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)c3nn(C)cc3I)cc2)ncn1 ZINC000000679927 551523734 /nfs/dbraw/zinc/52/37/34/551523734.db2.gz USRZVCGFRYFURB-UHFFFAOYSA-N -1 0 514.305 1.876 50 0 KDAARM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1 ZINC000001802386 551703777 /nfs/dbraw/zinc/70/37/77/551703777.db2.gz KIDRGWXHRHDOOW-UHFFFAOYSA-N -1 0 563.614 1.568 50 0 KDAARM CC1(C)O[C@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000001839491 551713510 /nfs/dbraw/zinc/71/35/10/551713510.db2.gz NEZKPXFSPBYPFW-DLBZZEGUSA-N -1 0 562.601 1.334 50 0 biogenic KDAARM CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000001839492 551713534 /nfs/dbraw/zinc/71/35/34/551713534.db2.gz NEZKPXFSPBYPFW-AIDNLNPPSA-N -1 0 562.601 1.334 50 0 biogenic KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccccc4I)CC3)nc21 ZINC000001851361 551715611 /nfs/dbraw/zinc/71/56/11/551715611.db2.gz VSBVZJATDBJXDR-UHFFFAOYSA-N -1 0 592.419 1.951 50 0 KDAARM O=C([O-])CN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 ZINC000001856392 1066343169 /nfs/dbraw/zinc/34/31/69/1066343169.db2.gz IVBGIFXMUDNZGX-MAEIDHKBSA-N -1 0 517.404 1.639 50 0 KDAARM NC(=[NH2+])NCCC[C@H](NC(=O)COc1cc([O-])c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)C(=O)[O-] ZINC000002090387 1066203694 /nfs/dbraw/zinc/20/36/94/1066203694.db2.gz MVNQWNFQRWBWGT-INIZCTEOSA-N -1 0 526.502 1.148 50 0 KDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)nc(OC)n1 ZINC000002096627 551761895 /nfs/dbraw/zinc/76/18/95/551761895.db2.gz VKVRVHCZXSVEMU-UHFFFAOYSA-N -1 0 521.577 1.797 50 0 KDAARM COc1ccc(CCn2c(=O)[nH]c([O-])c([C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2=O)cc1OC ZINC000002129525 551772454 /nfs/dbraw/zinc/77/24/54/551772454.db2.gz DXCSGVNHONLCGK-NRFANRHFSA-N -1 0 511.531 1.817 50 0 biogenic KDAARM COc1ccc(CCn2c(=O)[nH]c([O-])c([C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2=O)cc1OC ZINC000002129527 551772356 /nfs/dbraw/zinc/77/23/56/551772356.db2.gz DXCSGVNHONLCGK-OAQYLSRUSA-N -1 0 511.531 1.817 50 0 biogenic KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Cl)nc4)CC3)nc21 ZINC000002192563 551790892 /nfs/dbraw/zinc/79/08/92/551790892.db2.gz AQEQAKFDBVLBEZ-UHFFFAOYSA-N -1 0 501.956 1.395 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(F)c(F)c4)CC3)nc21 ZINC000002316313 552092722 /nfs/dbraw/zinc/09/27/22/552092722.db2.gz HREGVEAJKXHWDN-UHFFFAOYSA-N -1 0 502.503 1.625 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc5c(c4)OCO5)CC3)nc21 ZINC000002330459 551809384 /nfs/dbraw/zinc/80/93/84/551809384.db2.gz UTSDRQYRWYRLQE-UHFFFAOYSA-N -1 0 510.532 1.075 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccccc4Cl)CC3)nc21 ZINC000002338038 552097492 /nfs/dbraw/zinc/09/74/92/552097492.db2.gz SABUKEOFSIQPPZ-UHFFFAOYSA-N -1 0 500.968 2.000 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc5c(c4)OCO5)CC3)nc21 ZINC000002349210 552099787 /nfs/dbraw/zinc/09/97/87/552099787.db2.gz BPOOGIQVWPXRPW-UHFFFAOYSA-N -1 0 527.534 1.819 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Cl)cc4)CC3)nc21 ZINC000002357856 552101634 /nfs/dbraw/zinc/10/16/34/552101634.db2.gz PXBOAOTYMJGFTK-UHFFFAOYSA-N -1 0 500.968 2.000 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(C(C)=O)cc4)CC3)nc21 ZINC000002358839 552101767 /nfs/dbraw/zinc/10/17/67/552101767.db2.gz VNNMIIIATOOBOW-UHFFFAOYSA-N -1 0 508.560 1.549 50 0 KDAARM Cc1cccc(OC[C@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000002408627 552113144 /nfs/dbraw/zinc/11/31/44/552113144.db2.gz UPNPBXQPNPSPDZ-QUCCMNQESA-N -1 0 507.547 1.290 50 0 KDAARM Cc1cccc(OC[C@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000002408629 552113149 /nfs/dbraw/zinc/11/31/49/552113149.db2.gz UPNPBXQPNPSPDZ-UYAOXDASSA-N -1 0 507.547 1.290 50 0 KDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000002649177 552145903 /nfs/dbraw/zinc/14/59/03/552145903.db2.gz OSYGMWISIPLCBM-FQEVSTJZSA-N -1 0 511.578 1.224 50 0 KDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000002654885 552148415 /nfs/dbraw/zinc/14/84/15/552148415.db2.gz KLCWTYHUSVJNFZ-UHFFFAOYSA-N -1 0 521.552 1.690 50 0 KDAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(C(F)(F)F)n3N)cc2)nc(C)n1 ZINC000002656969 552149380 /nfs/dbraw/zinc/14/93/80/552149380.db2.gz WXCZNGULRKGPNT-UHFFFAOYSA-N -1 0 502.504 1.949 50 0 KDAARM COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(CC(=O)[O-])C4=O)c(=O)n32)cc1 ZINC000002668380 552152214 /nfs/dbraw/zinc/15/22/14/552152214.db2.gz VPLBQARAWNCQMJ-UGUGFTGJSA-N -1 0 547.589 1.997 50 0 KDAARM COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(CC(=O)[O-])C4=O)c(=O)n32)cc1 ZINC000002668382 552152259 /nfs/dbraw/zinc/15/22/59/552152259.db2.gz VPLBQARAWNCQMJ-FEYWKWKCSA-N -1 0 547.589 1.997 50 0 KDAARM COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002671476 552152906 /nfs/dbraw/zinc/15/29/06/552152906.db2.gz XRTCDGROPHYTHN-SADKCHQCSA-N -1 0 519.535 1.218 50 0 KDAARM COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002671478 552152835 /nfs/dbraw/zinc/15/28/35/552152835.db2.gz XRTCDGROPHYTHN-AGGMBTAESA-N -1 0 519.535 1.218 50 0 KDAARM CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002704597 552160026 /nfs/dbraw/zinc/16/00/26/552160026.db2.gz RVDNLGOMRQIRTF-VFJWVMJUSA-N -1 0 533.562 1.608 50 0 KDAARM CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002704601 552159951 /nfs/dbraw/zinc/15/99/51/552159951.db2.gz RVDNLGOMRQIRTF-RKKARLDVSA-N -1 0 533.562 1.608 50 0 KDAARM COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002709288 552160368 /nfs/dbraw/zinc/16/03/68/552160368.db2.gz UCMPFKGNQLBOPA-UGUGFTGJSA-N -1 0 577.571 1.144 50 0 KDAARM COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002709292 552160498 /nfs/dbraw/zinc/16/04/98/552160498.db2.gz UCMPFKGNQLBOPA-FEYWKWKCSA-N -1 0 577.571 1.144 50 0 KDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1 ZINC000002709314 552160730 /nfs/dbraw/zinc/16/07/30/552160730.db2.gz YRTFWNHPCYLUTP-UHFFFAOYSA-N -1 0 517.589 1.859 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 ZINC000002730753 552168185 /nfs/dbraw/zinc/16/81/85/552168185.db2.gz KEWFPRTVCZZPJJ-IUODEOHRSA-N -1 0 534.567 1.901 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1 ZINC000002730754 552168165 /nfs/dbraw/zinc/16/81/65/552168165.db2.gz KEWFPRTVCZZPJJ-SWLSCSKDSA-N -1 0 534.567 1.901 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1 ZINC000002730755 552168187 /nfs/dbraw/zinc/16/81/87/552168187.db2.gz KEWFPRTVCZZPJJ-DOMZBBRYSA-N -1 0 534.567 1.901 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1 ZINC000002730756 552168113 /nfs/dbraw/zinc/16/81/13/552168113.db2.gz KEWFPRTVCZZPJJ-WFASDCNBSA-N -1 0 534.567 1.901 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1 ZINC000002730769 552168176 /nfs/dbraw/zinc/16/81/76/552168176.db2.gz UYNAOHKTVNWMQR-CZUORRHYSA-N -1 0 515.042 1.844 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1 ZINC000002730770 552168184 /nfs/dbraw/zinc/16/81/84/552168184.db2.gz UYNