=C([O-])COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000013647818 553480206 /nfs/dbraw/zinc/48/02/06/553480206.db2.gz LWOPKGAFZJDJTB-WDONWYDGSA-N -1 0 500.601 3.844 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000013897362 553495028 /nfs/dbraw/zinc/49/50/28/553495028.db2.gz SLLFRGFUJSGQFU-DLBLZJNESA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000013897365 553495059 /nfs/dbraw/zinc/49/50/59/553495059.db2.gz SLLFRGFUJSGQFU-FCKOQQNDSA-N -1 0 514.559 3.757 50 0 KHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)c=3c2=O)cc1 ZINC000013959414 553497738 /nfs/dbraw/zinc/49/77/38/553497738.db2.gz IYSCPNWELIZLAB-IEUSDUHPSA-N -1 0 506.566 3.920 50 0 KHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O ZINC000013959436 553497728 /nfs/dbraw/zinc/49/77/28/553497728.db2.gz ONHOSMOWWQDRKT-HYZYYIOASA-N -1 0 506.566 3.975 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000013959676 553497906 /nfs/dbraw/zinc/49/79/06/553497906.db2.gz TYBYZVMWOIUZKT-DOEKTCAHSA-N -1 0 522.565 3.675 50 0 KHAARM O=C([O-])Cn1cnc2ccc(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cc2c1=O ZINC000014632712 553518947 /nfs/dbraw/zinc/51/89/47/553518947.db2.gz VZGHGQCDHTXSNJ-UHFFFAOYSA-N -1 0 510.550 3.552 50 0 KHAARM CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000014879999 553520709 /nfs/dbraw/zinc/52/07/09/553520709.db2.gz YJQPYGGHQPGBLI-KGSXXDOSSA-N -1 0 612.632 3.627 50 0 biogenic,world KHAARM COc1cc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)ccc1OCC(=O)[O-] ZINC000015015610 553525760 /nfs/dbraw/zinc/52/57/60/553525760.db2.gz DQNQEUDCDNVKKC-GOSISDBHSA-N -1 0 505.350 3.998 50 0 KHAARM COc1cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)ccc1OCC(=O)[O-] ZINC000015015611 553525757 /nfs/dbraw/zinc/52/57/57/553525757.db2.gz DQNQEUDCDNVKKC-SFHVURJKSA-N -1 0 505.350 3.998 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1 ZINC000015636992 553533913 /nfs/dbraw/zinc/53/39/13/553533913.db2.gz XWKOLPYDFMIRPQ-UHFFFAOYSA-N -1 0 505.691 3.931 50 0 KHAARM CC(C)(C)OC(=O)N(C(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)OC(C)(C)C ZINC000015721683 553534910 /nfs/dbraw/zinc/53/49/10/553534910.db2.gz JPAFLNQLLBSLFL-KRWDZBQOSA-N -1 0 508.572 3.843 50 0 KHAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000015838068 553537501 /nfs/dbraw/zinc/53/75/01/553537501.db2.gz VZJAYVIRQNDOOF-UHFFFAOYSA-N -1 0 513.572 3.769 50 0 KHAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccccc2C)cc1 ZINC000015838070 553537626 /nfs/dbraw/zinc/53/76/26/553537626.db2.gz IYYZYIFOZKZKBD-UHFFFAOYSA-N -1 0 509.609 3.939 50 0 KHAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2cccc(F)c2)cc1 ZINC000015838072 553537601 /nfs/dbraw/zinc/53/76/01/553537601.db2.gz PDJKLJVJDJRCBE-UHFFFAOYSA-N -1 0 513.572 3.769 50 0 KHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1 ZINC000015911976 553541505 /nfs/dbraw/zinc/54/15/05/553541505.db2.gz PDEBKYQFYOWWOS-UHFFFAOYSA-N -1 0 520.677 3.670 50 0 KHAARM COc1cccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000015913580 553542117 /nfs/dbraw/zinc/54/21/17/553542117.db2.gz UCOMMJBNRMNQQC-JLHYYAGUSA-N -1 0 523.611 3.993 50 0 KHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2OC)cc1 ZINC000015914022 553542173 /nfs/dbraw/zinc/54/21/73/553542173.db2.gz UYTDUPDQNRGQIY-UHFFFAOYSA-N -1 0 508.556 3.626 50 0 KHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000015919303 553542220 /nfs/dbraw/zinc/54/22/20/553542220.db2.gz CUVSMLCDYZKCME-UHFFFAOYSA-N -1 0 521.043 3.585 50 0 KHAARM COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000015936832 553543060 /nfs/dbraw/zinc/54/30/60/553543060.db2.gz RNEXYVCGGGLVIO-HYARGMPZSA-N -1 0 515.522 3.812 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000015959734 1066328370 /nfs/dbraw/zinc/32/83/70/1066328370.db2.gz RTHMMTAZZBIVGK-VFRFXQOFSA-N -1 0 522.598 3.824 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000015959735 553546921 /nfs/dbraw/zinc/54/69/21/553546921.db2.gz RTHMMTAZZBIVGK-VOFHVUKISA-N -1 0 522.598 3.824 50 0 biogenic KHAARM COc1cccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)c1 ZINC000015962849 553547209 /nfs/dbraw/zinc/54/72/09/553547209.db2.gz ADFQVBGUPIOXRT-UHFFFAOYSA-N -1 0 510.616 3.706 50 0 KHAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)(c2ccccc2)CC1 ZINC000015968968 553547293 /nfs/dbraw/zinc/54/72/93/553547293.db2.gz DMHIQYRGKQLSBK-BJKOFHAPSA-N -1 0 535.641 3.888 50 0 biogenic KHAARM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc2ccccc2c1 ZINC000015978142 553548004 /nfs/dbraw/zinc/54/80/04/553548004.db2.gz OGNPXANAIIIDBS-UHFFFAOYSA-N -1 0 515.657 3.652 50 0 KHAARM C[C@@H]1CN(C(=O)COC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000015981656 553548882 /nfs/dbraw/zinc/54/88/82/553548882.db2.gz RBBKNCAXKAEJBW-CHWSQXEVSA-N -1 0 519.378 3.726 50 0 KHAARM C[C@@H]1CN(C(=O)COC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000015981660 553548893 /nfs/dbraw/zinc/54/88/93/553548893.db2.gz RBBKNCAXKAEJBW-BETUJISGSA-N -1 0 519.378 3.726 50 0 KHAARM C[C@H]1CN(C(=O)COC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000015981663 553548877 /nfs/dbraw/zinc/54/88/77/553548877.db2.gz RBBKNCAXKAEJBW-STQMWFEESA-N -1 0 519.378 3.726 50 0 KHAARM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)[O-])c2ccccc2)(c2ccccc2)CC1 ZINC000016033157 553551593 /nfs/dbraw/zinc/55/15/93/553551593.db2.gz ZHKPUONSZGPVRU-BJKOFHAPSA-N -1 0 535.641 3.888 50 0 KHAARM CCOc1cc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000016043802 553553426 /nfs/dbraw/zinc/55/34/26/553553426.db2.gz WMZNGFJATQSIGG-RCCKNPSSSA-N -1 0 531.609 3.945 50 0 KHAARM COc1ccc(C[C@@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000016293259 553559266 /nfs/dbraw/zinc/55/92/66/553559266.db2.gz QAPKFMPSMIQBCP-NDEPHWFRSA-N -1 0 503.555 3.861 50 0 KHAARM COc1ccc(C[C@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000016293262 553559238 /nfs/dbraw/zinc/55/92/38/553559238.db2.gz QAPKFMPSMIQBCP-MUUNZHRXSA-N -1 0 503.555 3.861 50 0 KHAARM COc1cc(C[C@@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293360 553559391 /nfs/dbraw/zinc/55/93/91/553559391.db2.gz HNHMGAGWQHPYDP-MHZLTWQESA-N -1 0 507.518 3.691 50 0 KHAARM COc1cc(C[C@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293363 553559442 /nfs/dbraw/zinc/55/94/42/553559442.db2.gz HNHMGAGWQHPYDP-HHHXNRCGSA-N -1 0 507.518 3.691 50 0 KHAARM COc1cc(C[C@@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000016293614 553559401 /nfs/dbraw/zinc/55/94/01/553559401.db2.gz COPQEPDMDAYYPS-NDEPHWFRSA-N -1 0 503.555 3.861 50 0 KHAARM COc1cc(C[C@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000016293616 553559439 /nfs/dbraw/zinc/55/94/39/553559439.db2.gz COPQEPDMDAYYPS-MUUNZHRXSA-N -1 0 503.555 3.861 50 0 KHAARM COc1cc(C[C@@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293661 553559447 /nfs/dbraw/zinc/55/94/47/553559447.db2.gz BPHBVORMMUZMAZ-MHZLTWQESA-N -1 0 507.518 3.691 50 0 KHAARM COc1cc(C[C@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293663 553559419 /nfs/dbraw/zinc/55/94/19/553559419.db2.gz BPHBVORMMUZMAZ-HHHXNRCGSA-N -1 0 507.518 3.691 50 0 KHAARM CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000016361476 553560991 /nfs/dbraw/zinc/56/09/91/553560991.db2.gz XGWXZIYSTBFFJV-FQEVSTJZSA-N -1 0 509.506 3.999 50 0 KHAARM CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000016361478 553561007 /nfs/dbraw/zinc/56/10/07/553561007.db2.gz XGWXZIYSTBFFJV-HXUWFJFHSA-N -1 0 509.506 3.999 50 0 KHAARM COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)[O-] ZINC000016362924 553561375 /nfs/dbraw/zinc/56/13/75/553561375.db2.gz NQTFUXVPNFFVMH-FQEVSTJZSA-N -1 0 520.405 3.661 50 0 KHAARM COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)[O-] ZINC000016362925 553561388 /nfs/dbraw/zinc/56/13/88/553561388.db2.gz NQTFUXVPNFFVMH-HXUWFJFHSA-N -1 0 520.405 3.661 50 0 KHAARM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)[O-] ZINC000016382376 553561512 /nfs/dbraw/zinc/56/15/12/553561512.db2.gz DRHDIAHNWTUDOH-IBGZPJMESA-N -1 0 504.337 3.578 50 0 KHAARM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)[O-] ZINC000016382379 553561557 /nfs/dbraw/zinc/56/15/57/553561557.db2.gz DRHDIAHNWTUDOH-LJQANCHMSA-N -1 0 504.337 3.578 50 0 KHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1I ZINC000016425558 553562965 /nfs/dbraw/zinc/56/29/65/553562965.db2.gz VZBVLZMHRPKLOJ-UHFFFAOYSA-N -1 0 512.325 3.624 50 0 KHAARM COc1cc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2C(C)=O)cc(OC)c1OC ZINC000017028888 553586971 /nfs/dbraw/zinc/58/69/71/553586971.db2.gz PEKDVDZCFYUPOK-IMGOXIFKSA-N -1 0 514.922 3.541 50 0 KHAARM CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000017045533 553587361 /nfs/dbraw/zinc/58/73/61/553587361.db2.gz BTVGCEKXCBYAQS-VWPQPMDRSA-N -1 0 512.632 3.763 50 0 KHAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000017056778 553587600 /nfs/dbraw/zinc/58/76/00/553587600.db2.gz JBQIHOASDQXPJU-GNKBHMEESA-N -1 0 528.609 3.603 50 0 biogenic KHAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000017057316 553587547 /nfs/dbraw/zinc/58/75/47/553587547.db2.gz HHFGRBVNICWEBY-CAOCKLPOSA-N -1 0 514.582 3.733 50 0 biogenic KHAARM CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000017057319 553587550 /nfs/dbraw/zinc/58/75/50/553587550.db2.gz HHFGRBVNICWEBY-ICDZXHCJSA-N -1 0 514.582 3.733 50 0 KHAARM CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000017057325 553587563 /nfs/dbraw/zinc/58/75/63/553587563.db2.gz HHFGRBVNICWEBY-QLBJFCOMSA-N -1 0 514.582 3.733 50 0 KHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccn(OCc2cccc(Cl)c2)c1=O ZINC000017149963 553589375 /nfs/dbraw/zinc/58/93/75/553589375.db2.gz VUKVFHOXLCIWHF-UHFFFAOYSA-N -1 0 516.988 3.640 50 0 KHAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1 ZINC000017307270 553593091 /nfs/dbraw/zinc/59/30/91/553593091.db2.gz BXUUHFKXJWYBLO-UHFFFAOYSA-N -1 0 513.620 3.963 50 0 KHAARM COc1ccccc1N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)cc2)CC1 ZINC000017337573 553593653 /nfs/dbraw/zinc/59/36/53/553593653.db2.gz NBAKCLWCYCIRII-UHFFFAOYSA-N -1 0 530.606 3.807 50 0 KHAARM CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(OCC)c(OCC)cc4[n-]c3=S)cc2)CC1 ZINC000017337613 553593595 /nfs/dbraw/zinc/59/35/95/553593595.db2.gz DZYVWFGHSYJFFE-UHFFFAOYSA-N -1 0 540.642 3.819 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000017413581 553595398 /nfs/dbraw/zinc/59/53/98/553595398.db2.gz ZRKNTBZKTMDLDC-AYRHNUGRSA-N -1 0 526.528 3.505 50 0 aggregator KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc(Br)cnc4[nH]3)cc2)nc(C)n1 ZINC000017527856 553597399 /nfs/dbraw/zinc/59/73/99/553597399.db2.gz QFQBOCPWVOZXHL-UHFFFAOYSA-N -1 0 548.448 3.659 50 0 KHAARM CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000017611745 553599018 /nfs/dbraw/zinc/59/90/18/553599018.db2.gz YJQPYGGHQPGBLI-ONJQCEQUSA-N -1 0 612.632 3.627 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc(Cl)cnc4[nH]3)cc2)nc(C)n1 ZINC000017968523 553601126 /nfs/dbraw/zinc/60/11/26/553601126.db2.gz DCLMXVIZNXHKQF-UHFFFAOYSA-N -1 0 503.997 3.550 50 0 KHAARM CC(C)CCCn1c([O-])c([C@@H]2c3ccccc3Oc3[nH]c(=O)n(CCCC(C)C)c(=O)c32)c(=O)[nH]c1=O ZINC000018039712 553601980 /nfs/dbraw/zinc/60/19/80/553601980.db2.gz LEZQFTRFGQNYHH-IBGZPJMESA-N -1 0 510.591 3.663 50 0 KHAARM CC(C)CCCn1c([O-])c([C@H]2c3ccccc3Oc3[nH]c(=O)n(CCCC(C)C)c(=O)c32)c(=O)[nH]c1=O ZINC000018039713 553602242 /nfs/dbraw/zinc/60/22/42/553602242.db2.gz LEZQFTRFGQNYHH-LJQANCHMSA-N -1 0 510.591 3.663 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=S)N=NC3c3cc(-c4cccs4)n[nH]3)cc2)n1 ZINC000018191315 553608182 /nfs/dbraw/zinc/60/81/82/553608182.db2.gz IKWRSNIOFBGNRI-UHFFFAOYSA-N -1 0 510.630 3.882 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000019891942 553630376 /nfs/dbraw/zinc/63/03/76/553630376.db2.gz LFJZJAOIFHWEHJ-HUVFLSCGSA-N -1 0 527.618 3.994 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000019891945 553630394 /nfs/dbraw/zinc/63/03/94/553630394.db2.gz LFJZJAOIFHWEHJ-ZTCOLXNVSA-N -1 0 527.618 3.994 50 0 KHAARM CCCCCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc4c(c3)OCO4)C(=O)C=CC(=O)[O-])C2=O)cc1 ZINC000020130416 553591420 /nfs/dbraw/zinc/59/14/20/553591420.db2.gz ZRVQUTZIPSKQDD-GNNUASRNSA-N -1 0 522.554 3.676 50 0 KHAARM CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@H](C)CC4)CC1 ZINC000020355700 553641926 /nfs/dbraw/zinc/64/19/26/553641926.db2.gz CKGVBCCUELGWIS-QGZVFWFLSA-N -1 0 501.649 3.621 50 0 KHAARM CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@@H](C)CC4)CC1 ZINC000020355701 553641939 /nfs/dbraw/zinc/64/19/39/553641939.db2.gz CKGVBCCUELGWIS-KRWDZBQOSA-N -1 0 501.649 3.621 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2nc2c1CCCC2 ZINC000020355717 553641950 /nfs/dbraw/zinc/64/19/50/553641950.db2.gz PAWFWVPJHIKUTB-UHFFFAOYSA-N -1 0 521.639 3.571 50 0 KHAARM CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000020355896 553642016 /nfs/dbraw/zinc/64/20/16/553642016.db2.gz CSZULZOMKYRQND-UHFFFAOYSA-N -1 0 508.419 3.658 50 0 KHAARM CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c1 ZINC000020355897 553641896 /nfs/dbraw/zinc/64/18/96/553641896.db2.gz VWAQDWSWAKBVJJ-UHFFFAOYSA-N -1 0 508.419 3.658 50 0 KHAARM CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1 ZINC000020355898 553641983 /nfs/dbraw/zinc/64/19/83/553641983.db2.gz MNDCPINZLZJOBW-UHFFFAOYSA-N -1 0 508.419 3.658 50 0 KHAARM COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1OC ZINC000020355905 553641992 /nfs/dbraw/zinc/64/19/92/553641992.db2.gz KSFZRLMOGORWMO-UHFFFAOYSA-N -1 0 517.629 3.648 50 0 KHAARM Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1 ZINC000020395572 553645678 /nfs/dbraw/zinc/64/56/78/553645678.db2.gz CTSVKVWXHAAAPG-UHFFFAOYSA-N -1 0 503.053 3.758 50 0 KHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)s1 ZINC000020522242 553669165 /nfs/dbraw/zinc/66/91/65/553669165.db2.gz UVPJWLDADMZNIV-UHFFFAOYSA-N -1 0 501.449 3.832 50 0 KHAARM CCOc1ccc(CCNC(=O)CCC2=Nc3cc(C(F)(F)F)ccc3S(=O)(=O)[N-]2)cc1OCC ZINC000020618533 553681036 /nfs/dbraw/zinc/68/10/36/553681036.db2.gz OEUIQBPEFFZRHY-UHFFFAOYSA-N -1 0 513.538 3.964 50 0 KHAARM CCOC(=O)N1CCN(C(=O)CCCCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)CC1 ZINC000020644213 553684082 /nfs/dbraw/zinc/68/40/82/553684082.db2.gz OBIAFGSRXGFBPN-UHFFFAOYSA-N -1 0 511.442 3.683 50 0 KHAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCN(c2ccccn2)CC1 ZINC000020644222 553684063 /nfs/dbraw/zinc/68/40/63/553684063.db2.gz AZYJPSPPADXKDY-UHFFFAOYSA-N -1 0 516.465 3.752 50 0 KHAARM COc1ccccc1N1CCN(C(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000020644431 553684753 /nfs/dbraw/zinc/68/47/53/553684753.db2.gz SXDMTFGSSIJKPL-UHFFFAOYSA-N -1 0 510.616 3.706 50 0 KHAARM CC(=O)c1ccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)cc1 ZINC000020644433 553684748 /nfs/dbraw/zinc/68/47/48/553684748.db2.gz MKNYRGSVIUOHOI-UHFFFAOYSA-N -1 0 522.627 3.900 50 0 KHAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020644454 553684570 /nfs/dbraw/zinc/68/45/70/553684570.db2.gz CJOZTYVXRAXVLC-UHFFFAOYSA-N -1 0 520.533 3.936 50 0 KHAARM O=C(C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020644506 553684638 /nfs/dbraw/zinc/68/46/38/553684638.db2.gz OBWIBAGDLKXXAA-UHFFFAOYSA-N -1 0 520.655 3.939 50 0 KHAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)c2cc1OCC ZINC000020644648 553684758 /nfs/dbraw/zinc/68/47/58/553684758.db2.gz LMWJPUJUCMHMKK-UHFFFAOYSA-N -1 0 526.659 3.994 50 0 KHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC ZINC000020644694 553684604 /nfs/dbraw/zinc/68/46/04/553684604.db2.gz DKLCUVPGRGVIDD-UHFFFAOYSA-N -1 0 501.605 3.623 50 0 KHAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)c2cc1OCC ZINC000020644709 553685066 /nfs/dbraw/zinc/68/50/66/553685066.db2.gz FZEOIKYOWWYUAU-UHFFFAOYSA-N -1 0 512.632 3.604 50 0 KHAARM CCOC(=O)N1CCC(NC(=O)CCCCn2c(=O)c3cc(OCC)c(OCC)cc3[n-]c2=S)CC1 ZINC000020644782 553684998 /nfs/dbraw/zinc/68/49/98/553684998.db2.gz IUWWNOUVNFAVMC-UHFFFAOYSA-N -1 0 520.652 3.764 50 0 KHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCN(c2ccccc2)CC1 ZINC000020645609 553685023 /nfs/dbraw/zinc/68/50/23/553685023.db2.gz SKFVPDQUMVUFFP-UHFFFAOYSA-N -1 0 500.580 3.798 50 0 KHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCN(Cc2ccccc2)CC1 ZINC000020645624 553684977 /nfs/dbraw/zinc/68/49/77/553684977.db2.gz XRGBPDXJONPGNK-UHFFFAOYSA-N -1 0 514.607 3.794 50 0 KHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020645626 553684981 /nfs/dbraw/zinc/68/49/81/553684981.db2.gz JPNWRDOTQNRDNZ-UHFFFAOYSA-N -1 0 518.570 3.938 50 0 KHAARM COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[n-]c2=O)cc1Cl ZINC000020860998 553700337 /nfs/dbraw/zinc/70/03/37/553700337.db2.gz LKQBCMAZBCLRNH-UHFFFAOYSA-N -1 0 508.021 3.921 50 0 KHAARM COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)c1 ZINC000020861035 553700366 /nfs/dbraw/zinc/70/03/66/553700366.db2.gz KNKFQOPAOROUME-UHFFFAOYSA-N -1 0 517.629 3.648 50 0 KHAARM COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc(OC)c1 ZINC000020861068 553700327 /nfs/dbraw/zinc/70/03/27/553700327.db2.gz PCNDHVJPOFYCNG-UHFFFAOYSA-N -1 0 517.629 3.648 50 0 KHAARM COc1ccc(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000020861077 553700371 /nfs/dbraw/zinc/70/03/71/553700371.db2.gz XDRQBUQLVZOKIH-UHFFFAOYSA-N -1 0 501.630 3.948 50 0 KHAARM CCN(C(C)=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O ZINC000021157488 553708174 /nfs/dbraw/zinc/70/81/74/553708174.db2.gz POHFMFCARKZYRD-UHFFFAOYSA-N -1 0 502.394 3.698 50 0 KHAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000022627346 553748832 /nfs/dbraw/zinc/74/88/32/553748832.db2.gz WCBKGCPESAKAGD-KRWDZBQOSA-N -1 0 502.394 3.708 50 0 KHAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000022627350 553748702 /nfs/dbraw/zinc/74/87/02/553748702.db2.gz WCBKGCPESAKAGD-QGZVFWFLSA-N -1 0 502.394 3.708 50 0 KHAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022784336 553749804 /nfs/dbraw/zinc/74/98/04/553749804.db2.gz CGNSCSYRFGKBJW-JOCHJYFZSA-N -1 0 509.632 3.738 50 0 KHAARM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022784342 553749893 /nfs/dbraw/zinc/74/98/93/553749893.db2.gz CGNSCSYRFGKBJW-QFIPXVFZSA-N -1 0 509.632 3.738 50 0 KHAARM NC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022852030 553760968 /nfs/dbraw/zinc/76/09/68/553760968.db2.gz LMQKXVOHGCKHGP-INIZCTEOSA-N -1 0 502.394 3.806 50 0 KHAARM NC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022852033 553760957 /nfs/dbraw/zinc/76/09/57/553760957.db2.gz LMQKXVOHGCKHGP-MRXNPFEDSA-N -1 0 502.394 3.806 50 0 KHAARM CC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022852055 553761254 /nfs/dbraw/zinc/76/12/54/553761254.db2.gz LQWBRURMTXDIID-KRWDZBQOSA-N -1 0 502.394 3.772 50 0 KHAARM CC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022852057 553761260 /nfs/dbraw/zinc/76/12/60/553761260.db2.gz LQWBRURMTXDIID-QGZVFWFLSA-N -1 0 502.394 3.772 50 0 KHAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000022852490 553761442 /nfs/dbraw/zinc/76/14/42/553761442.db2.gz LICORTDFCJXJQB-HXUWFJFHSA-N -1 0 505.556 3.905 50 0 KHAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000022852492 553761513 /nfs/dbraw/zinc/76/15/13/553761513.db2.gz LICORTDFCJXJQB-FQEVSTJZSA-N -1 0 505.556 3.905 50 0 KHAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000023157068 553771087 /nfs/dbraw/zinc/77/10/87/553771087.db2.gz WTYNQLSGIZGLED-KRWDZBQOSA-N -1 0 502.394 3.708 50 0 KHAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1 ZINC000023157070 553770932 /nfs/dbraw/zinc/77/09/32/553770932.db2.gz WTYNQLSGIZGLED-QGZVFWFLSA-N -1 0 502.394 3.708 50 0 KHAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000023158033 553771020 /nfs/dbraw/zinc/77/10/20/553771020.db2.gz CURRRXVDZCPWPU-OAQYLSRUSA-N -1 0 513.595 3.881 50 0 KHAARM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000023158036 553770949 /nfs/dbraw/zinc/77/09/49/553770949.db2.gz CURRRXVDZCPWPU-NRFANRHFSA-N -1 0 513.595 3.881 50 0 KHAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000023158039 553771344 /nfs/dbraw/zinc/77/13/44/553771344.db2.gz HWFTYZDFYWARKG-OAQYLSRUSA-N -1 0 513.595 3.881 50 0 KHAARM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000023158043 553771327 /nfs/dbraw/zinc/77/13/27/553771327.db2.gz HWFTYZDFYWARKG-NRFANRHFSA-N -1 0 513.595 3.881 50 0 KHAARM COc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(=O)[O-])CC3)n2)cc1 ZINC000025063333 553792780 /nfs/dbraw/zinc/79/27/80/553792780.db2.gz MAHAYVKBWNSNQL-UHFFFAOYSA-N -1 0 501.586 3.556 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2F)ccc1N1CCOCC1 ZINC000025386739 553806639 /nfs/dbraw/zinc/80/66/39/553806639.db2.gz FETAGZXVOFFONH-UHFFFAOYSA-N -1 0 503.527 3.863 50 0 KHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1 ZINC000025392697 553807618 /nfs/dbraw/zinc/80/76/18/553807618.db2.gz IATMCTKSUZOPPG-UHFFFAOYSA-N -1 0 511.375 3.749 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N[C@@H](NC(=O)c3ccccc3)C(=O)c3ccccc3)cc2)n1 ZINC000026967075 553822617 /nfs/dbraw/zinc/82/26/17/553822617.db2.gz CQGUKDUQZUMNNL-VWLOTQADSA-N -1 0 515.595 3.945 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N[C@H](NC(=O)c3ccccc3)C(=O)c3ccccc3)cc2)n1 ZINC000026967087 553822905 /nfs/dbraw/zinc/82/29/05/553822905.db2.gz CQGUKDUQZUMNNL-RUZDIDTESA-N -1 0 515.595 3.945 50 0 KHAARM CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)N[C@@H](C)C(=O)[O-])S2)cc1 ZINC000028155825 553837638 /nfs/dbraw/zinc/83/76/38/553837638.db2.gz UFPFQJKZKGHBMR-WQTXXOFMSA-N -1 0 508.600 3.522 50 0 KHAARM CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)[O-])S2)cc1 ZINC000028155835 553837810 /nfs/dbraw/zinc/83/78/10/553837810.db2.gz UFPFQJKZKGHBMR-SSKFGXFMSA-N -1 0 508.600 3.522 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cc5oc6ccccc6c5cc4OC)CC3)nc21 ZINC000029061254 553844211 /nfs/dbraw/zinc/84/42/11/553844211.db2.gz RLDHZDLWWBILNU-UHFFFAOYSA-N -1 0 558.620 3.937 50 0 KHAARM CCOC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)c1ccccc1 ZINC000029228443 553844738 /nfs/dbraw/zinc/84/47/38/553844738.db2.gz LMPGZRBXGQHUBL-HNNXBMFYSA-N -1 0 565.145 3.506 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc21 ZINC000029748024 553849535 /nfs/dbraw/zinc/84/95/35/553849535.db2.gz JUGJNAIDTYGORN-UHFFFAOYSA-N -1 0 540.661 3.598 50 0 KHAARM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=S)NC(=O)c4ccc(Cl)cc4)CC3)c(F)cc2c1=O ZINC000029748026 553849567 /nfs/dbraw/zinc/84/95/67/553849567.db2.gz WLNHZGUFSYARDD-UHFFFAOYSA-N -1 0 528.993 3.664 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(OCc5ccccc5)cc4)CC3)nc21 ZINC000029748993 553850671 /nfs/dbraw/zinc/85/06/71/553850671.db2.gz QSIDZUBYHBSBPU-UHFFFAOYSA-N -1 0 544.637 3.608 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000032721168 553873438 /nfs/dbraw/zinc/87/34/38/553873438.db2.gz ITGNONFBDGJARD-JOCHJYFZSA-N -1 0 515.657 3.669 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000032721169 553873876 /nfs/dbraw/zinc/87/38/76/553873876.db2.gz ITGNONFBDGJARD-QFIPXVFZSA-N -1 0 515.657 3.669 50 0 KHAARM CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000032721182 553873834 /nfs/dbraw/zinc/87/38/34/553873834.db2.gz INSNPKVHTCLVBG-UHFFFAOYSA-N -1 0 501.630 3.644 50 0 KHAARM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000032721203 553873823 /nfs/dbraw/zinc/87/38/23/553873823.db2.gz PFBTUCYVSXGCNN-UHFFFAOYSA-N -1 0 511.600 3.996 50 0 KHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N1CCN(c3cc(Cl)ccc3C)CC1)c2=O ZINC000032959251 553881864 /nfs/dbraw/zinc/88/18/64/553881864.db2.gz HQFVYWLVHISJEP-UHFFFAOYSA-N -1 0 515.035 3.563 50 0 KHAARM CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1 ZINC000032985229 553885866 /nfs/dbraw/zinc/88/58/66/553885866.db2.gz BOCFTSMVQCRUHZ-UHFFFAOYSA-N -1 0 519.023 3.928 50 0 KHAARM CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1 ZINC000032985230 553886001 /nfs/dbraw/zinc/88/60/01/553886001.db2.gz KLXIZYQASRZYTG-UHFFFAOYSA-N -1 0 504.996 3.538 50 0 KHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 ZINC000033028045 553891460 /nfs/dbraw/zinc/89/14/60/553891460.db2.gz JZLXFIDYCYSLSO-UHFFFAOYSA-N -1 0 501.992 3.817 50 0 KHAARM O=C([O-])COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1I ZINC000033153870 553911387 /nfs/dbraw/zinc/91/13/87/553911387.db2.gz XWOWOKDSMIUOQS-NVNXTCNLSA-N -1 0 512.687 3.501 50 0 KHAARM COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000033155147 553911834 /nfs/dbraw/zinc/91/18/34/553911834.db2.gz VUQCYZLXUKVIIA-LPYMAVHISA-N -1 0 515.522 3.812 50 0 KHAARM O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000033256321 553915224 /nfs/dbraw/zinc/91/52/24/553915224.db2.gz ITNNRSSXRGERAK-UHFFFAOYSA-N -1 0 507.547 3.595 50 0 KHAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033256347 553915065 /nfs/dbraw/zinc/91/50/65/553915065.db2.gz XZKBVDXSHYDTPX-UHFFFAOYSA-N -1 0 503.584 3.764 50 0 KHAARM O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 ZINC000033256374 553915153 /nfs/dbraw/zinc/91/51/53/553915153.db2.gz UGKVUKYNLFHFNQ-UHFFFAOYSA-N -1 0 507.547 3.595 50 0 KHAARM O=C([O-])COc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000033286736 553920334 /nfs/dbraw/zinc/92/03/34/553920334.db2.gz FROLAIJBRYCYEL-NVNXTCNLSA-N -1 0 510.138 3.768 50 0 KHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1 ZINC000033293604 553920729 /nfs/dbraw/zinc/92/07/29/553920729.db2.gz AZKVPKZMSADNBC-MFOYZWKCSA-N -1 0 505.346 3.896 50 0 KHAARM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000033293606 553920743 /nfs/dbraw/zinc/92/07/43/553920743.db2.gz OHNPHMLELNNQPX-MFOYZWKCSA-N -1 0 505.346 3.896 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ccc2nc2c1CCCC2 ZINC000033356638 553943143 /nfs/dbraw/zinc/94/31/43/553943143.db2.gz HSBDRLBZZCLFJH-UHFFFAOYSA-N -1 0 533.650 3.797 50 0 KHAARM CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1 ZINC000033356656 553943330 /nfs/dbraw/zinc/94/33/30/553943330.db2.gz OADCNVDWULIIKA-UHFFFAOYSA-N -1 0 529.640 3.808 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccn(OCc4cccc(Cl)c4)c3=O)cc2)n1 ZINC000033356670 553943436 /nfs/dbraw/zinc/94/34/36/553943436.db2.gz WWTCRQZTDPNEJN-UHFFFAOYSA-N -1 0 540.001 3.590 50 0 KHAARM C[C@@H](CCc1ccccc1)NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000033357561 553948926 /nfs/dbraw/zinc/94/89/26/553948926.db2.gz ZDSSSLDKQCVOLJ-HNNXBMFYSA-N -1 0 536.473 3.595 50 0 KHAARM C[C@H](CCc1ccccc1)NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000033357562 553948934 /nfs/dbraw/zinc/94/89/34/553948934.db2.gz ZDSSSLDKQCVOLJ-OAHLLOKOSA-N -1 0 536.473 3.595 50 0 KHAARM COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3F)[n-]c2=O)cc1Cl ZINC000033357564 553948891 /nfs/dbraw/zinc/94/88/91/553948891.db2.gz XDQIMIRMLUZMOI-UHFFFAOYSA-N -1 0 562.826 3.897 50 0 KHAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@H](c1cccc(Br)c1)NC(=S)N[C@H]2c1cccc(Br)c1 ZINC000033357597 553949391 /nfs/dbraw/zinc/94/93/91/553949391.db2.gz QCSIJYTWXHVHSE-KBPBESRZSA-N -1 0 538.221 3.664 50 0 KHAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)NC(=S)N[C@H]2c1cccc(Br)c1 ZINC000033357598 553949429 /nfs/dbraw/zinc/94/94/29/553949429.db2.gz QCSIJYTWXHVHSE-OKILXGFUSA-N -1 0 538.221 3.664 50 0 KHAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)NC(=S)N[C@@H]2c1cccc(Br)c1 ZINC000033357600 553949202 /nfs/dbraw/zinc/94/92/02/553949202.db2.gz QCSIJYTWXHVHSE-ZIAGYGMSSA-N -1 0 538.221 3.664 50 0 KHAARM CCOc1cc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000033480628 553961045 /nfs/dbraw/zinc/96/10/45/553961045.db2.gz WMZNGFJATQSIGG-QNGOZBTKSA-N -1 0 531.609 3.945 50 0 KHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000033502773 553961537 /nfs/dbraw/zinc/96/15/37/553961537.db2.gz NPDHZQOQUAYALS-UHFFFAOYSA-N -1 0 502.976 3.965 50 0 KHAARM COc1cc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1 ZINC000033598394 553963721 /nfs/dbraw/zinc/96/37/21/553963721.db2.gz BBCOICKEIPCAAV-UHFFFAOYSA-N -1 0 502.520 3.748 50 0 KHAARM COc1cccc(/C=C\C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000033699813 1066501039 /nfs/dbraw/zinc/50/10/39/1066501039.db2.gz UCOMMJBNRMNQQC-RAXLEYEMSA-N -1 0 523.611 3.993 50 0 KHAARM CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3ccc(OCc4cccc(Cl)c4)cc3)[n-]c2=O)CC1 ZINC000034763058 554002115 /nfs/dbraw/zinc/00/21/15/554002115.db2.gz GACINIBANSVQPU-UHFFFAOYSA-N -1 0 525.993 3.710 50 0 KHAARM O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000034764164 554002550 /nfs/dbraw/zinc/00/25/50/554002550.db2.gz PSFQJAACFXJOAK-UHFFFAOYSA-N -1 0 505.594 3.839 50 0 KHAARM COc1cc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000034766619 554002867 /nfs/dbraw/zinc/00/28/67/554002867.db2.gz HGEOGTKDEJWRPX-UHFFFAOYSA-N -1 0 503.534 3.657 50 0 KHAARM COc1cc(-c2nnc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767420 554003005 /nfs/dbraw/zinc/00/30/05/554003005.db2.gz UTENNNGJBCVVGM-UHFFFAOYSA-N -1 0 521.593 3.852 50 0 KHAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000035806993 554076053 /nfs/dbraw/zinc/07/60/53/554076053.db2.gz RTHMMTAZZBIVGK-CSKMKTBNSA-N -1 0 522.598 3.824 50 0 KHAARM CCN1CCN(C2=C(c3c(=O)n(-c4ccc(F)cc4)[n-]c3C(C)C)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000035960745 554108861 /nfs/dbraw/zinc/10/88/61/554108861.db2.gz JKCULOGZXLYPPY-UHFFFAOYSA-N -1 0 509.626 3.891 50 0 KHAARM CCN(CC)C1=C(c2c(C)[n-]n(-c3ccc(OC)cc3)c2=O)C(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000035960786 554108873 /nfs/dbraw/zinc/10/88/73/554108873.db2.gz CAIMTXZJXULHKF-UHFFFAOYSA-N -1 0 506.559 3.538 50 0 KHAARM COc1ccc(N2C(=O)C(c3c(-c4ccccc4)[n-]n(C)c3=O)=C(N3CCC(C)CC3)C2=O)c(OC)c1 ZINC000035960863 554108886 /nfs/dbraw/zinc/10/88/86/554108886.db2.gz PRYXQVYTASQUNS-UHFFFAOYSA-N -1 0 502.571 3.826 50 0 KHAARM CC(C)c1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CCN(C)CC2)C(=O)N(C(C)C)C1=O ZINC000035960892 554108824 /nfs/dbraw/zinc/10/88/24/554108824.db2.gz MOASHNKWZHWOCC-UHFFFAOYSA-N -1 0 506.434 3.744 50 0 KHAARM C[C@@H](OC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000036476452 554225075 /nfs/dbraw/zinc/22/50/75/554225075.db2.gz QBYYWPMYAPYVGF-DMPWYTOCSA-N -1 0 512.559 3.823 50 0 KHAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-] ZINC000036543716 554225035 /nfs/dbraw/zinc/22/50/35/554225035.db2.gz BTVGCEKXCBYAQS-JAXLGGSGSA-N -1 0 512.632 3.763 50 0 KHAARM CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-] ZINC000036543718 554224938 /nfs/dbraw/zinc/22/49/38/554224938.db2.gz BTVGCEKXCBYAQS-TUNNFDKTSA-N -1 0 512.632 3.763 50 0 KHAARM COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)CCCC5)CC2)cc1OC ZINC000038139223 554259599 /nfs/dbraw/zinc/25/95/99/554259599.db2.gz ISVPAXDOGVXCMS-UHFFFAOYSA-N -1 0 581.691 3.589 50 0 KHAARM COc1ccc(OC)c(CN2CCN(C(=O)c3cc(S(=O)(=O)[N-]c4ccccc4OC)ccc3C)CC2)c1 ZINC000038139722 554261110 /nfs/dbraw/zinc/26/11/10/554261110.db2.gz BJQKWSSXUZLJHP-UHFFFAOYSA-N -1 0 539.654 3.780 50 0 KHAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000038139920 554261645 /nfs/dbraw/zinc/26/16/45/554261645.db2.gz MUJISGBIDQPIEC-GOTSBHOMSA-N -1 0 550.633 3.667 50 0 biogenic KHAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000038140763 554264189 /nfs/dbraw/zinc/26/41/89/554264189.db2.gz JBQIHOASDQXPJU-GSLIJJQTSA-N -1 0 528.609 3.603 50 0 biogenic KHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000038144948 554266361 /nfs/dbraw/zinc/26/63/61/554266361.db2.gz FFLUDEOXZBQHJV-UIOOFZCWSA-N -1 0 562.667 3.654 50 0 biogenic KHAARM Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4nc5c(c(C(=O)[O-])c4c3)CCCC5)CC2)cc1 ZINC000038146974 554270103 /nfs/dbraw/zinc/27/01/03/554270103.db2.gz LFRHYGIMYIUPIZ-UHFFFAOYSA-N -1 0 535.666 3.880 50 0 KHAARM COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CC2CCC(C(=O)[O-])CC2)cc1OC ZINC000038150005 554270901 /nfs/dbraw/zinc/27/09/01/554270901.db2.gz IKMNNZLTTUJTKD-UHFFFAOYSA-N -1 0 545.683 3.817 50 0 KHAARM COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCC4)CC1 ZINC000038150060 554271174 /nfs/dbraw/zinc/27/11/74/554271174.db2.gz KTIQTSDWYMJDPX-UHFFFAOYSA-N -1 0 537.638 3.538 50 0 KHAARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000038163118 554273621 /nfs/dbraw/zinc/27/36/21/554273621.db2.gz UQEXLKFTQQPHJS-LFIBNONCSA-N -1 0 505.284 3.710 50 0 KHAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(Br)c1 ZINC000038535711 554274890 /nfs/dbraw/zinc/27/48/90/554274890.db2.gz KXGSEDAILWXFFD-UHFFFAOYSA-N -1 0 505.394 3.983 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1 ZINC000038535713 554274875 /nfs/dbraw/zinc/27/48/75/554274875.db2.gz HCIYZCVSPKOWKO-JOCHJYFZSA-N -1 0 521.599 3.544 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1 ZINC000038535714 554274960 /nfs/dbraw/zinc/27/49/60/554274960.db2.gz HCIYZCVSPKOWKO-QFIPXVFZSA-N -1 0 521.599 3.544 50 0 KHAARM CS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc3nccnc3c2)C1 ZINC000039563639 554279559 /nfs/dbraw/zinc/27/95/59/554279559.db2.gz VSEMZDUTCHGZOJ-DEOSSOPVSA-N -1 0 507.597 3.541 50 0 KHAARM CS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc3nccnc3c2)C1 ZINC000039563640 554279624 /nfs/dbraw/zinc/27/96/24/554279624.db2.gz VSEMZDUTCHGZOJ-XMMPIXPASA-N -1 0 507.597 3.541 50 0 KHAARM CC[N@H+](CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1)CCOP(=O)([O-])[O-] ZINC000043129461 554297476 /nfs/dbraw/zinc/29/74/76/554297476.db2.gz GBJVVSCPOBPEIT-UHFFFAOYSA-N -1 0 587.549 3.617 50 0 investigational KHAARM O=C(CSc1ncc(S(=O)(=O)c2ccc(N3CCCC3)cc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000045922069 554314493 /nfs/dbraw/zinc/31/44/93/554314493.db2.gz SOIUZZAGNVVVDO-UHFFFAOYSA-N -1 0 505.021 3.587 50 0 KHAARM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[n-]c2=O)c(C)c1 ZINC000045987613 554317340 /nfs/dbraw/zinc/31/73/40/554317340.db2.gz CMEBTNRSRRAUMC-UHFFFAOYSA-N -1 0 508.419 3.713 50 0 KHAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1 ZINC000045987625 554317372 /nfs/dbraw/zinc/31/73/72/554317372.db2.gz AUVDJNNWJDUREO-UHFFFAOYSA-N -1 0 508.021 3.921 50 0 KHAARM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1F ZINC000046016284 554318505 /nfs/dbraw/zinc/31/85/05/554318505.db2.gz GAZFYSJMHKUSJV-UHFFFAOYSA-N -1 0 501.483 3.800 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1)Nc1ccc(F)cc1F ZINC000046016287 554318531 /nfs/dbraw/zinc/31/85/31/554318531.db2.gz BBNFLTLIDFXYQS-UHFFFAOYSA-N -1 0 505.446 3.631 50 0 KHAARM CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1 ZINC000046016292 554318330 /nfs/dbraw/zinc/31/83/30/554318330.db2.gz KOODZYZLWCDJNC-UHFFFAOYSA-N -1 0 513.519 3.751 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1)Nc1cc(F)ccc1F ZINC000046016294 554318356 /nfs/dbraw/zinc/31/83/56/554318356.db2.gz UJEIEEQDXMZXLO-UHFFFAOYSA-N -1 0 505.446 3.631 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1)Nc1ccc(F)c(F)c1 ZINC000046016296 554318540 /nfs/dbraw/zinc/31/85/40/554318540.db2.gz OQGMLVURGDUOEJ-UHFFFAOYSA-N -1 0 505.446 3.631 50 0 KHAARM COc1ccc(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000046016304 554318479 /nfs/dbraw/zinc/31/84/79/554318479.db2.gz FOSXAELOROZATL-UHFFFAOYSA-N -1 0 513.519 3.669 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1)Nc1ccc(F)cc1F ZINC000046016337 554318350 /nfs/dbraw/zinc/31/83/50/554318350.db2.gz HOSQFBVFENDQCX-UHFFFAOYSA-N -1 0 506.339 3.919 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)c(OC)c3)[n-]c2=O)cc1 ZINC000046016347 554318409 /nfs/dbraw/zinc/31/84/09/554318409.db2.gz LDSNYMVSRAGDAL-UHFFFAOYSA-N -1 0 517.629 3.693 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)ccc3OC)[n-]c2=O)cc1 ZINC000046016350 554318389 /nfs/dbraw/zinc/31/83/89/554318389.db2.gz YTCPBPUEWPGJCE-UHFFFAOYSA-N -1 0 517.629 3.693 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)[n-]c2=O)cc1 ZINC000046016352 554318425 /nfs/dbraw/zinc/31/84/25/554318425.db2.gz DBOFZFZBIQELFZ-UHFFFAOYSA-N -1 0 517.629 3.693 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)cc(OC)c3)[n-]c2=O)cc1 ZINC000046016370 554318796 /nfs/dbraw/zinc/31/87/96/554318796.db2.gz RXAMCAVZIGWSCK-UHFFFAOYSA-N -1 0 517.629 3.693 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3OC)[n-]c2=O)cc1 ZINC000046016378 554318696 /nfs/dbraw/zinc/31/86/96/554318696.db2.gz HOAUSDWEOSUNQG-UHFFFAOYSA-N -1 0 501.630 3.993 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccsc3C(=O)OC)[n-]c2=O)cc1 ZINC000046016396 554318740 /nfs/dbraw/zinc/31/87/40/554318740.db2.gz JBQBFXYNOBXNOM-UHFFFAOYSA-N -1 0 521.642 3.524 50 0 KHAARM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[n-]c2=O)cc1 ZINC000046016424 554319066 /nfs/dbraw/zinc/31/90/66/554319066.db2.gz QGAIFIRHOHROST-UHFFFAOYSA-N -1 0 508.419 3.658 50 0 KHAARM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Br)c3)[n-]c2=O)cc1 ZINC000046016426 554319205 /nfs/dbraw/zinc/31/92/05/554319205.db2.gz IQWBJFHRUDHCDG-UHFFFAOYSA-N -1 0 508.419 3.658 50 0 KHAARM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[n-]c2=O)cc1 ZINC000046016428 554319140 /nfs/dbraw/zinc/31/91/40/554319140.db2.gz MZFGZRANFCTPHE-UHFFFAOYSA-N -1 0 508.419 3.658 50 0 KHAARM CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1 ZINC000046016436 554319117 /nfs/dbraw/zinc/31/91/17/554319117.db2.gz WZURWLWQLLMRPW-UHFFFAOYSA-N -1 0 513.519 3.751 50 0 KHAARM CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000053230370 554329965 /nfs/dbraw/zinc/32/99/65/554329965.db2.gz YJQPYGGHQPGBLI-PVUQUFGYSA-N -1 0 612.632 3.627 50 0 KHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc4c(cc-3n2)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-4)cc1 ZINC000059102064 554378420 /nfs/dbraw/zinc/37/84/20/554378420.db2.gz BXPIKLOZDOUEPN-QFIPXVFZSA-N -1 0 578.647 4.207 50 0 biogenic KHAARM CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nnc(CC)s3)cc2)cc1 ZINC000059522808 554403651 /nfs/dbraw/zinc/40/36/51/554403651.db2.gz NLXCRAUGERDXIY-UHFFFAOYSA-N -1 0 537.689 3.574 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cc2)s1 ZINC000059522815 554403775 /nfs/dbraw/zinc/40/37/75/554403775.db2.gz RRXKFHRXJBWOER-UHFFFAOYSA-N -1 0 571.706 3.974 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)n1 ZINC000059522833 554403765 /nfs/dbraw/zinc/40/37/65/554403765.db2.gz IGWORKCSMBNZRG-HDICACEKSA-N -1 0 557.698 3.813 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)cc2)n1 ZINC000059522841 554403746 /nfs/dbraw/zinc/40/37/46/554403746.db2.gz IGWORKCSMBNZRG-ROUUACIJSA-N -1 0 557.698 3.813 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)cc2)n1 ZINC000059522844 554403709 /nfs/dbraw/zinc/40/37/09/554403709.db2.gz IGWORKCSMBNZRG-QZTJIDSGSA-N -1 0 557.698 3.813 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)cc2)n1 ZINC000059522846 554403991 /nfs/dbraw/zinc/40/39/91/554403991.db2.gz HTTYWOZWIYWFQN-UHFFFAOYSA-N -1 0 577.688 3.894 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)n1 ZINC000059522852 554404018 /nfs/dbraw/zinc/40/40/18/554404018.db2.gz UADADCIGCOPHMF-UHFFFAOYSA-N -1 0 543.671 3.567 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)n1 ZINC000059522856 554404030 /nfs/dbraw/zinc/40/40/30/554404030.db2.gz SLYDABQKFYDLPH-KRWDZBQOSA-N -1 0 543.671 3.567 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc2)n1 ZINC000059522859 554403914 /nfs/dbraw/zinc/40/39/14/554403914.db2.gz SLYDABQKFYDLPH-QGZVFWFLSA-N -1 0 543.671 3.567 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc2)n1 ZINC000059522861 554403957 /nfs/dbraw/zinc/40/39/57/554403957.db2.gz ZPRDAVUQCOIYSV-IBGZPJMESA-N -1 0 543.671 3.710 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)cc2)n1 ZINC000059522865 554403932 /nfs/dbraw/zinc/40/39/32/554403932.db2.gz ZPRDAVUQCOIYSV-LJQANCHMSA-N -1 0 543.671 3.710 50 0 KHAARM CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000059522868 554403923 /nfs/dbraw/zinc/40/39/23/554403923.db2.gz BNXDHNMSJZHFIJ-UHFFFAOYSA-N -1 0 531.660 3.567 50 0 KHAARM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000059522871 554403880 /nfs/dbraw/zinc/40/38/80/554403880.db2.gz SRPGETYPIIFRLY-UHFFFAOYSA-N -1 0 545.687 3.957 50 0 KHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cc2)n1 ZINC000059522882 554403896 /nfs/dbraw/zinc/40/38/96/554403896.db2.gz MYMAZAUMXQRFJM-UHFFFAOYSA-N -1 0 565.677 3.967 50 0 KHAARM COc1cccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cc6c(cc5[n-]c4=S)OCO6)cc3)CC2)c1 ZINC000059524106 554405324 /nfs/dbraw/zinc/40/53/24/554405324.db2.gz LUGJOKVOTIUCAS-UHFFFAOYSA-N -1 0 530.606 3.807 50 0 KHAARM CCOC(=O)c1sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)c(C(=O)OCC)c1C ZINC000059603388 554409731 /nfs/dbraw/zinc/40/97/31/554409731.db2.gz HKOJZIXCHPKBAA-UHFFFAOYSA-N -1 0 579.682 3.818 50 0 KHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000059651566 554418782 /nfs/dbraw/zinc/41/87/82/554418782.db2.gz WJVLZEIZIXRCKH-UHFFFAOYSA-N -1 0 547.655 3.526 50 0 KHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000059758382 554428154 /nfs/dbraw/zinc/42/81/54/554428154.db2.gz UIXDQFYUEDGJBU-UHFFFAOYSA-N -1 0 522.578 3.815 50 0 KHAARM CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(-c3nc(=O)o[n-]3)cc1)n2C)c1ccccn1 ZINC000060245393 554504399 /nfs/dbraw/zinc/50/43/99/554504399.db2.gz IFNJZUROZYTOFX-UHFFFAOYSA-N -1 0 541.568 3.936 50 0 KHAARM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000060291041 1066882419 /nfs/dbraw/zinc/88/24/19/1066882419.db2.gz OFIBQNGDYNGUEZ-QALYSUAOSA-N -1 0 594.734 3.991 50 0 KHAARM O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000062260660 554506572 /nfs/dbraw/zinc/50/65/72/554506572.db2.gz FNRMNMMETFNKCU-ZWKOTPCHSA-N -1 0 501.427 3.925 50 0 KHAARM O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000062260661 554506579 /nfs/dbraw/zinc/50/65/79/554506579.db2.gz FNRMNMMETFNKCU-QZTJIDSGSA-N -1 0 501.427 3.925 50 0 KHAARM O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000062260662 554506576 /nfs/dbraw/zinc/50/65/76/554506576.db2.gz FNRMNMMETFNKCU-ROUUACIJSA-N -1 0 501.427 3.925 50 0 KHAARM O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000062260663 554506636 /nfs/dbraw/zinc/50/66/36/554506636.db2.gz FNRMNMMETFNKCU-MSOLQXFVSA-N -1 0 501.427 3.925 50 0 KHAARM CCCN1C(=O)c2c(C(=O)[N-]c3c(F)c(F)c(F)c(F)c3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064953654 554521436 /nfs/dbraw/zinc/52/14/36/554521436.db2.gz GDPAHUYPKAZRIU-QHCPKHFHSA-N -1 0 513.467 3.514 50 0 KHAARM CCCN1C(=O)c2c(C(=O)[N-]c3c(F)c(F)c(F)c(F)c3F)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064953656 554521457 /nfs/dbraw/zinc/52/14/57/554521457.db2.gz GDPAHUYPKAZRIU-HSZRJFAPSA-N -1 0 513.467 3.514 50 0 KHAARM COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4OC)c3)CC2)c1 ZINC000066123879 554528574 /nfs/dbraw/zinc/52/85/74/554528574.db2.gz BFHHLQWMXLGGON-UHFFFAOYSA-N -1 0 539.654 3.780 50 0 KHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000068267481 554538758 /nfs/dbraw/zinc/53/87/58/554538758.db2.gz NYFQDUPIZKZQAX-UHFFFAOYSA-N -1 0 522.001 3.927 50 0 KHAARM CCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000070670157 553600662 /nfs/dbraw/zinc/60/06/62/553600662.db2.gz IWRKIHCCVLZYGK-DCEDVJGZSA-N -1 0 555.672 3.966 50 0 biogenic KHAARM CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000070670159 553600646 /nfs/dbraw/zinc/60/06/46/553600646.db2.gz IWRKIHCCVLZYGK-KSNOWIBYSA-N -1 0 555.672 3.966 50 0 biogenic KHAARM C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070670213 553600950 /nfs/dbraw/zinc/60/09/50/553600950.db2.gz UOYVQDADFDNDIO-JOGOKDMFSA-N -1 0 593.677 3.897 50 0 KHAARM C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070670215 553600955 /nfs/dbraw/zinc/60/09/55/553600955.db2.gz UOYVQDADFDNDIO-AGXVFDLRSA-N -1 0 593.677 3.897 50 0 KHAARM C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000070673000 553603081 /nfs/dbraw/zinc/60/30/81/553603081.db2.gz VYRFMNAIRGMYOQ-LOGVBMHPSA-N -1 0 569.655 3.894 50 0 KHAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CS)CC(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070680356 553604383 /nfs/dbraw/zinc/60/43/83/553604383.db2.gz OHPFWUCPFOYCAG-NTUGNETBSA-N -1 0 601.810 3.716 50 0 KHAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CS)CC(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070680362 553604404 /nfs/dbraw/zinc/60/44/04/553604404.db2.gz OHPFWUCPFOYCAG-VJHUIMEUSA-N -1 0 601.810 3.716 50 0 KHAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000070687119 553606197 /nfs/dbraw/zinc/60/61/97/553606197.db2.gz OIDXRFZTJBGCDL-UIOOFZCWSA-N -1 0 562.667 3.654 50 0 biogenic KHAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000070691685 553608250 /nfs/dbraw/zinc/60/82/50/553608250.db2.gz FMEPNFRVNPJVGF-DQEYMECFSA-N -1 0 548.640 3.784 50 0 biogenic KHAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070699154 553615597 /nfs/dbraw/zinc/61/55/97/553615597.db2.gz OBFMOESPLMHQPY-GCNYQIMJSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070699156 553615631 /nfs/dbraw/zinc/61/56/31/553615631.db2.gz OBFMOESPLMHQPY-PNISEAIOSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N5CCC[C@@H]5C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070699278 553615912 /nfs/dbraw/zinc/61/59/12/553615912.db2.gz ZRFNLVFXMGHTOG-NBCMENKFSA-N -1 0 581.754 3.903 50 0 biogenic KHAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070699285 553615911 /nfs/dbraw/zinc/61/59/11/553615911.db2.gz ZRFNLVFXMGHTOG-MXCMNPRLSA-N -1 0 581.754 3.903 50 0 biogenic KHAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)[O-])CC2)CC1 ZINC000070699479 553616242 /nfs/dbraw/zinc/61/62/42/553616242.db2.gz NHOHTKXYTIONDI-AJPKXHFHSA-N -1 0 554.688 3.850 50 0 biogenic KHAARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)[O-] ZINC000070700095 553617632 /nfs/dbraw/zinc/61/76/32/553617632.db2.gz BKEPAPAGBZTIPU-ZNSJJQHISA-N -1 0 559.700 3.903 50 0 biogenic KHAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)[O-] ZINC000070700098 553617647 /nfs/dbraw/zinc/61/76/47/553617647.db2.gz BKEPAPAGBZTIPU-KHRMYISPSA-N -1 0 559.700 3.903 50 0 biogenic KHAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)[O-] ZINC000070700103 553617664 /nfs/dbraw/zinc/61/76/64/553617664.db2.gz BKEPAPAGBZTIPU-ZDOURAFDSA-N -1 0 559.700 3.903 50 0 biogenic KHAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])(c2ccccc2)CC1 ZINC000070700552 553618876 /nfs/dbraw/zinc/61/88/76/553618876.db2.gz WGBGCKVPFPSDCV-DQEYMECFSA-N -1 0 549.668 3.758 50 0 biogenic KHAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070700620 553618804 /nfs/dbraw/zinc/61/88/04/553618804.db2.gz OBFMOESPLMHQPY-DTNWAODDSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070700623 553618825 /nfs/dbraw/zinc/61/88/25/553618825.db2.gz OBFMOESPLMHQPY-JRWZBITLSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)[O-])C(=O)N32)c1 ZINC000070700929 553619933 /nfs/dbraw/zinc/61/99/33/553619933.db2.gz PVTIRADOJZIYSP-DTNWAODDSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)[O-])C(=O)N32)c1 ZINC000070700931 553619928 /nfs/dbraw/zinc/61/99/28/553619928.db2.gz PVTIRADOJZIYSP-JRWZBITLSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C)C(=O)[O-])C(=O)N32)c1 ZINC000070701018 553620257 /nfs/dbraw/zinc/62/02/57/553620257.db2.gz PVTIRADOJZIYSP-GCNYQIMJSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C)C(=O)[O-])C(=O)N32)c1 ZINC000070701019 553620198 /nfs/dbraw/zinc/62/01/98/553620198.db2.gz PVTIRADOJZIYSP-PNISEAIOSA-N -1 0 538.560 3.862 50 0 biogenic KHAARM Cc1cc(O)c2c(C)c(CC(=O)N3CCC(C(=O)NCCCCCC(=O)[O-])(c4ccccc4)CC3)c(=O)oc2c1 ZINC000070701287 553621487 /nfs/dbraw/zinc/62/14/87/553621487.db2.gz YJWPUUBAPPPRCX-UHFFFAOYSA-N -1 0 548.636 3.980 50 0 biogenic KHAARM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701504 553622229 /nfs/dbraw/zinc/62/22/29/553622229.db2.gz VXOKXCPFBLTWDK-VXKWHMMOSA-N -1 0 549.734 3.809 50 0 biogenic KHAARM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])(c2ccccc2)CC1 ZINC000070701521 553622289 /nfs/dbraw/zinc/62/22/89/553622289.db2.gz IKYPEGVINGQGGO-BJKOFHAPSA-N -1 0 567.708 3.669 50 0 biogenic KHAARM CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070701544 553622261 /nfs/dbraw/zinc/62/22/61/553622261.db2.gz QPCGDPLODCLJSM-DQEYMECFSA-N -1 0 551.684 3.908 50 0 biogenic KHAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])(c2ccccc2)CC1 ZINC000070701550 553622286 /nfs/dbraw/zinc/62/22/86/553622286.db2.gz LUDIRDCOAWYFFR-UIOOFZCWSA-N -1 0 561.679 3.984 50 0 biogenic KHAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000070701570 553622564 /nfs/dbraw/zinc/62/25/64/553622564.db2.gz DRJMEEXDIZBUDE-HJNYFJLDSA-N -1 0 549.734 3.809 50 0 biogenic KHAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000070701572 553622527 /nfs/dbraw/zinc/62/25/27/553622527.db2.gz DRJMEEXDIZBUDE-BVSLBCMMSA-N -1 0 549.734 3.809 50 0 biogenic KHAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000070704966 553624326 /nfs/dbraw/zinc/62/43/26/553624326.db2.gz QRBVCSOERDDZGI-XMMPIXPASA-N -1 0 543.576 3.725 50 0 biogenic KHAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(C)c3cc12 ZINC000070705052 553624639 /nfs/dbraw/zinc/62/46/39/553624639.db2.gz GGWQAJCAPKPOAS-DEOSSOPVSA-N -1 0 543.576 3.888 50 0 biogenic KHAARM C[C@H](O)[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705326 553625108 /nfs/dbraw/zinc/62/51/08/553625108.db2.gz ZWCZZKQDONHMCA-DWSPACKXSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM C[C@@H](O)[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705329 553625169 /nfs/dbraw/zinc/62/51/69/553625169.db2.gz ZWCZZKQDONHMCA-RGOBYNCSSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM C[C@H](O)[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705332 553625213 /nfs/dbraw/zinc/62/52/13/553625213.db2.gz ZWCZZKQDONHMCA-KMBZULAFSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM C[C@@H](O)[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705335 553625192 /nfs/dbraw/zinc/62/51/92/553625192.db2.gz ZWCZZKQDONHMCA-MLGLEMMZSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)cc1 ZINC000070705650 553626151 /nfs/dbraw/zinc/62/61/51/553626151.db2.gz GJADAHCASOLZQC-GYGTVUFYSA-N -1 0 566.614 3.950 50 0 biogenic KHAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)cc1 ZINC000070705652 553626182 /nfs/dbraw/zinc/62/61/82/553626182.db2.gz GJADAHCASOLZQC-MPYJOUPCSA-N -1 0 566.614 3.950 50 0 biogenic KHAARM C[C@H](O)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705759 553626333 /nfs/dbraw/zinc/62/63/33/553626333.db2.gz ZWCZZKQDONHMCA-LXISHSFJSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM C[C@@H](O)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705763 553626343 /nfs/dbraw/zinc/62/63/43/553626343.db2.gz ZWCZZKQDONHMCA-LMHTZFBSSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM C[C@H](O)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705766 553626353 /nfs/dbraw/zinc/62/63/53/553626353.db2.gz ZWCZZKQDONHMCA-JMTGYTTLSA-N -1 0 573.005 3.868 50 0 biogenic KHAARM C[C@@H](O)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070705771 553626324 /nfs/dbraw/zinc/62/63/24/553626324.db2.gz ZWCZZKQDONHMCA-XLWSEGLASA-N -1 0 573.005 3.868 50 0 biogenic KHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)NCCCC(=O)[O-])c4ccc(O)cc4)c(C)c3cc2c1C ZINC000070706007 553626987 /nfs/dbraw/zinc/62/69/87/553626987.db2.gz HLRMXHZNVYJYMM-HHHXNRCGSA-N -1 0 534.565 3.941 50 0 biogenic KHAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000070706074 553627213 /nfs/dbraw/zinc/62/72/13/553627213.db2.gz BHEUBYQMHKRAGT-QFIPXVFZSA-N -1 0 536.606 3.886 50 0 biogenic KHAARM COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)NCCCCCC(=O)[O-])(c4ccccc4)CC3)c(=O)oc2c1OC ZINC000070706245 553627492 /nfs/dbraw/zinc/62/74/92/553627492.db2.gz PNQJXHVESABNRQ-UHFFFAOYSA-N -1 0 578.662 3.983 50 0 biogenic KHAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1 ZINC000070706476 553627998 /nfs/dbraw/zinc/62/79/98/553627998.db2.gz XRYREAYTBCMORS-PLLQJDMFSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1 ZINC000070706479 553628010 /nfs/dbraw/zinc/62/80/10/553628010.db2.gz XRYREAYTBCMORS-PTRBTKKBSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1 ZINC000070706482 553628061 /nfs/dbraw/zinc/62/80/61/553628061.db2.gz XRYREAYTBCMORS-NXDAVNMYSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1 ZINC000070706486 553627984 /nfs/dbraw/zinc/62/79/84/553627984.db2.gz XRYREAYTBCMORS-KTIISADKSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1 ZINC000070706646 553628533 /nfs/dbraw/zinc/62/85/33/553628533.db2.gz XRYREAYTBCMORS-HOZAWGGSSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1 ZINC000070706649 553628566 /nfs/dbraw/zinc/62/85/66/553628566.db2.gz XRYREAYTBCMORS-CFWFACLCSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1 ZINC000070706651 553628553 /nfs/dbraw/zinc/62/85/53/553628553.db2.gz XRYREAYTBCMORS-QKSQJBIDSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1 ZINC000070706653 553628596 /nfs/dbraw/zinc/62/85/96/553628596.db2.gz XRYREAYTBCMORS-OGZQIAKDSA-N -1 0 552.587 3.523 50 0 biogenic KHAARM CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070706751 553628772 /nfs/dbraw/zinc/62/87/72/553628772.db2.gz QPCGDPLODCLJSM-LOSJGSFVSA-N -1 0 551.684 3.908 50 0 biogenic KHAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)cc1 ZINC000070706830 553629079 /nfs/dbraw/zinc/62/90/79/553629079.db2.gz NIVVVXSDRYUPGY-NJIBMQBXSA-N -1 0 593.640 3.833 50 0 biogenic KHAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)cc1 ZINC000070706832 553629117 /nfs/dbraw/zinc/62/91/17/553629117.db2.gz NIVVVXSDRYUPGY-MIUCGUHXSA-N -1 0 593.640 3.833 50 0 biogenic KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCC(=O)[O-])oc1c3CCCC1 ZINC000070707244 553630423 /nfs/dbraw/zinc/63/04/23/553630423.db2.gz AEBYCPBJKQZJFC-XMMPIXPASA-N -1 0 544.604 3.977 50 0 biogenic KHAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])C(C)C)c(=O)oc3c2C)c1C ZINC000070707249 553630453 /nfs/dbraw/zinc/63/04/53/553630453.db2.gz XKIVXHGTBZLIDQ-GGXMVOPNSA-N -1 0 617.699 3.775 50 0 biogenic KHAARM CSC[C@H](NC(=O)[C@H](CSC)NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000070708455 553632860 /nfs/dbraw/zinc/63/28/60/553632860.db2.gz LOHSFCIPKICUKD-SFTDATJTSA-N -1 0 614.742 3.723 50 0 biogenic KHAARM COc1cc(OC)c(CNC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1 ZINC000071788093 553637516 /nfs/dbraw/zinc/63/75/16/553637516.db2.gz RGZYXRAMAQAJGQ-DEOSSOPVSA-N -1 0 534.565 3.711 50 0 KHAARM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071788129 553637720 /nfs/dbraw/zinc/63/77/20/553637720.db2.gz OFIBQNGDYNGUEZ-OBXRUURASA-N -1 0 594.734 3.991 50 0 KHAARM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071788149 553638008 /nfs/dbraw/zinc/63/80/08/553638008.db2.gz OFIBQNGDYNGUEZ-KAHNYGAISA-N -1 0 594.734 3.991 50 0 KHAARM CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C ZINC000071788180 553638011 /nfs/dbraw/zinc/63/80/11/553638011.db2.gz OXEDICXRSSILSN-GOTSBHOMSA-N -1 0 510.587 3.757 50 0 KHAARM CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191476 553645986 /nfs/dbraw/zinc/64/59/86/553645986.db2.gz VDKIGYOSYICJKE-UHFFFAOYSA-N -1 0 507.494 3.927 50 0 KHAARM [NH3+][C@@H](COP(=O)([O-])[O-])[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000077271449 553656347 /nfs/dbraw/zinc/65/63/47/553656347.db2.gz JHROEHVYJZWKKP-RPRIXWAOSA-N -1 0 620.794 3.863 50 0 in-vitro KHAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000079228323 553672162 /nfs/dbraw/zinc/67/21/62/553672162.db2.gz CTWJUESJRRJEJV-PDWOHMJNSA-N -1 0 727.815 3.842 50 0 biogenic KHAARM CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000083291923 553676359 /nfs/dbraw/zinc/67/63/59/553676359.db2.gz PTLFCOUVJWWLFM-RQZCQDPDSA-N -1 0 517.332 3.904 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc2)s1 ZINC000084724000 553677918 /nfs/dbraw/zinc/67/79/18/553677918.db2.gz LHXOXOBCKMIRRU-INIZCTEOSA-N -1 0 549.700 3.717 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)cc2)s1 ZINC000084724004 553677947 /nfs/dbraw/zinc/67/79/47/553677947.db2.gz LHXOXOBCKMIRRU-MRXNPFEDSA-N -1 0 549.700 3.717 50 0 KHAARM Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)[O-])C(C)C)ccc12 ZINC000085544513 553683511 /nfs/dbraw/zinc/68/35/11/553683511.db2.gz UVFAEQZFLBGVRM-MSMWPWNWSA-N -1 0 763.889 3.540 50 0 in-vitro KHAARM Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)[O-])C(C)C)ccc12 ZINC000085574316 553684458 /nfs/dbraw/zinc/68/44/58/553684458.db2.gz UVFAEQZFLBGVRM-HJWYSDFNSA-N -1 0 763.889 3.540 50 0 KHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000089847787 553694433 /nfs/dbraw/zinc/69/44/33/553694433.db2.gz KLJDBYZVICJNJQ-UHFFFAOYSA-N -1 0 509.613 3.959 50 0 KHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000096022004 553718815 /nfs/dbraw/zinc/71/88/15/553718815.db2.gz UWRWJHDKWAZXHN-UHFFFAOYSA-N -1 0 557.629 3.643 50 0 KHAARM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096022007 553718849 /nfs/dbraw/zinc/71/88/49/553718849.db2.gz CUXJXNKQYGVDCA-UHFFFAOYSA-N -1 0 597.140 3.979 50 0 KHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000096022564 553721579 /nfs/dbraw/zinc/72/15/79/553721579.db2.gz WSNWVPPUPSRGTF-UHFFFAOYSA-N -1 0 560.057 3.849 50 0 KHAARM COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113884 553724716 /nfs/dbraw/zinc/72/47/16/553724716.db2.gz HCOXAWGAAMIQFQ-LJQANCHMSA-N -1 0 500.507 3.757 50 0 biogenic KHAARM COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113885 553724732 /nfs/dbraw/zinc/72/47/32/553724732.db2.gz HCOXAWGAAMIQFQ-IBGZPJMESA-N -1 0 500.507 3.757 50 0 biogenic KHAARM CN1CCN(C(=O)C[C@@H](c2cccc(O)c2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096114965 553725418 /nfs/dbraw/zinc/72/54/18/553725418.db2.gz OFWSQTIKUYYJOW-NRFANRHFSA-N -1 0 500.551 3.873 50 0 biogenic KHAARM CN1CCN(C(=O)C[C@H](c2cccc(O)c2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096114966 553725368 /nfs/dbraw/zinc/72/53/68/553725368.db2.gz OFWSQTIKUYYJOW-OAQYLSRUSA-N -1 0 500.551 3.873 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCOCC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)ccc1O ZINC000096115111 553725713 /nfs/dbraw/zinc/72/57/13/553725713.db2.gz GVWSWOAJVOGUMJ-LJQANCHMSA-N -1 0 517.534 3.966 50 0 biogenic KHAARM COc1cc([C@H](CC(=O)N2CCOCC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)ccc1O ZINC000096115112 553725758 /nfs/dbraw/zinc/72/57/58/553725758.db2.gz GVWSWOAJVOGUMJ-IBGZPJMESA-N -1 0 517.534 3.966 50 0 biogenic KHAARM COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1O ZINC000096115819 553726613 /nfs/dbraw/zinc/72/66/13/553726613.db2.gz BYJWYAKSIHEZSP-LJQANCHMSA-N -1 0 517.534 3.966 50 0 biogenic KHAARM COc1ccc([C@H](CC(=O)N2CCOCC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1O ZINC000096115820 553726588 /nfs/dbraw/zinc/72/65/88/553726588.db2.gz BYJWYAKSIHEZSP-IBGZPJMESA-N -1 0 517.534 3.966 50 0 biogenic KHAARM CCc1cc2c(cc1OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])occ(-c1nncn1-c1ccccc1)c2=O ZINC000096125528 553726721 /nfs/dbraw/zinc/72/67/21/553726721.db2.gz BTNQPPFLAMAJOG-NRFANRHFSA-N -1 0 504.543 3.597 50 0 KHAARM CN1CCN(C(=O)C[C@@H](c2ccc(O)cc2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096222478 553730797 /nfs/dbraw/zinc/73/07/97/553730797.db2.gz GMHSJGFXROZDRP-NRFANRHFSA-N -1 0 500.551 3.873 50 0 biogenic KHAARM CN1CCN(C(=O)C[C@H](c2ccc(O)cc2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096222480 553731258 /nfs/dbraw/zinc/73/12/58/553731258.db2.gz GMHSJGFXROZDRP-OAQYLSRUSA-N -1 0 500.551 3.873 50 0 biogenic KHAARM CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+]C(CC(=O)[O-])CC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270862 553731730 /nfs/dbraw/zinc/73/17/30/553731730.db2.gz CZGVOBIGEBDYTP-VSGBNLITSA-N -1 0 546.686 3.908 50 0 investigational KHAARM COc1ccccc1C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000096291884 553745302 /nfs/dbraw/zinc/74/53/02/553745302.db2.gz YGNCJTAHWGVACB-UHFFFAOYSA-N -1 0 516.576 3.557 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000096316618 553749766 /nfs/dbraw/zinc/74/97/66/553749766.db2.gz BFOABTSRMYFKAN-UHFFFAOYSA-N -1 0 516.551 3.846 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000096317529 553750165 /nfs/dbraw/zinc/75/01/65/553750165.db2.gz SVIQJQCKIFVXJN-UHFFFAOYSA-N -1 0 516.551 3.846 50 0 KHAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(F)cc2)c(S(=O)(=O)NC2CC2)c1 ZINC000096317530 553750162 /nfs/dbraw/zinc/75/01/62/553750162.db2.gz BMALBJMDNOJEGV-UHFFFAOYSA-N -1 0 502.524 3.600 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NC1CC1 ZINC000096317531 553750120 /nfs/dbraw/zinc/75/01/20/553750120.db2.gz QEDRDPLTFZMDMR-UHFFFAOYSA-N -1 0 514.535 3.600 50 0 KHAARM Cn1nc(C(=O)[O-])cc1Oc1ccc(NC(=O)c2ccccc2Cl)cc1S(=O)(=O)NC(C)(C)C ZINC000096317639 553750425 /nfs/dbraw/zinc/75/04/25/553750425.db2.gz CIGQXDLAHGSWFV-UHFFFAOYSA-N -1 0 506.968 3.893 50 0 KHAARM CCCNS(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000096317709 553750409 /nfs/dbraw/zinc/75/04/09/553750409.db2.gz MDXIUUULNCCRFT-UHFFFAOYSA-N -1 0 504.565 3.971 50 0 KHAARM CC(C)CNS(=O)(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Oc1cc(C(=O)[O-])nn1C ZINC000096317732 553750774 /nfs/dbraw/zinc/75/07/74/553750774.db2.gz DWLDJASSAUMPNJ-UHFFFAOYSA-N -1 0 506.968 3.751 50 0 KHAARM Cc1cc(C(=O)Nc2ccc(Oc3cc(C(=O)[O-])nn3C)c(S(=O)(=O)NCC(C)C)c2)ccc1F ZINC000096317733 553750916 /nfs/dbraw/zinc/75/09/16/553750916.db2.gz YMZHDVPSSFKGNO-UHFFFAOYSA-N -1 0 504.540 3.545 50 0 KHAARM Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)NC(C)C ZINC000096317736 553750902 /nfs/dbraw/zinc/75/09/02/553750902.db2.gz SWOWBCUCDLPRFF-UHFFFAOYSA-N -1 0 506.968 3.811 50 0 KHAARM Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccc(F)c(C)c2)cc1S(=O)(=O)NC(C)C ZINC000096317737 553750880 /nfs/dbraw/zinc/75/08/80/553750880.db2.gz YHPAUKDFYWSNPW-UHFFFAOYSA-N -1 0 504.540 3.606 50 0 KHAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317738 553750823 /nfs/dbraw/zinc/75/08/23/553750823.db2.gz PFYOPRSWNNNYRP-CQSZACIVSA-N -1 0 516.576 3.557 50 0 KHAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317739 553750889 /nfs/dbraw/zinc/75/08/89/553750889.db2.gz PFYOPRSWNNNYRP-AWEZNQCLSA-N -1 0 516.576 3.557 50 0 KHAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317744 553750766 /nfs/dbraw/zinc/75/07/66/553750766.db2.gz ZRPJWRSVIVQASF-CYBMUJFWSA-N -1 0 504.540 3.687 50 0 KHAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317745 553750828 /nfs/dbraw/zinc/75/08/28/553750828.db2.gz ZRPJWRSVIVQASF-ZDUSSCGKSA-N -1 0 504.540 3.687 50 0 KHAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317746 553750783 /nfs/dbraw/zinc/75/07/83/553750783.db2.gz YOYUKQNFJJTYQB-CQSZACIVSA-N -1 0 516.576 3.557 50 0 KHAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317747 553750896 /nfs/dbraw/zinc/75/08/96/553750896.db2.gz YOYUKQNFJJTYQB-AWEZNQCLSA-N -1 0 516.576 3.557 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NC1CC1 ZINC000096317750 553750869 /nfs/dbraw/zinc/75/08/69/553750869.db2.gz LDMDGCQKSBOERL-UHFFFAOYSA-N -1 0 510.572 3.769 50 0 KHAARM CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1S(=O)(=O)NC(C)C ZINC000096317789 553750847 /nfs/dbraw/zinc/75/08/47/553750847.db2.gz IIOQZKFJKCFWGV-UHFFFAOYSA-N -1 0 516.576 3.650 50 0 KHAARM CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)NC(C)C ZINC000096317792 553750842 /nfs/dbraw/zinc/75/08/42/553750842.db2.gz YPLWSZNFVMGROF-UHFFFAOYSA-N -1 0 504.540 3.780 50 0 KHAARM CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)NC(C)C ZINC000096317793 553750899 /nfs/dbraw/zinc/75/08/99/553750899.db2.gz ALUIZVBUSKRDDO-UHFFFAOYSA-N -1 0 504.540 3.780 50 0 KHAARM CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2ccccc2OC)cc1S(=O)(=O)NC(C)C ZINC000096317794 553750882 /nfs/dbraw/zinc/75/08/82/553750882.db2.gz JUBPBYFTCHOGIO-UHFFFAOYSA-N -1 0 516.576 3.650 50 0 KHAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C)c(S(=O)(=O)NCc2ccco2)c1 ZINC000096317900 553751019 /nfs/dbraw/zinc/75/10/19/553751019.db2.gz NOTYLNWVBVLWKB-UHFFFAOYSA-N -1 0 504.565 3.665 50 0 KHAARM Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC(C)(C)C ZINC000096317901 553750997 /nfs/dbraw/zinc/75/09/97/553750997.db2.gz IOKDFWMPSUGITI-UHFFFAOYSA-N -1 0 504.540 3.687 50 0 KHAARM COc1ccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3C)c(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000096317902 553751009 /nfs/dbraw/zinc/75/10/09/553751009.db2.gz BOFGJSPXHOHTMK-UHFFFAOYSA-N -1 0 516.576 3.557 50 0 KHAARM Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)NC(C)(C)C ZINC000096317903 553751096 /nfs/dbraw/zinc/75/10/96/553751096.db2.gz QSWYWTSSDBOYMA-UHFFFAOYSA-N -1 0 504.540 3.687 50 0 KHAARM Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccccc2C)cc1S(=O)(=O)NC(C)(C)C ZINC000096317904 553750992 /nfs/dbraw/zinc/75/09/92/553750992.db2.gz DNJKFNMBRVVLIU-UHFFFAOYSA-N -1 0 500.577 3.857 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NCC(C)C ZINC000096318032 553751315 /nfs/dbraw/zinc/75/13/15/553751315.db2.gz UJDDIPZFFVNKAN-UHFFFAOYSA-N -1 0 512.588 3.954 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC(C)C ZINC000096318033 553751379 /nfs/dbraw/zinc/75/13/79/553751379.db2.gz IGCFWIKEFJYTOZ-UHFFFAOYSA-N -1 0 500.577 3.952 50 0 KHAARM CCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1 ZINC000096318053 553751550 /nfs/dbraw/zinc/75/15/50/553751550.db2.gz WGFZNCZBNNQGET-UHFFFAOYSA-N -1 0 500.577 3.954 50 0 KHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1 ZINC000096324080 553752007 /nfs/dbraw/zinc/75/20/07/553752007.db2.gz ODKNXHMTIPZKCU-UHFFFAOYSA-N -1 0 510.037 3.928 50 0 KHAARM Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000096355848 553752873 /nfs/dbraw/zinc/75/28/73/553752873.db2.gz NWBASBWCDPDBQU-UHFFFAOYSA-N -1 0 503.584 3.764 50 0 KHAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ccccn4)CC3)cc(C(=O)[O-])c2c1 ZINC000096493316 553754791 /nfs/dbraw/zinc/75/47/91/553754791.db2.gz IJXBVWZPJPALDS-UHFFFAOYSA-N -1 0 521.574 3.903 50 0 KHAARM NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1 ZINC000096562358 553755518 /nfs/dbraw/zinc/75/55/18/553755518.db2.gz OHBSBPMMVLLVCD-GZTJUZNOSA-N -1 0 505.430 3.641 50 0 KHAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)nc(OC)n1 ZINC000097940276 553764296 /nfs/dbraw/zinc/76/42/96/553764296.db2.gz VNEVQJDSXAOBFU-UHFFFAOYSA-N -1 0 602.261 3.837 50 0 KHAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1I ZINC000097940349 553764555 /nfs/dbraw/zinc/76/45/55/553764555.db2.gz LRJZRTOOXZXREY-UHFFFAOYSA-N -1 0 538.367 3.760 50 0 KHAARM Cc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(Br)c1 ZINC000097940360 553764956 /nfs/dbraw/zinc/76/49/56/553764956.db2.gz ZSJPEACKGZJPPJ-UHFFFAOYSA-N -1 0 564.487 3.857 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CCC(=O)OCCCc3ccccc3)cc2)no1 ZINC000097940406 553764934 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Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)c(Br)c4C4CC4)[C@@H]3SC2)s1 ZINC000097949156 553799876 /nfs/dbraw/zinc/79/98/76/553799876.db2.gz FIPNOHHWGSZXDU-UGSOOPFHSA-N -1 0 653.528 3.623 50 0 KHAARM O=c1c(C(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2 ZINC000097949814 553803460 /nfs/dbraw/zinc/80/34/60/553803460.db2.gz ZKIRKTJSOLTYAO-UHFFFAOYSA-N -1 0 525.439 3.690 50 0 KHAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O ZINC000097950981 553806501 /nfs/dbraw/zinc/80/65/01/553806501.db2.gz DFVQZBKWXKQTEM-HSZRJFAPSA-N -1 0 545.573 3.946 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ncnc4c3cnn4-c3ccccc3)cc2)nc(C)n1 ZINC000097954912 553826642 /nfs/dbraw/zinc/82/66/42/553826642.db2.gz TXARSADDEALTJO-UHFFFAOYSA-N -1 0 546.638 3.754 50 0 KHAARM CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F ZINC000097955846 553834687 /nfs/dbraw/zinc/83/46/87/553834687.db2.gz YHSRVCSUHVYVRU-FQEVSTJZSA-N -1 0 528.534 3.608 50 0 KHAARM CCn1c(=O)/c(=C\C=C2/SC=C(c3ccccc3)N2CCCS(=O)(=O)[O-])s/c1=C\c1sc(-c2ccccc2)c[n+]1CCCS(=O)(=O)[O-] ZINC000097955903 553834877 /nfs/dbraw/zinc/83/48/77/553834877.db2.gz RZZRVJUAGQRJMY-ZIFFJHFCSA-O -1 0 732.973 4.000 50 0 KHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956759 553841509 /nfs/dbraw/zinc/84/15/09/553841509.db2.gz LZYQCGGBEZLGIB-VAVYLYDRSA-N -1 0 528.540 3.911 50 0 KHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956760 553841483 /nfs/dbraw/zinc/84/14/83/553841483.db2.gz LZYQCGGBEZLGIB-IRPSRAIASA-N -1 0 528.540 3.911 50 0 KHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956761 553841536 /nfs/dbraw/zinc/84/15/36/553841536.db2.gz LZYQCGGBEZLGIB-ABYGYWHVSA-N -1 0 528.540 3.911 50 0 KHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956762 553841526 /nfs/dbraw/zinc/84/15/26/553841526.db2.gz LZYQCGGBEZLGIB-SVEHJYQDSA-N -1 0 528.540 3.911 50 0 KHAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])C(C)C)c(=O)oc1c2C ZINC000097956966 553843275 /nfs/dbraw/zinc/84/32/75/553843275.db2.gz BLPIGZFOGFOQRR-LEAFIULHSA-N -1 0 635.739 3.767 50 0 KHAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)NCCCC(=O)[O-])c(C)c2cc1Cl ZINC000097956975 553843332 /nfs/dbraw/zinc/84/33/32/553843332.db2.gz SKPTXJVBNYZGEL-FQEVSTJZSA-N -1 0 549.407 3.668 50 0 KHAARM COc1cc2oc(=O)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)NCCCC(=O)[O-])c(C)c2cc1Cl ZINC000097956976 553843301 /nfs/dbraw/zinc/84/33/01/553843301.db2.gz SKPTXJVBNYZGEL-HXUWFJFHSA-N -1 0 549.407 3.668 50 0 KHAARM Cc1c(O)ccc2c(C)c(CC(=O)N3CCC(C(=O)NCCCCCC(=O)[O-])(c4ccccc4)CC3)c(=O)oc12 ZINC000097956997 553843551 /nfs/dbraw/zinc/84/35/51/553843551.db2.gz QEGNRCLGGDVYBT-UHFFFAOYSA-N -1 0 548.636 3.980 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])oc1c3CCCC1 ZINC000097957017 553843865 /nfs/dbraw/zinc/84/38/65/553843865.db2.gz SZEPLZKMQRUOBF-UIOOFZCWSA-N -1 0 662.765 3.705 50 0 KHAARM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])(c2ccccc2)CC1 ZINC000097957048 553844235 /nfs/dbraw/zinc/84/42/35/553844235.db2.gz NDQOZKWIJOBMQL-DQEYMECFSA-N -1 0 549.668 3.758 50 0 KHAARM Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000097957177 553844830 /nfs/dbraw/zinc/84/48/30/553844830.db2.gz NXKWLMKNJFUVHM-PYZLORERSA-N -1 0 526.380 3.542 50 0 KHAARM Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000097958208 553852034 /nfs/dbraw/zinc/85/20/34/553852034.db2.gz IYZOZPQEGHYJNW-UHFFFAOYSA-N -1 0 532.298 3.710 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@@H]1c1cccs1 ZINC000097958760 553857400 /nfs/dbraw/zinc/85/74/00/553857400.db2.gz QMWSCYCRMFZKDS-XYMPBJBSSA-N -1 0 539.860 3.981 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@H]1c1cccs1 ZINC000097958761 553857378 /nfs/dbraw/zinc/85/73/78/553857378.db2.gz QMWSCYCRMFZKDS-KCPLEYNQSA-N -1 0 539.860 3.981 50 0 KHAARM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1 ZINC000097959639 553865176 /nfs/dbraw/zinc/86/51/76/553865176.db2.gz LTIUFYVMOPWWMY-ZDQFFALBSA-N -1 0 525.586 3.581 50 0 KHAARM CCOc1cc(/C=C2\NC(=O)N(CC)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000097965373 553904110 /nfs/dbraw/zinc/90/41/10/553904110.db2.gz QHCYROMPHWQXHK-YVLHZVERSA-N -1 0 536.322 3.880 50 0 KHAARM CCn1c(=O)/c(=C/C=C2/SC=C(c3ccccc3)N2CCCS(=O)(=O)[O-])s/c1=C\c1scc(-c2ccccc2)[n+]1CCCS(=O)(=O)[O-] ZINC000097965548 553905569 /nfs/dbraw/zinc/90/55/69/553905569.db2.gz QZDKCSDOFUWCFK-MRSWHFBJSA-O -1 0 732.973 4.000 50 0 KHAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4cc(C)c(Cl)cc4C(C)C)o3)[C@H]2SC1 ZINC000097966054 553906793 /nfs/dbraw/zinc/90/67/93/553906793.db2.gz KJTYHADBPJJJNZ-SQJMNOBHSA-N -1 0 563.028 3.859 50 0 KHAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4cc(C)c(Cl)cc4C(C)C)o3)[C@H]2SC1 ZINC000097966055 553906770 /nfs/dbraw/zinc/90/67/70/553906770.db2.gz KJTYHADBPJJJNZ-PXDATVDWSA-N -1 0 563.028 3.859 50 0 KHAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4cc(C)c(Cl)cc4C(C)C)o3)[C@@H]2SC1 ZINC000097966056 553906772 /nfs/dbraw/zinc/90/67/72/553906772.db2.gz KJTYHADBPJJJNZ-OFVILXPXSA-N -1 0 563.028 3.859 50 0 KHAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4cc(C)c(Cl)cc4C(C)C)o3)[C@@H]2SC1 ZINC000097966057 553906794 /nfs/dbraw/zinc/90/67/94/553906794.db2.gz KJTYHADBPJJJNZ-BWKNWUBXSA-N -1 0 563.028 3.859 50 0 KHAARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCCO2 ZINC000097971859 553963557 /nfs/dbraw/zinc/96/35/57/553963557.db2.gz ZEJDJMCHWAOSTK-NRFANRHFSA-N -1 0 572.614 3.947 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCCO2 ZINC000097971860 553963684 /nfs/dbraw/zinc/96/36/84/553963684.db2.gz ZEJDJMCHWAOSTK-OAQYLSRUSA-N -1 0 572.614 3.947 50 0 biogenic KHAARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971880 553963503 /nfs/dbraw/zinc/96/35/03/553963503.db2.gz KSFLTEQSOXQOMK-FQEVSTJZSA-N -1 0 558.587 3.905 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971881 553963407 /nfs/dbraw/zinc/96/34/07/553963407.db2.gz KSFLTEQSOXQOMK-HXUWFJFHSA-N -1 0 558.587 3.905 50 0 biogenic KHAARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)ccc1O ZINC000097971894 553964010 /nfs/dbraw/zinc/96/40/10/553964010.db2.gz HQEKLKHBALNHGG-FQEVSTJZSA-N -1 0 530.577 3.881 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)ccc1O ZINC000097971895 553963899 /nfs/dbraw/zinc/96/38/99/553963899.db2.gz HQEKLKHBALNHGG-HXUWFJFHSA-N -1 0 530.577 3.881 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097971935 553964197 /nfs/dbraw/zinc/96/41/97/553964197.db2.gz XGHCZJUCXUCQDA-LJQANCHMSA-N -1 0 547.560 3.975 50 0 biogenic KHAARM COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097971936 553964282 /nfs/dbraw/zinc/96/42/82/553964282.db2.gz XGHCZJUCXUCQDA-IBGZPJMESA-N -1 0 547.560 3.975 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971973 553964568 /nfs/dbraw/zinc/96/45/68/553964568.db2.gz BBOAGZRUBUEUAU-LJQANCHMSA-N -1 0 545.544 3.989 50 0 biogenic KHAARM COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971974 553964606 /nfs/dbraw/zinc/96/46/06/553964606.db2.gz BBOAGZRUBUEUAU-IBGZPJMESA-N -1 0 545.544 3.989 50 0 biogenic KHAARM COc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1O ZINC000097971987 553965080 /nfs/dbraw/zinc/96/50/80/553965080.db2.gz LPZNSAKESXBWDU-FQEVSTJZSA-N -1 0 530.577 3.881 50 0 biogenic KHAARM COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1O ZINC000097971988 553964829 /nfs/dbraw/zinc/96/48/29/553964829.db2.gz LPZNSAKESXBWDU-HXUWFJFHSA-N -1 0 530.577 3.881 50 0 biogenic KHAARM CN1CCN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097972055 553965707 /nfs/dbraw/zinc/96/57/07/553965707.db2.gz OFLKMXGDNUJBEQ-FQEVSTJZSA-N -1 0 528.561 3.896 50 0 biogenic KHAARM CN1CCN(C(=O)C[C@H](c2ccc3c(c2)OCO3)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097972056 553965630 /nfs/dbraw/zinc/96/56/30/553965630.db2.gz OFLKMXGDNUJBEQ-HXUWFJFHSA-N -1 0 528.561 3.896 50 0 biogenic KHAARM COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097972070 553965566 /nfs/dbraw/zinc/96/55/66/553965566.db2.gz KOQDBNLJBZSLLJ-FQEVSTJZSA-N -1 0 560.603 3.890 50 0 biogenic KHAARM COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097972071 553965737 /nfs/dbraw/zinc/96/57/37/553965737.db2.gz KOQDBNLJBZSLLJ-HXUWFJFHSA-N -1 0 560.603 3.890 50 0 biogenic KHAARM CC(C)(C)OC(=O)NCCNC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000097972147 553966084 /nfs/dbraw/zinc/96/60/84/553966084.db2.gz PFVAFJSUWCTINJ-HXOBKFHXSA-N -1 0 539.585 3.714 50 0 KHAARM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000097972651 553967078 /nfs/dbraw/zinc/96/70/78/553967078.db2.gz GEEYYVYJKIHWKS-OBXRUURASA-N -1 0 594.734 3.991 50 0 KHAARM CCc1cc2c(cc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])occ(-c1nncn1-c1ccccc1)c2=O ZINC000097973022 553967800 /nfs/dbraw/zinc/96/78/00/553967800.db2.gz VRZNNJZWHSODRV-DEOSSOPVSA-N -1 0 538.560 3.794 50 0 KHAARM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097976761 553972450 /nfs/dbraw/zinc/97/24/50/553972450.db2.gz MLYBJSLTWDQSGD-UHFFFAOYSA-N -1 0 654.689 3.616 50 0 KHAARM O=C1c2ccccc2C(=CNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000097980458 553988688 /nfs/dbraw/zinc/98/86/88/553988688.db2.gz HRZYYDYYEGKKPJ-HZHRSRAPSA-N -1 0 555.572 3.642 50 0 KHAARM COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097980619 553989870 /nfs/dbraw/zinc/98/98/70/553989870.db2.gz FYDBHXQGKIEHDG-CVDFKLHSSA-N -1 0 527.574 3.800 50 0 KHAARM COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097980620 553989941 /nfs/dbraw/zinc/98/99/41/553989941.db2.gz FYDBHXQGKIEHDG-GFGNLIMNSA-N -1 0 527.574 3.800 50 0 KHAARM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc2ccccc2c1 ZINC000097981286 553992757 /nfs/dbraw/zinc/99/27/57/553992757.db2.gz HREANPLFSQVDOZ-UHFFFAOYSA-N -1 0 530.546 3.603 50 0 KHAARM CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000097982336 554001231 /nfs/dbraw/zinc/00/12/31/554001231.db2.gz CVPSMDIDNRMRES-UHFFFAOYSA-N -1 0 570.693 3.858 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NC(=O)c2cccs2)ccc1N1CCOCC1 ZINC000097982337 554001276 /nfs/dbraw/zinc/00/12/76/554001276.db2.gz PKSVXUMEHLPFOV-UHFFFAOYSA-N -1 0 532.669 3.521 50 0 KHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=S)NC(=O)C3CC3)ccc2OC)cc1Br ZINC000097982367 554001607 /nfs/dbraw/zinc/00/16/07/554001607.db2.gz FELGGVCHETUPMF-UHFFFAOYSA-N -1 0 528.450 3.880 50 0 KHAARM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097982880 554005606 /nfs/dbraw/zinc/00/56/06/554005606.db2.gz VZDOAPCYQBMJFV-UHFFFAOYSA-N -1 0 554.021 3.553 50 0 KHAARM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000097982881 554005728 /nfs/dbraw/zinc/00/57/28/554005728.db2.gz NEGZLSQFPGYNGY-UHFFFAOYSA-N -1 0 572.011 3.692 50 0 KHAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097982884 554005752 /nfs/dbraw/zinc/00/57/52/554005752.db2.gz XSWPLZGPKPUXIT-UHFFFAOYSA-N -1 0 554.021 3.553 50 0 KHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1C ZINC000097982893 554006033 /nfs/dbraw/zinc/00/60/33/554006033.db2.gz MJIATQKWZQNLFA-UHFFFAOYSA-N -1 0 642.800 3.831 50 0 KHAARM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000097982917 554006265 /nfs/dbraw/zinc/00/62/65/554006265.db2.gz AMQVZNFFOURGLU-UHFFFAOYSA-N -1 0 594.509 3.832 50 0 KHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000097984629 554017912 /nfs/dbraw/zinc/01/79/12/554017912.db2.gz ZRBYAXVZYSWKIG-UHFFFAOYSA-N -1 0 560.057 3.849 50 0 KHAARM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000097987844 554027374 /nfs/dbraw/zinc/02/73/74/554027374.db2.gz XFUGUIUICUBYII-OAQYLSRUSA-N -1 0 543.671 3.791 50 0 KHAARM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000097987845 554027461 /nfs/dbraw/zinc/02/74/61/554027461.db2.gz XFUGUIUICUBYII-NRFANRHFSA-N -1 0 543.671 3.791 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)cc2)s1 ZINC000097993276 554030909 /nfs/dbraw/zinc/03/09/09/554030909.db2.gz ACGVSSMQBAHZJQ-UHFFFAOYSA-N -1 0 583.717 3.901 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)s1 ZINC000097993277 554030902 /nfs/dbraw/zinc/03/09/02/554030902.db2.gz AGLNONNBYZMIHA-UHFFFAOYSA-N -1 0 549.700 3.574 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)s1 ZINC000097993278 554030749 /nfs/dbraw/zinc/03/07/49/554030749.db2.gz LAXOHVGGFGDUMB-INIZCTEOSA-N -1 0 549.700 3.574 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc2)s1 ZINC000097993279 554030739 /nfs/dbraw/zinc/03/07/39/554030739.db2.gz LAXOHVGGFGDUMB-MRXNPFEDSA-N -1 0 549.700 3.574 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2)s1 ZINC000097993280 554030883 /nfs/dbraw/zinc/03/08/83/554030883.db2.gz RTHRCOAZEJYFQI-UHFFFAOYSA-N -1 0 557.679 3.979 50 0 KHAARM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nnc(CC)s3)cc2)cc1 ZINC000097993281 554030842 /nfs/dbraw/zinc/03/08/42/554030842.db2.gz YUYUVRFPQKSOBS-UHFFFAOYSA-N -1 0 551.716 3.964 50 0 KHAARM CCCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC1)C[C@H](C)CC2 ZINC000098008170 554066662 /nfs/dbraw/zinc/06/66/62/554066662.db2.gz KOEYSCYLDVVSGU-MRXNPFEDSA-N -1 0 598.751 3.782 50 0 KHAARM CCCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC1)C[C@@H](C)CC2 ZINC000098008171 554066684 /nfs/dbraw/zinc/06/66/84/554066684.db2.gz KOEYSCYLDVVSGU-INIZCTEOSA-N -1 0 598.751 3.782 50 0 KHAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4scc(-c5ccc(C)cc5)c4C(=O)OC)CC3)nc21 ZINC000098008217 554066905 /nfs/dbraw/zinc/06/69/05/554066905.db2.gz DSPGXZSABUUFJR-UHFFFAOYSA-N -1 0 592.703 3.852 50 0 KHAARM CCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC1)C[C@H](CC)CC2 ZINC000098008258 554066994 /nfs/dbraw/zinc/06/69/94/554066994.db2.gz YHNMGSFWECWQSW-MRXNPFEDSA-N -1 0 598.751 3.782 50 0 KHAARM CCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC1)C[C@@H](CC)CC2 ZINC000098008259 554066984 /nfs/dbraw/zinc/06/69/84/554066984.db2.gz YHNMGSFWECWQSW-INIZCTEOSA-N -1 0 598.751 3.782 50 0 KHAARM CCN1CCN(C2=C(c3c(=O)n(-c4ccccc4)[n-]c3-c3ccccc3)C(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000098012486 554091272 /nfs/dbraw/zinc/09/12/72/554091272.db2.gz BYQZZMPRXAJZSM-UHFFFAOYSA-N -1 0 563.614 3.896 50 0 KHAARM COc1ccc(N2C(=O)C(c3c(-c4ccccc4)[n-]n(C(C)(C)C)c3=O)=C(N3CCOCC3)C2=O)c(OC)c1 ZINC000098012487 554091267 /nfs/dbraw/zinc/09/12/67/554091267.db2.gz KFAIUCNLONFRST-UHFFFAOYSA-N -1 0 532.597 3.645 50 0 KHAARM COc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(Cl)cc4)[n-]c3C(C)C)=C(N3CCN(C)CC3)C2=O)cc1 ZINC000098012491 554091252 /nfs/dbraw/zinc/09/12/52/554091252.db2.gz IXYXVAHJYULOHJ-UHFFFAOYSA-N -1 0 536.032 3.895 50 0 KHAARM COc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(Cl)cc4)[n-]c3C(C)C)=C(N3CCN(C)CC3)C2=O)c(OC)c1 ZINC000098012492 554091178 /nfs/dbraw/zinc/09/11/78/554091178.db2.gz OECAYKWSLDTUSR-UHFFFAOYSA-N -1 0 566.058 3.904 50 0 KHAARM COCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(C2CCCCC2)C1=O ZINC000098012495 554091490 /nfs/dbraw/zinc/09/14/90/554091490.db2.gz DAPJSSLGWMJBBJ-UHFFFAOYSA-N -1 0 535.428 3.776 50 0 KHAARM COCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(c2cccc(C)c2)C1=O ZINC000098012496 554091407 /nfs/dbraw/zinc/09/14/07/554091407.db2.gz KHNIMZGXQCUGHE-UHFFFAOYSA-N -1 0 543.407 3.956 50 0 KHAARM Cc1nc(-c2coc3cc(OCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])ccc3c2=O)cs1 ZINC000098036546 1066843068 /nfs/dbraw/zinc/84/30/68/1066843068.db2.gz OAJROMWWXSUTBD-NRFANRHFSA-N -1 0 503.536 3.897 50 0 KHAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000098043545 554128294 /nfs/dbraw/zinc/12/82/94/554128294.db2.gz WXWXTFDDIBLNLG-UHFFFAOYSA-N -1 0 566.690 3.838 50 0 KHAARM COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000098045679 554133279 /nfs/dbraw/zinc/13/32/79/554133279.db2.gz YNONQZVVRZQPFD-UHFFFAOYSA-N -1 0 543.410 3.773 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000098045997 554134942 /nfs/dbraw/zinc/13/49/42/554134942.db2.gz YAPLCPJIZWPFGF-URORMMCBSA-N -1 0 540.555 3.814 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000098045999 554134955 /nfs/dbraw/zinc/13/49/55/554134955.db2.gz PCYNKWCZNZLSDF-MYKRZTLLSA-N -1 0 536.592 3.983 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3C)cc2)no1 ZINC000098046285 554137589 /nfs/dbraw/zinc/13/75/89/554137589.db2.gz XUPYVVXUJRAITI-UHFFFAOYSA-N -1 0 539.433 3.747 50 0 KHAARM COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000098047937 554157639 /nfs/dbraw/zinc/15/76/39/554157639.db2.gz NTSWSFRDRUZWRM-GOSISDBHSA-N -1 0 530.580 3.592 50 0 KHAARM COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000098047938 554157715 /nfs/dbraw/zinc/15/77/15/554157715.db2.gz NTSWSFRDRUZWRM-SFHVURJKSA-N -1 0 530.580 3.592 50 0 KHAARM CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)CC1 ZINC000098049129 554163211 /nfs/dbraw/zinc/16/32/11/554163211.db2.gz OKFZMFNCGUUFFF-UHFFFAOYSA-N -1 0 531.432 3.784 50 0 KHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc1)c2=O ZINC000098049270 554164714 /nfs/dbraw/zinc/16/47/14/554164714.db2.gz BXZDVXAMKVBJQC-UHFFFAOYSA-N -1 0 589.693 3.975 50 0 KHAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCN(C(=O)c2ccco2)CC1 ZINC000098049359 554165394 /nfs/dbraw/zinc/16/53/94/554165394.db2.gz HKPFKIOZWRUTSB-UHFFFAOYSA-N -1 0 533.448 3.960 50 0 KHAARM COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)CC1 ZINC000098049476 554166436 /nfs/dbraw/zinc/16/64/36/554166436.db2.gz FUFMZZRCNKHUSB-UHFFFAOYSA-N -1 0 530.606 3.807 50 0 KHAARM Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c(O)c2c1 ZINC000098049775 554168709 /nfs/dbraw/zinc/16/87/09/554168709.db2.gz PLNOTNCLAVOHMP-UHFFFAOYSA-N -1 0 544.677 3.928 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100069240 554200627 /nfs/dbraw/zinc/20/06/27/554200627.db2.gz VOUUHYBWLHGXFZ-XSZPGNIMSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100069242 554200606 /nfs/dbraw/zinc/20/06/06/554200606.db2.gz VOUUHYBWLHGXFZ-XXMKCSCWSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)c1sc([N-]c2ncc(C(=O)OCC)c(CSc3nnnn3-c3ccccc3)n2)nc1C ZINC000100125930 554225044 /nfs/dbraw/zinc/22/50/44/554225044.db2.gz VEHVDXZMVACEMJ-UHFFFAOYSA-N -1 0 526.604 3.607 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100174380 554240153 /nfs/dbraw/zinc/24/01/53/554240153.db2.gz MWOVKSYSAJGBLZ-XSZPGNIMSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100174384 554240166 /nfs/dbraw/zinc/24/01/66/554240166.db2.gz MWOVKSYSAJGBLZ-XXMKCSCWSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100185861 554242713 /nfs/dbraw/zinc/24/27/13/554242713.db2.gz HGTIQWVEUSAMIN-XSZPGNIMSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000100185865 554242766 /nfs/dbraw/zinc/24/27/66/554242766.db2.gz HGTIQWVEUSAMIN-XXMKCSCWSA-N -1 0 544.585 3.765 50 0 KHAARM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000100230432 554256091 /nfs/dbraw/zinc/25/60/91/554256091.db2.gz JVILFANCFWZBFU-ZGIBFIJWSA-N -1 0 619.763 3.724 50 0 in-vitro KHAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(I)c3)C2=O)cc1 ZINC000100275475 554271910 /nfs/dbraw/zinc/27/19/10/554271910.db2.gz KLMJYOLFQZEMPM-RQZCQDPDSA-N -1 0 552.346 3.738 50 0 KHAARM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000100275605 554272207 /nfs/dbraw/zinc/27/22/07/554272207.db2.gz KMRVCIPRZMCUOU-RQZCQDPDSA-N -1 0 582.372 3.747 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000100305914 554294094 /nfs/dbraw/zinc/29/40/94/554294094.db2.gz JIDFJGTVGSHEKS-RPXHZFJKSA-N -1 0 533.831 3.920 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000100305917 554294075 /nfs/dbraw/zinc/29/40/75/554294075.db2.gz JIDFJGTVGSHEKS-DMVFFGLYSA-N -1 0 533.831 3.920 50 0 KHAARM O=C([O-])c1cc(I)cc(I)c1NC(=O)c1ccc(F)cc1 ZINC000100338637 554322831 /nfs/dbraw/zinc/32/28/31/554322831.db2.gz NPABHZDVANKZKV-UHFFFAOYSA-N -1 0 511.028 3.985 50 0 KHAARM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCC(=O)[O-] ZINC000100343102 554328728 /nfs/dbraw/zinc/32/87/28/554328728.db2.gz HZJIMDJXZACIQK-DJKKODMXSA-N -1 0 548.957 3.664 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100533236 554411116 /nfs/dbraw/zinc/41/11/16/554411116.db2.gz MWOVKSYSAJGBLZ-LWUPDDLQSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100533238 554411137 /nfs/dbraw/zinc/41/11/37/554411137.db2.gz MWOVKSYSAJGBLZ-GJFKPFFXSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100533972 554411437 /nfs/dbraw/zinc/41/14/37/554411437.db2.gz OWYUSVORIAVXGF-RTXJXEIKSA-N -1 0 533.389 3.539 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100533977 554411419 /nfs/dbraw/zinc/41/14/19/554411419.db2.gz OWYUSVORIAVXGF-FFMVHGEESA-N -1 0 533.389 3.539 50 0 KHAARM COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1OC ZINC000100547087 554414422 /nfs/dbraw/zinc/41/44/22/554414422.db2.gz JSGWECRPVZHAME-UNOMPAQXSA-N -1 0 560.635 3.636 50 0 KHAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1cc(I)c([O-])c(I)c1O ZINC000100556292 554416358 /nfs/dbraw/zinc/41/63/58/554416358.db2.gz ZABUKKKHIARDJH-GFCCVEGCSA-N -1 0 596.111 3.809 50 0 KHAARM COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1cc(I)c([O-])c(I)c1O ZINC000100556295 554416305 /nfs/dbraw/zinc/41/63/05/554416305.db2.gz ZABUKKKHIARDJH-LBPRGKRZSA-N -1 0 596.111 3.809 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000100618577 554433862 /nfs/dbraw/zinc/43/38/62/554433862.db2.gz QQNGCWWEPIXKJC-LMSRTUJASA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000100618580 554433866 /nfs/dbraw/zinc/43/38/66/554433866.db2.gz QQNGCWWEPIXKJC-RISWYLRJSA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000100618595 554433850 /nfs/dbraw/zinc/43/38/50/554433850.db2.gz IPQHJKGCGGULKY-LMSRTUJASA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000100618598 554433861 /nfs/dbraw/zinc/43/38/61/554433861.db2.gz IPQHJKGCGGULKY-RISWYLRJSA-N -1 0 574.611 3.774 50 0 KHAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[n-]c(=S)n2-c2ccc(Br)cc2)cc1 ZINC000100626071 554434976 /nfs/dbraw/zinc/43/49/76/554434976.db2.gz YYGQTKAYYQXQJJ-UHFFFAOYSA-N -1 0 524.466 3.653 50 0 KHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000100636457 554435801 /nfs/dbraw/zinc/43/58/01/554435801.db2.gz HVJHDECCEIKVMZ-IYZJKTGWSA-N -1 0 521.310 3.927 50 0 KHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000100636460 554435741 /nfs/dbraw/zinc/43/57/41/554435741.db2.gz HVJHDECCEIKVMZ-CCQQUTMYSA-N -1 0 521.310 3.927 50 0 KHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000100636463 554435785 /nfs/dbraw/zinc/43/57/85/554435785.db2.gz HVJHDECCEIKVMZ-YRSZXAOTSA-N -1 0 521.310 3.927 50 0 KHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000100636466 554435824 /nfs/dbraw/zinc/43/58/24/554435824.db2.gz HVJHDECCEIKVMZ-HRZAVBMWSA-N -1 0 521.310 3.927 50 0 KHAARM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3O)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100742034 554463139 /nfs/dbraw/zinc/46/31/39/554463139.db2.gz ACLGXRIJZFFEHK-NFBKMPQASA-N -1 0 502.504 3.929 50 0 KHAARM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3O)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100742036 554463193 /nfs/dbraw/zinc/46/31/93/554463193.db2.gz ACLGXRIJZFFEHK-NZQKXSOJSA-N -1 0 502.504 3.929 50 0 KHAARM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3O)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100742038 554463168 /nfs/dbraw/zinc/46/31/68/554463168.db2.gz ACLGXRIJZFFEHK-OFNKIYASSA-N -1 0 502.504 3.929 50 0 KHAARM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3O)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100742039 554463196 /nfs/dbraw/zinc/46/31/96/554463196.db2.gz ACLGXRIJZFFEHK-REWPJTCUSA-N -1 0 502.504 3.929 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100746187 554464758 /nfs/dbraw/zinc/46/47/58/554464758.db2.gz HGTIQWVEUSAMIN-LWUPDDLQSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000100746189 554464869 /nfs/dbraw/zinc/46/48/69/554464869.db2.gz HGTIQWVEUSAMIN-GJFKPFFXSA-N -1 0 544.585 3.765 50 0 KHAARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1Cc1c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c1=O)OCO2 ZINC000100755384 554467146 /nfs/dbraw/zinc/46/71/46/554467146.db2.gz WPWHXARGGMHUIZ-JOCHJYFZSA-N -1 0 563.994 3.834 50 0 biogenic KHAARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1Cc1c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c1=O)OCO2 ZINC000100755388 554467154 /nfs/dbraw/zinc/46/71/54/554467154.db2.gz WPWHXARGGMHUIZ-QFIPXVFZSA-N -1 0 563.994 3.834 50 0 biogenic KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100811423 554475192 /nfs/dbraw/zinc/47/51/92/554475192.db2.gz RHVWNFVCPCWEGX-XSZPGNIMSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000100811425 554475206 /nfs/dbraw/zinc/47/52/06/554475206.db2.gz RHVWNFVCPCWEGX-XXMKCSCWSA-N -1 0 544.585 3.765 50 0 KHAARM O=C([O-])CC[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000100813741 554475482 /nfs/dbraw/zinc/47/54/82/554475482.db2.gz VALXZLYABQRCIW-SVBPBHIXSA-N -1 0 590.629 3.898 50 0 KHAARM O=C([O-])CC[C@@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000100813742 554475536 /nfs/dbraw/zinc/47/55/36/554475536.db2.gz VALXZLYABQRCIW-RRPNLBNLSA-N -1 0 590.629 3.898 50 0 KHAARM O=C([O-])CC[C@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000100813745 554475558 /nfs/dbraw/zinc/47/55/58/554475558.db2.gz VALXZLYABQRCIW-SXOMAYOGSA-N -1 0 590.629 3.898 50 0 KHAARM O=C([O-])CC[C@@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000100813747 554475576 /nfs/dbraw/zinc/47/55/76/554475576.db2.gz VALXZLYABQRCIW-KAYWLYCHSA-N -1 0 590.629 3.898 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100814810 554475882 /nfs/dbraw/zinc/47/58/82/554475882.db2.gz SDIHIJLDQSRKDT-WVWKGNOCSA-N -1 0 520.588 3.818 50 0 KHAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100814813 554475784 /nfs/dbraw/zinc/47/57/84/554475784.db2.gz SDIHIJLDQSRKDT-IMEWXKHHSA-N -1 0 520.588 3.818 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000100859903 554494412 /nfs/dbraw/zinc/49/44/12/554494412.db2.gz ZRKNTBZKTMDLDC-RNXOBYDBSA-N -1 0 526.528 3.505 50 0 aggregator KHAARM COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100872847 554501593 /nfs/dbraw/zinc/50/15/93/554501593.db2.gz ISTQZVSIMOCXAM-QPLCGJKRSA-N -1 0 559.691 3.603 50 0 KHAARM COC(=O)Cn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100876222 554504115 /nfs/dbraw/zinc/50/41/15/554504115.db2.gz MYGIDYDQEIOFFU-RQZHXJHFSA-N -1 0 553.618 3.513 50 0 KHAARM CC(C)c1ccc(-n2nc(C(=O)[O-])c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)c3c2=O)cc1 ZINC000100966355 554543284 /nfs/dbraw/zinc/54/32/84/554543284.db2.gz WHIAMYGLQRDHKA-UHFFFAOYSA-N -1 0 540.623 3.771 50 0 KHAARM Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)CCCC3 ZINC000100976611 554547002 /nfs/dbraw/zinc/54/70/02/554547002.db2.gz JTNDDKTVIOCRCT-UHFFFAOYSA-N -1 0 547.709 3.862 50 0 KHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccncc4)n3Cc3ccco3)cc2)nc(C)n1 ZINC000100977592 554547221 /nfs/dbraw/zinc/54/72/21/554547221.db2.gz GCIKXUCFCJTGMC-UHFFFAOYSA-N -1 0 576.664 3.920 50 0 KHAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1 ZINC000100991046 554550072 /nfs/dbraw/zinc/55/00/72/554550072.db2.gz KQALXJNXEZKZFR-ZPEWRENVSA-N -1 0 609.077 3.685 50 0 KHAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1 ZINC000100991050 554550117 /nfs/dbraw/zinc/55/01/17/554550117.db2.gz KQALXJNXEZKZFR-RKIARWQSSA-N -1 0 609.077 3.685 50 0 KHAARM CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000101025993 554563846 /nfs/dbraw/zinc/56/38/46/554563846.db2.gz KMXPLPZRVOHYTJ-HNNXBMFYSA-N -1 0 535.873 3.632 50 0 KHAARM CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000101025994 554563833 /nfs/dbraw/zinc/56/38/33/554563833.db2.gz KMXPLPZRVOHYTJ-OAHLLOKOSA-N -1 0 535.873 3.632 50 0 KHAARM CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3Br)n(C)c(=O)n4C)cc2c1C ZINC000101121835 554643857 /nfs/dbraw/zinc/64/38/57/554643857.db2.gz ONKXABZWWHXRTK-UHFFFAOYSA-N -1 0 522.377 3.672 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc(Br)cc1F ZINC000101272545 554701182 /nfs/dbraw/zinc/70/11/82/554701182.db2.gz CBHDFGQLSQJTIM-UHFFFAOYSA-N -1 0 577.251 3.998 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc(Cl)cc1F ZINC000101272559 554701191 /nfs/dbraw/zinc/70/11/91/554701191.db2.gz XZXQTXZUJIIBSO-UHFFFAOYSA-N -1 0 532.800 3.889 50 0 KHAARM COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[n-]2)cc1Cl ZINC000101274641 554702408 /nfs/dbraw/zinc/70/24/08/554702408.db2.gz PFHXWOGNZIMSAM-UHFFFAOYSA-N -1 0 535.047 3.596 50 0 KHAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)NCCCC(=O)[O-] ZINC000101371144 554744430 /nfs/dbraw/zinc/74/44/30/554744430.db2.gz FJEUITGPIUOOFE-NRFANRHFSA-N -1 0 542.654 3.878 50 0 KHAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000101406881 554761966 /nfs/dbraw/zinc/76/19/66/554761966.db2.gz RRRISKMRFNCRAN-UHFFFAOYSA-N -1 0 565.681 3.848 50 0 KHAARM O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2nc2c1CCCCC2 ZINC000101425319 554768234 /nfs/dbraw/zinc/76/82/34/554768234.db2.gz JFEMAVZAUJSTJM-UHFFFAOYSA-N -1 0 535.666 3.962 50 0 KHAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](CSCc3ccccc3)C(=O)NCC(=O)[O-])c(C)c21 ZINC000101489032 554785632 /nfs/dbraw/zinc/78/56/32/554785632.db2.gz CNRZAYAOGHCRJF-HXUWFJFHSA-N -1 0 536.606 3.626 50 0 KHAARM CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000101511913 554793150 /nfs/dbraw/zinc/79/31/50/554793150.db2.gz POLYZUJNCSFHMR-UHFFFAOYSA-N -1 0 529.640 3.808 50 0 KHAARM CC(C)N1C(=O)S/C(=C\c2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O ZINC000101644716 554815125 /nfs/dbraw/zinc/81/51/25/554815125.db2.gz VKRKMDPYUUZLNW-WZUFQYTHSA-N -1 0 573.146 3.804 50 0 KHAARM Cc1c(C)c(S(=O)(=O)N(CCC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])C(=N)N)c(C)c2c1OC(C)(C)CC2 ZINC000101652936 554817354 /nfs/dbraw/zinc/81/73/54/554817354.db2.gz GYXGPBYNELKHPZ-QFIPXVFZSA-N -1 0 574.700 3.759 50 0 KHAARM COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000101656811 554819461 /nfs/dbraw/zinc/81/94/61/554819461.db2.gz GHWRHWABXYJMCO-KKSFZXQISA-N -1 0 541.605 3.589 50 0 KHAARM COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000101656815 554819470 /nfs/dbraw/zinc/81/94/70/554819470.db2.gz GHWRHWABXYJMCO-IERDGZPVSA-N -1 0 541.605 3.589 50 0 KHAARM COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000101656818 554819431 /nfs/dbraw/zinc/81/94/31/554819431.db2.gz GHWRHWABXYJMCO-HRAATJIYSA-N -1 0 541.605 3.589 50 0 KHAARM COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000101656822 554819497 /nfs/dbraw/zinc/81/94/97/554819497.db2.gz GHWRHWABXYJMCO-IIBYNOLFSA-N -1 0 541.605 3.589 50 0 KHAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])(c2ccccc2)CC1 ZINC000101669671 554823061 /nfs/dbraw/zinc/82/30/61/554823061.db2.gz FWWGPNQXFHKYAI-UIOOFZCWSA-N -1 0 561.679 3.984 50 0 KHAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673140 554826633 /nfs/dbraw/zinc/82/66/33/554826633.db2.gz WHBBKNRUIOKGMO-WVXBCFDCSA-N -1 0 554.006 3.581 50 0 KHAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673145 554826581 /nfs/dbraw/zinc/82/65/81/554826581.db2.gz WHBBKNRUIOKGMO-DJUQAAIZSA-N -1 0 554.006 3.581 50 0 KHAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673149 554826627 /nfs/dbraw/zinc/82/66/27/554826627.db2.gz WHBBKNRUIOKGMO-YUDQIZAISA-N -1 0 554.006 3.581 50 0 KHAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673152 554826611 /nfs/dbraw/zinc/82/66/11/554826611.db2.gz WHBBKNRUIOKGMO-JHOBJCJYSA-N -1 0 554.006 3.581 50 0 KHAARM CC(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1Oc1cc(C(=O)[O-])nn1C ZINC000101917857 554851137 /nfs/dbraw/zinc/85/11/37/554851137.db2.gz YYJHXEPRAXYAAR-UHFFFAOYSA-N -1 0 526.493 3.868 50 0 KHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])occ3-c1ccc(Br)cc1 ZINC000101968853 554854354 /nfs/dbraw/zinc/85/43/54/554854354.db2.gz UZLSOSZZIAAPCS-HXUWFJFHSA-N -1 0 570.396 3.838 50 0 KHAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000101979040 554863348 /nfs/dbraw/zinc/86/33/48/554863348.db2.gz OWZCGOHKIPTDMM-UHFFFAOYSA-N -1 0 532.626 3.974 50 0 KHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000101999662 554865575 /nfs/dbraw/zinc/86/55/75/554865575.db2.gz IYSCPNWELIZLAB-OIKPOIBNSA-N -1 0 506.566 3.920 50 0 KHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000101999667 554865570 /nfs/dbraw/zinc/86/55/70/554865570.db2.gz IYSCPNWELIZLAB-WYMJOSIYSA-N -1 0 506.566 3.920 50 0 KHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000102000120 554865843 /nfs/dbraw/zinc/86/58/43/554865843.db2.gz ONHOSMOWWQDRKT-RELGLDOUSA-N -1 0 506.566 3.975 50 0 KHAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000102000125 554865814 /nfs/dbraw/zinc/86/58/14/554865814.db2.gz ONHOSMOWWQDRKT-VXQMPNGUSA-N -1 0 506.566 3.975 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000102001388 554865982 /nfs/dbraw/zinc/86/59/82/554865982.db2.gz TYBYZVMWOIUZKT-URORMMCBSA-N -1 0 522.565 3.675 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000102001673 554866197 /nfs/dbraw/zinc/86/61/97/554866197.db2.gz PCYNKWCZNZLSDF-RZDMPUFOSA-N -1 0 536.592 3.983 50 0 KHAARM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2OCC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000102037451 554869104 /nfs/dbraw/zinc/86/91/04/554869104.db2.gz JSMGLDZUHVRZCI-UHFFFAOYSA-N -1 0 538.604 3.926 50 0 KHAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1 ZINC000102102678 554882096 /nfs/dbraw/zinc/88/20/96/554882096.db2.gz KQALXJNXEZKZFR-GZSXLKKWSA-N -1 0 609.077 3.685 50 0 KHAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1 ZINC000102102681 554882058 /nfs/dbraw/zinc/88/20/58/554882058.db2.gz KQALXJNXEZKZFR-HNSSDMNUSA-N -1 0 609.077 3.685 50 0 KHAARM Cc1c(NC(=O)c2cc(C(=O)c3cc(Br)ccc3[O-])coc2=N)c(=O)n(-c2ccccc2)n1C ZINC000102217503 554898661 /nfs/dbraw/zinc/89/86/61/554898661.db2.gz KKMRTGWFKADTQH-UHFFFAOYSA-N -1 0 523.343 3.508 50 0 KHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc1)c2=O ZINC000102221654 554899359 /nfs/dbraw/zinc/89/93/59/554899359.db2.gz ZAXFTWOQVHIEAT-UHFFFAOYSA-N -1 0 544.633 3.865 50 0 KHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc1)c2=O ZINC000102221671 554899384 /nfs/dbraw/zinc/89/93/84/554899384.db2.gz WZVVHYKLMJXRTG-UHFFFAOYSA-N -1 0 528.634 3.852 50 0 KHAARM C[C@H](NC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O)c1ccc2c(c1)OCCO2 ZINC000102262685 554905157 /nfs/dbraw/zinc/90/51/57/554905157.db2.gz SAJWOXMFHGTGKP-HNNXBMFYSA-N -1 0 523.542 3.730 50 0 KHAARM C[C@@H](NC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O)c1ccc2c(c1)OCCO2 ZINC000102262688 554905122 /nfs/dbraw/zinc/90/51/22/554905122.db2.gz SAJWOXMFHGTGKP-OAHLLOKOSA-N -1 0 523.542 3.730 50 0 KHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000102314091 554910251 /nfs/dbraw/zinc/91/02/51/554910251.db2.gz JEMUUCAYLRISAW-UHFFFAOYSA-N -1 0 532.626 3.776 50 0 KHAARM CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(Br)s4)ccc3n2)CC1 ZINC000102314342 554910595 /nfs/dbraw/zinc/91/05/95/554910595.db2.gz IYSPGFYTNFSOIQ-UHFFFAOYSA-N -1 0 525.450 3.700 50 0 KHAARM CCOc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000102314655 554911029 /nfs/dbraw/zinc/91/10/29/554911029.db2.gz MSIAAOGAOFLOLP-UHFFFAOYSA-N -1 0 533.610 3.854 50 0 KHAARM O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc21 ZINC000102314728 554911086 /nfs/dbraw/zinc/91/10/86/554911086.db2.gz KNSFJDNICBXZQQ-UHFFFAOYSA-N -1 0 525.537 3.734 50 0 KHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1C ZINC000102314768 554911318 /nfs/dbraw/zinc/91/13/18/554911318.db2.gz QZKLKBHEFRMYTF-UHFFFAOYSA-N -1 0 532.626 3.776 50 0 KHAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C(=O)[O-])c2c1 ZINC000102314825 554911398 /nfs/dbraw/zinc/91/13/98/554911398.db2.gz FKLHPJYIRZYPDA-UHFFFAOYSA-N -1 0 539.017 3.812 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000102435379 554927791 /nfs/dbraw/zinc/92/77/91/554927791.db2.gz YAPLCPJIZWPFGF-DOEKTCAHSA-N -1 0 540.555 3.814 50 0 KHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000102497246 554941025 /nfs/dbraw/zinc/94/10/25/554941025.db2.gz QGJYMDGLIUFPFT-QRQCRPRQSA-N -1 0 538.984 3.977 50 0 KHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C)C(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000102497251 554941093 /nfs/dbraw/zinc/94/10/93/554941093.db2.gz QGJYMDGLIUFPFT-IVZQSRNASA-N -1 0 538.984 3.977 50 0 KHAARM CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000102606192 554979093 /nfs/dbraw/zinc/97/90/93/554979093.db2.gz YUQKVWRZDGAAHI-UHFFFAOYSA-N -1 0 541.529 3.529 50 0 KHAARM O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1)NCc1ccc(Cl)cc1 ZINC000102606199 554979005 /nfs/dbraw/zinc/97/90/05/554979005.db2.gz UFUQKBFGXYPKLN-UHFFFAOYSA-N -1 0 517.938 3.683 50 0 KHAARM Cc1cc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)[n-]c2=O)ccc1Br ZINC000102606226 554979020 /nfs/dbraw/zinc/97/90/20/554979020.db2.gz XICRMHWTUCZCKJ-UHFFFAOYSA-N -1 0 530.372 3.683 50 0 KHAARM CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)c(C)c3)c(=O)[n-]2)c1 ZINC000102606236 554979074 /nfs/dbraw/zinc/97/90/74/554979074.db2.gz PONCLTAGTXQOAS-UHFFFAOYSA-N -1 0 522.446 3.967 50 0 KHAARM CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)c(C)c3)c(=O)[n-]2)cc1 ZINC000102606241 554978967 /nfs/dbraw/zinc/97/89/67/554978967.db2.gz SUQZKEHEGAGLSK-UHFFFAOYSA-N -1 0 522.446 3.967 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(=O)OCC)cc3)[n-]c2=O)cc1 ZINC000102606459 554979458 /nfs/dbraw/zinc/97/94/58/554979458.db2.gz GYNKMMGFDUHCLQ-UHFFFAOYSA-N -1 0 529.640 3.853 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)[n-]c2=O)cc1 ZINC000102606502 554979526 /nfs/dbraw/zinc/97/95/26/554979526.db2.gz IJACYLZTMQZJRT-UHFFFAOYSA-N -1 0 547.655 3.702 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(=O)OCC)c3)[n-]c2=O)cc1 ZINC000102606522 554979578 /nfs/dbraw/zinc/97/95/78/554979578.db2.gz MSGLHJBPSRJRFF-UHFFFAOYSA-N -1 0 529.640 3.853 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(=O)OCC)[n-]c2=O)cc1 ZINC000102606530 554979497 /nfs/dbraw/zinc/97/94/97/554979497.db2.gz ROUPJJOUVSNZHM-UHFFFAOYSA-N -1 0 529.640 3.853 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[n-]c2=O)cc1 ZINC000102606572 554979491 /nfs/dbraw/zinc/97/94/91/554979491.db2.gz XAMUWJHMOBXRBD-UHFFFAOYSA-N -1 0 544.674 3.525 50 0 KHAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[n-]c2=O)cc1 ZINC000102606577 554979475 /nfs/dbraw/zinc/97/94/75/554979475.db2.gz ORYBQELSAPBWQC-UHFFFAOYSA-N -1 0 544.674 3.525 50 0 KHAARM CN1c2ccc(-c3noc(C[N-]S(=O)(=O)c4cccc5nsnc54)n3)cc2Sc2ccccc2C1=O ZINC000102699982 555012679 /nfs/dbraw/zinc/01/26/79/555012679.db2.gz QIZIRCIYCPPTIO-UHFFFAOYSA-N -1 0 536.620 3.961 50 0 KHAARM CCOC(=O)C(C=Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1)C(=O)OCC ZINC000102704639 555014022 /nfs/dbraw/zinc/01/40/22/555014022.db2.gz DAQKSJPWBRFFGV-UHFFFAOYSA-N -1 0 531.631 3.908 50 0 KHAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCCN1CCN(c2ccccc2F)CC1 ZINC000102755174 555047101 /nfs/dbraw/zinc/04/71/01/555047101.db2.gz INQSWMPIXFIVAH-UHFFFAOYSA-N -1 0 555.676 3.816 50 0 KHAARM O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000102755312 555046998 /nfs/dbraw/zinc/04/69/98/555046998.db2.gz QJBARHQTHTVGQN-UHFFFAOYSA-N -1 0 575.666 3.917 50 0 KHAARM O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000102755322 555047027 /nfs/dbraw/zinc/04/70/27/555047027.db2.gz WBSICYNPHHQJTE-UHFFFAOYSA-N -1 0 514.607 3.794 50 0 KHAARM COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1OC ZINC000102755411 555047424 /nfs/dbraw/zinc/04/74/24/555047424.db2.gz XVWIMGAGTAUBAV-UHFFFAOYSA-N -1 0 540.686 3.832 50 0 KHAARM O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)NCCCN1CCN(c2ccccc2F)CC1 ZINC000102756184 555048797 /nfs/dbraw/zinc/04/87/97/555048797.db2.gz BOQNBJQCEJDFMJ-UHFFFAOYSA-N -1 0 596.773 3.924 50 0 KHAARM O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000102756188 555048715 /nfs/dbraw/zinc/04/87/15/555048715.db2.gz WTFWEOQJPFMDTD-UHFFFAOYSA-N -1 0 539.677 3.944 50 0 KHAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cc(C)ccc2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102798711 555072115 /nfs/dbraw/zinc/07/21/15/555072115.db2.gz HCPQWODSTSVZLK-UHFFFAOYSA-N -1 0 542.614 3.657 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000102831165 555078917 /nfs/dbraw/zinc/07/89/17/555078917.db2.gz ZRKNTBZKTMDLDC-SKBVVQJISA-N -1 0 526.528 3.505 50 0 aggregator KHAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102832337 555079343 /nfs/dbraw/zinc/07/93/43/555079343.db2.gz FVBPIKPEJLZFBE-GOSISDBHSA-N -1 0 556.641 3.985 50 0 KHAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102832341 555079367 /nfs/dbraw/zinc/07/93/67/555079367.db2.gz FVBPIKPEJLZFBE-SFHVURJKSA-N -1 0 556.641 3.985 50 0 KHAARM CCOC(=O)[C@@]([N-]c1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)(NC(=O)c1ccccc1)C(F)(F)F ZINC000102887643 555119805 /nfs/dbraw/zinc/11/98/05/555119805.db2.gz ALROULMQKPXAPP-FCHUYYIVSA-N -1 0 566.451 3.672 50 0 KHAARM CCOC(=O)[C@](O)(c1ccc(OC)c([N-][C@@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000102887645 555119918 /nfs/dbraw/zinc/11/99/18/555119918.db2.gz ALROULMQKPXAPP-FGZHOGPDSA-N -1 0 566.451 3.672 50 0 KHAARM CCOC(=O)[C@@](O)(c1ccc(OC)c([N-][C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000102887647 555119913 /nfs/dbraw/zinc/11/99/13/555119913.db2.gz ALROULMQKPXAPP-VXKWHMMOSA-N -1 0 566.451 3.672 50 0 KHAARM CCOC(=O)[C@](O)(c1ccc(OC)c([N-][C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000102887649 555119824 /nfs/dbraw/zinc/11/98/24/555119824.db2.gz ALROULMQKPXAPP-YADHBBJMSA-N -1 0 566.451 3.672 50 0 KHAARM O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000102896730 555136899 /nfs/dbraw/zinc/13/68/99/555136899.db2.gz GCMUAFDEVLJJGF-UHFFFAOYSA-N -1 0 535.397 3.764 50 0 KHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000102909291 555142148 /nfs/dbraw/zinc/14/21/48/555142148.db2.gz RFUBORBTKNFCPQ-UHFFFAOYSA-N -1 0 553.666 3.958 50 0 KHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C/c4cccs4)C3=O)cc2)c1C ZINC000102921935 555147169 /nfs/dbraw/zinc/14/71/69/555147169.db2.gz ADUVSGYLXSTNRK-LICLKQGHSA-N -1 0 518.598 3.829 50 0 KHAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)cc1 ZINC000102923117 555147808 /nfs/dbraw/zinc/14/78/08/555147808.db2.gz BYCFDMZZOXSLFZ-UHFFFAOYSA-N -1 0 576.701 3.501 50 0 KHAARM O=C([O-])c1cn(C2CC2)c2cc(N3CCN([C@H]4CC(=O)N(c5cc(Cl)cc(Cl)c5)C4=O)CC3)c(F)cc2c1=O ZINC000102923413 555148105 /nfs/dbraw/zinc/14/81/05/555148105.db2.gz FBSSPRXOJAKKHP-QHCPKHFHSA-N -1 0 573.408 3.935 50 0 KHAARM O=C([O-])c1cn(C2CC2)c2cc(N3CCN([C@@H]4CC(=O)N(c5cc(Cl)cc(Cl)c5)C4=O)CC3)c(F)cc2c1=O ZINC000102923414 555148026 /nfs/dbraw/zinc/14/80/26/555148026.db2.gz 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GWBXALJMVQVLJS-UHFFFAOYSA-N -1 0 531.612 3.649 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3/C(=C\Nc3cccc(=O)[nH]3)C2=O)c1 ZINC000102931032 1066534810 /nfs/dbraw/zinc/53/48/10/1066534810.db2.gz OZZIMGCYBBNIQX-OQKWZONESA-N -1 0 542.573 3.824 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3/C(=C/Nc3cccc(=O)[nH]3)C2=O)c1 ZINC000102931035 555158227 /nfs/dbraw/zinc/15/82/27/555158227.db2.gz OZZIMGCYBBNIQX-XLNRJJMWSA-N -1 0 542.573 3.824 50 0 KHAARM O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000102938344 555166652 /nfs/dbraw/zinc/16/66/52/555166652.db2.gz IPJKYRHRBDCPBS-UHFFFAOYSA-N -1 0 529.571 3.950 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000102938478 555166992 /nfs/dbraw/zinc/16/69/92/555166992.db2.gz SUMAZCUNRMKPNK-UHFFFAOYSA-N -1 0 545.639 3.629 50 0 KHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102938666 555167164 /nfs/dbraw/zinc/16/71/64/555167164.db2.gz 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555412276 /nfs/dbraw/zinc/41/22/76/555412276.db2.gz DQBPDJIQXRPEPQ-UHFFFAOYSA-N -1 0 574.656 3.979 50 0 KHAARM Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000103438624 555418832 /nfs/dbraw/zinc/41/88/32/555418832.db2.gz NGYKQPKFQWCHMP-UHFFFAOYSA-N -1 0 549.694 3.748 50 0 KHAARM CSC[C@H](NC(=O)[C@@H](CSC)NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000103514686 555422725 /nfs/dbraw/zinc/42/27/25/555422725.db2.gz LOHSFCIPKICUKD-RTWAWAEBSA-N -1 0 614.742 3.723 50 0 KHAARM CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)N[C@H](CSC)C(=O)[O-] ZINC000103514689 555422698 /nfs/dbraw/zinc/42/26/98/555422698.db2.gz LOHSFCIPKICUKD-LEWJYISDSA-N -1 0 614.742 3.723 50 0 KHAARM CSC[C@@H](NC(=O)[C@@H](CSC)NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)[O-] ZINC000103514692 555422650 /nfs/dbraw/zinc/42/26/50/555422650.db2.gz LOHSFCIPKICUKD-NHCUHLMSSA-N -1 0 614.742 3.723 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000103700282 555463833 /nfs/dbraw/zinc/46/38/33/555463833.db2.gz NSHNBZPSXXOCEK-RZDMPUFOSA-N -1 0 536.592 3.983 50 0 KHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)s1 ZINC000103818870 1066298038 /nfs/dbraw/zinc/29/80/38/1066298038.db2.gz NMJHZHKTSMHXJI-UHFFFAOYSA-N -1 0 526.621 3.914 50 0 KHAARM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 ZINC000103869234 571368095 /nfs/dbraw/zinc/36/80/95/571368095.db2.gz KRELAXVLAXJLST-BHIFYINESA-N -1 0 524.346 3.857 50 0 KHAARM COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1 ZINC000103869298 571368080 /nfs/dbraw/zinc/36/80/80/571368080.db2.gz IZTDELJNRZBKSB-XPWALMASSA-N -1 0 536.382 3.726 50 0 KHAARM COc1c2c(cc(CCN(C)C(C)=O)c1C(C)=C1C(=O)[N-]C(=O)N(c3ccc(I)cc3)C1=O)OCO2 ZINC000104033707 571371476 /nfs/dbraw/zinc/37/14/76/571371476.db2.gz MZVBMKAOVQCHDM-DEDYPNTBSA-N -1 0 605.385 3.946 50 0 KHAARM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000104841001 1066886420 /nfs/dbraw/zinc/88/64/20/1066886420.db2.gz OFIBQNGDYNGUEZ-IYUNARRTSA-N -1 0 594.734 3.991 50 0 KHAARM CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000104996648 562825151 /nfs/dbraw/zinc/82/51/51/562825151.db2.gz YJQPYGGHQPGBLI-RRYSNUMESA-N -1 0 612.632 3.627 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000105092447 571391285 /nfs/dbraw/zinc/39/12/85/571391285.db2.gz CZSKENFQEHWLAS-UHFFFAOYSA-N -1 0 567.668 3.736 50 0 KHAARM COc1cccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3C(C)(C)C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000105092470 571391319 /nfs/dbraw/zinc/39/13/19/571391319.db2.gz ZONDVJCMEAGXQV-UHFFFAOYSA-N -1 0 585.683 3.634 50 0 KHAARM COc1ccccc1C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000105092476 571391280 /nfs/dbraw/zinc/39/12/80/571391280.db2.gz PSFHQRBMDBBHMW-UHFFFAOYSA-N -1 0 585.683 3.634 50 0 KHAARM COc1ccc(CC(=O)N[C@H](NC(=S)Nc2cccc(C(=O)[O-])c2)C(Cl)(Cl)Cl)cc1OC ZINC000105876836 1066513507 /nfs/dbraw/zinc/51/35/07/1066513507.db2.gz QSIDVCLVXSBIIK-GOSISDBHSA-N -1 0 520.822 3.744 50 0 KHAARM COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2cccc(C(=O)[O-])c2)C(Cl)(Cl)Cl)cc1OC ZINC000105876838 1066513823 /nfs/dbraw/zinc/51/38/23/1066513823.db2.gz QSIDVCLVXSBIIK-SFHVURJKSA-N -1 0 520.822 3.744 50 0 KHAARM COc1ccc(CC(=O)N[C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1OC ZINC000106418998 1066327573 /nfs/dbraw/zinc/32/75/73/1066327573.db2.gz UPDLDZLBXBHRML-GOSISDBHSA-N -1 0 520.822 3.744 50 0 KHAARM COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1OC ZINC000106419000 1066327558 /nfs/dbraw/zinc/32/75/58/1066327558.db2.gz UPDLDZLBXBHRML-SFHVURJKSA-N -1 0 520.822 3.744 50 0 KHAARM COc1ccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3C(C)(C)C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000106887914 571418514 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571418698 /nfs/dbraw/zinc/41/86/98/571418698.db2.gz AAWVDOPKLWOVDX-UHFFFAOYSA-N -1 0 627.651 3.656 50 0 KHAARM COCCNS(=O)(=O)c1cc(NC(=O)Cc2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000106890110 571418635 /nfs/dbraw/zinc/41/86/35/571418635.db2.gz IZFBAMWCRXGWRB-UHFFFAOYSA-N -1 0 588.639 3.978 50 0 KHAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000106921395 571418712 /nfs/dbraw/zinc/41/87/12/571418712.db2.gz GPAAHICNMJCTOC-UHFFFAOYSA-N -1 0 556.641 3.903 50 0 KHAARM CC[C@H](C)c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](O[C@H](C)C(=O)[O-])[C@@H]2NC(C)=O)cc1 ZINC000107174662 571419857 /nfs/dbraw/zinc/41/98/57/571419857.db2.gz WODZXGDTHGVULD-CELDANOJSA-N -1 0 513.587 3.781 50 0 KHAARM Cc1ccccc1C(=O)Nc1ccc(Oc2cc(C(=O)[O-])nn2C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000107407774 571420067 /nfs/dbraw/zinc/42/00/67/571420067.db2.gz HEWPNFFWPBFCKH-UHFFFAOYSA-N -1 0 564.576 3.679 50 0 KHAARM 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ZINC000150436721 571496389 /nfs/dbraw/zinc/49/63/89/571496389.db2.gz LQSYYNYGWICNRY-UHFFFAOYSA-N -1 0 661.766 3.769 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)ccc1N1CCOCC1 ZINC000150438346 571497067 /nfs/dbraw/zinc/49/70/67/571497067.db2.gz PGWYCXWKLLLCNN-UHFFFAOYSA-N -1 0 699.852 3.596 50 0 KHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)ccc1N1CCOCC1 ZINC000150438427 571497001 /nfs/dbraw/zinc/49/70/01/571497001.db2.gz KCJPMONFUCLNFZ-UHFFFAOYSA-N -1 0 699.852 3.596 50 0 KHAARM COc1ccc(C(c2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1C[NH+]1CCCC1 ZINC000150442447 571498936 /nfs/dbraw/zinc/49/89/36/571498936.db2.gz KHBKAXKETRLARA-UHFFFAOYSA-N -1 0 645.619 3.664 50 0 KHAARM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000150448734 571501716 /nfs/dbraw/zinc/50/17/16/571501716.db2.gz HKTOJRVENNZNLD-UHFFFAOYSA-N -1 0 655.582 3.904 50 0 KHAARM 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CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000207646609 571573210 /nfs/dbraw/zinc/57/32/10/571573210.db2.gz PSSMFCODGOWOEB-PZLFKVRWSA-N -1 0 733.723 3.683 50 0 KHAARM CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000207646651 571573222 /nfs/dbraw/zinc/57/32/22/571573222.db2.gz PSSMFCODGOWOEB-XLFRZKAGSA-N -1 0 733.723 3.683 50 0 KHAARM COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)cc1 ZINC000210104774 571575995 /nfs/dbraw/zinc/57/59/95/571575995.db2.gz KWPOTZWLXFFKQH-LFVJCYFKSA-N -1 0 649.682 3.730 50 0 KHAARM CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000215967922 571589906 /nfs/dbraw/zinc/58/99/06/571589906.db2.gz PSSMFCODGOWOEB-HGRSZUBTSA-N -1 0 733.723 3.683 50 0 KHAARM CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000215967961 571589900 /nfs/dbraw/zinc/58/99/00/571589900.db2.gz PSSMFCODGOWOEB-GZDZBTFTSA-N -1 0 733.723 3.683 50 0 KHAARM COC(=O)COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)ccc1OC ZINC000217890630 1066514793 /nfs/dbraw/zinc/51/47/93/1066514793.db2.gz PDOAFNLPYNXTQM-INIZCTEOSA-N -1 0 548.500 3.881 50 0 KHAARM COC(=O)COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)ccc1OC ZINC000217890738 1066515327 /nfs/dbraw/zinc/51/53/27/1066515327.db2.gz PDOAFNLPYNXTQM-MRXNPFEDSA-N -1 0 548.500 3.881 50 0 KHAARM COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(C(=O)[O-])cc2)o1 ZINC000217914896 1066515436 /nfs/dbraw/zinc/51/54/36/1066515436.db2.gz LCQDMKGXAORGMQ-OAQYLSRUSA-N -1 0 502.523 3.778 50 0 KHAARM COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(C(=O)[O-])cc2)o1 ZINC000217914989 1066515574 /nfs/dbraw/zinc/51/55/74/1066515574.db2.gz LCQDMKGXAORGMQ-NRFANRHFSA-N -1 0 502.523 3.778 50 0 KHAARM COc1cc([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2oc(C)cc(=O)c2O)ccc1OCC(=O)[O-] ZINC000217928203 1066515565 /nfs/dbraw/zinc/51/55/65/1066515565.db2.gz DEOYAAARPBIWRY-FQEVSTJZSA-N -1 0 532.549 3.714 50 0 KHAARM COc1cc([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2oc(C)cc(=O)c2O)ccc1OCC(=O)[O-] ZINC000217928292 1066515378 /nfs/dbraw/zinc/51/53/78/1066515378.db2.gz DEOYAAARPBIWRY-HXUWFJFHSA-N -1 0 532.549 3.714 50 0 KHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000225518988 571888120 /nfs/dbraw/zinc/88/81/20/571888120.db2.gz RWOUOOQJXSSANA-QHCPKHFHSA-N -1 0 515.385 3.971 50 0 KHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000225519019 571888149 /nfs/dbraw/zinc/88/81/49/571888149.db2.gz RWOUOOQJXSSANA-HSZRJFAPSA-N -1 0 515.385 3.971 50 0 KHAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000226722371 572140100 /nfs/dbraw/zinc/14/01/00/572140100.db2.gz GZUCNTPLJFNDCK-NIDLKEISSA-N -1 0 550.472 3.914 50 0 KHAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000226728326 572140809 /nfs/dbraw/zinc/14/08/09/572140809.db2.gz DDNBIKIMHZHHII-GPXOXTDOSA-N -1 0 544.518 3.959 50 0 KHAARM Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000226827270 572142823 /nfs/dbraw/zinc/14/28/23/572142823.db2.gz NXKWLMKNJFUVHM-HYLXINJXSA-N -1 0 526.380 3.542 50 0 KHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000227175607 572151065 /nfs/dbraw/zinc/15/10/65/572151065.db2.gz NSHNBZPSXXOCEK-KJYTXNCISA-N -1 0 536.592 3.983 50 0 KHAARM O=C(OC[C@@H]1O[C@H](n2ncc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000227291850 572153496 /nfs/dbraw/zinc/15/34/96/572153496.db2.gz SZFMEFKXFONLHR-VHXCZSFDSA-N -1 0 573.583 3.919 50 0 KHAARM 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CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252673997 572278489 /nfs/dbraw/zinc/27/84/89/572278489.db2.gz RTLCOTTVJUQUDY-VWLOTQADSA-N -1 0 544.585 3.765 50 0 KHAARM CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000252675017 572278812 /nfs/dbraw/zinc/27/88/12/572278812.db2.gz SQVOQFSRBILWOM-DEOSSOPVSA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252675018 572278888 /nfs/dbraw/zinc/27/88/88/572278888.db2.gz SQVOQFSRBILWOM-XMMPIXPASA-N -1 0 514.559 3.757 50 0 KHAARM CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252676650 572280435 /nfs/dbraw/zinc/28/04/35/572280435.db2.gz XRXBZEOSLTWRSX-AREMUKBSSA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252676651 572280390 /nfs/dbraw/zinc/28/03/90/572280390.db2.gz XRXBZEOSLTWRSX-SANMLTNESA-N -1 0 574.611 3.774 50 0 KHAARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000252677693 572281115 /nfs/dbraw/zinc/28/11/15/572281115.db2.gz ZODNFQXRQNNTTK-KRWDZBQOSA-N -1 0 678.311 3.775 50 0 KHAARM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000252677694 572281056 /nfs/dbraw/zinc/28/10/56/572281056.db2.gz ZODNFQXRQNNTTK-QGZVFWFLSA-N -1 0 678.311 3.775 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252693317 572281528 /nfs/dbraw/zinc/28/15/28/572281528.db2.gz CBWJKXILXQCQBK-FXILAVBZSA-N -1 0 517.667 3.661 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252693318 572281557 /nfs/dbraw/zinc/28/15/57/572281557.db2.gz CBWJKXILXQCQBK-SVXFZJLFSA-N -1 0 517.667 3.661 50 0 KHAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000252694432 562881782 /nfs/dbraw/zinc/88/17/82/562881782.db2.gz KNKLOMDMKABDAR-MLCQCVOFSA-N -1 0 517.667 3.661 50 0 KHAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000252694464 572281627 /nfs/dbraw/zinc/28/16/27/572281627.db2.gz LDWLOOALTYTPDA-JKLQHZFJSA-N -1 0 503.640 3.791 50 0 KHAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000252694465 572281690 /nfs/dbraw/zinc/28/16/90/572281690.db2.gz LDWLOOALTYTPDA-ZHHKINOHSA-N -1 0 503.640 3.791 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000252694490 572281635 /nfs/dbraw/zinc/28/16/35/572281635.db2.gz LJFXMYJWGWDOHP-FTSHXLFYSA-N -1 0 503.640 3.791 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000252694491 572281743 /nfs/dbraw/zinc/28/17/43/572281743.db2.gz LJFXMYJWGWDOHP-OOOLTRJPSA-N -1 0 503.640 3.791 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000252694545 562881768 /nfs/dbraw/zinc/88/17/68/562881768.db2.gz LYMXNSRLLOTYJX-FXILAVBZSA-N -1 0 517.667 3.661 50 0 KHAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000252694546 562881771 /nfs/dbraw/zinc/88/17/71/562881771.db2.gz LYMXNSRLLOTYJX-SVXFZJLFSA-N -1 0 517.667 3.661 50 0 KHAARM CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000252694554 572281789 /nfs/dbraw/zinc/28/17/89/572281789.db2.gz MBSFIHXGCSJSQZ-ZZTDLJEGSA-N -1 0 547.718 3.594 50 0 KHAARM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252694566 562881769 /nfs/dbraw/zinc/88/17/69/562881769.db2.gz MKUWTLUBAZBQTF-CWBXHPNXSA-N -1 0 517.667 3.661 50 0 KHAARM CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252694567 572281737 /nfs/dbraw/zinc/28/17/37/572281737.db2.gz MKUWTLUBAZBQTF-MLCQCVOFSA-N -1 0 517.667 3.661 50 0 KHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000252694818 572281715 /nfs/dbraw/zinc/28/17/15/572281715.db2.gz QMOCMIMHTHCRRA-BELIEFIBSA-N -1 0 537.657 3.987 50 0 KHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000253387702 572282631 /nfs/dbraw/zinc/28/26/31/572282631.db2.gz ZYBXFVWSQYBVRU-CQJMVLFOSA-N -1 0 551.684 3.857 50 0 KHAARM CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000253387753 572282757 /nfs/dbraw/zinc/28/27/57/572282757.db2.gz IWRKIHCCVLZYGK-OPXMRZJTSA-N -1 0 555.672 3.966 50 0 KHAARM CCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000253387754 572282753 /nfs/dbraw/zinc/28/27/53/572282753.db2.gz IWRKIHCCVLZYGK-YNJKOYDBSA-N -1 0 555.672 3.966 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-] ZINC000253397385 572284327 /nfs/dbraw/zinc/28/43/27/572284327.db2.gz BKGMBKWOGOKVGW-IWWVAPJASA-N -1 0 583.682 3.671 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253399661 572284889 /nfs/dbraw/zinc/28/48/89/572284889.db2.gz DEHGZUUVVNBUTM-BDYUSTAISA-N -1 0 617.699 3.867 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253401478 572285301 /nfs/dbraw/zinc/28/53/01/572285301.db2.gz FQSGRPBPQBKHQG-XWGVYQGASA-N -1 0 647.816 3.719 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253408607 572287074 /nfs/dbraw/zinc/28/70/74/572287074.db2.gz KWYBZZXBLAESJZ-NGQVCNFZSA-N -1 0 603.672 3.997 50 0 KHAARM CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCC(=O)[O-] ZINC000253408890 572287088 /nfs/dbraw/zinc/28/70/88/572287088.db2.gz LESMDTYXFYVGCT-BZWCRFLISA-N -1 0 583.682 3.671 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCC(C(=O)[O-])CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412216 572287850 /nfs/dbraw/zinc/28/78/50/572287850.db2.gz QFNWWGJSUVACKS-FIPFOOKPSA-N -1 0 595.693 3.623 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412725 572288101 /nfs/dbraw/zinc/28/81/01/572288101.db2.gz RURCGPHVJDGIML-BDYUSTAISA-N -1 0 628.682 3.568 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCC(C(=O)[O-])CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412774 572288252 /nfs/dbraw/zinc/28/82/52/572288252.db2.gz RYZJVSUMDZOCQO-ZCYQVOJMSA-N -1 0 627.760 3.720 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412801 572288242 /nfs/dbraw/zinc/28/82/42/572288242.db2.gz SBSMLFPQABXQCW-IYRXFJASSA-N -1 0 589.645 3.606 50 0 KHAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C)C(=O)[O-] ZINC000253412900 572288229 /nfs/dbraw/zinc/28/82/29/572288229.db2.gz SKLQNUFSHDVXOT-WSZNKNOJSA-N -1 0 597.709 3.915 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253413175 572288407 /nfs/dbraw/zinc/28/84/07/572288407.db2.gz UBABXVKHTMRBBQ-MYIHVTGJSA-N -1 0 615.749 3.622 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414020 572288661 /nfs/dbraw/zinc/28/86/61/572288661.db2.gz WFWWSOQEOLQCNT-PUUVEUEGSA-N -1 0 583.682 3.525 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H](CCSC)C(=O)[O-])C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414122 572288648 /nfs/dbraw/zinc/28/86/48/572288648.db2.gz WOCXSWOZSWYOKM-MYIHVTGJSA-N -1 0 615.749 3.622 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414608 572288958 /nfs/dbraw/zinc/28/89/58/572288958.db2.gz XYOFGSQBRNUECO-QHCPKHFHSA-N -1 0 583.682 3.816 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414806 572289028 /nfs/dbraw/zinc/28/90/28/572289028.db2.gz YRFOYCDDMIJVSV-YFCOXDMTSA-N -1 0 642.709 3.957 50 0 KHAARM CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000253415034 572289171 /nfs/dbraw/zinc/28/91/71/572289171.db2.gz ZKSVNIVLMIZLIZ-UDHADFHQSA-N -1 0 597.709 3.915 50 0 KHAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253415143 572289122 /nfs/dbraw/zinc/28/91/22/572289122.db2.gz ZTKPZZYDRQXJON-QHCPKHFHSA-N -1 0 583.682 3.816 50 0 KHAARM COc1cc(NC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC ZINC000253470729 572289483 /nfs/dbraw/zinc/28/94/83/572289483.db2.gz BPLYWJQLJBSZTK-KRWDZBQOSA-N -1 0 529.542 3.866 50 0 KHAARM 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O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)C3CCCCC3)CC2)C(=O)NCCC(=O)N1 ZINC000952862879 1066524095 /nfs/dbraw/zinc/52/40/95/1066524095.db2.gz RXMCMRYBLFNETN-MHZLTWQESA-N -1 0 561.679 3.842 50 0 KHAARM O=C([O-])c1cc2cc(c1)C(=O)NCCC(=O)N[C@H]1CN(c3ccc(C(F)(F)F)cn3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863382 1066525107 /nfs/dbraw/zinc/52/51/07/1066525107.db2.gz ILXGWKYHOHYIHH-GOTSBHOMSA-N -1 0 570.524 3.615 50 0 KHAARM O=C(c1ccccc1O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952864093 1066526178 /nfs/dbraw/zinc/52/61/78/1066526178.db2.gz LFFBVSRHBRLCKS-BHBYDHKZSA-N -1 0 521.577 3.838 50 0 KHAARM CCC(C)(C)C(=O)N1CCC2(Cc3cccc(c3)Oc3ccc(cc3)C[C@@H](C(=O)[O-])NC(=O)CCNC2=O)CC1 ZINC000952864111 1066525990 /nfs/dbraw/zinc/52/59/90/1066525990.db2.gz LHBSFMCSPZMZTG-VWLOTQADSA-N -1 0 549.668 3.698 50 0 KHAARM O=C([O-])COc1ccccc1CN1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952864677 1066527523 /nfs/dbraw/zinc/52/75/23/1066527523.db2.gz 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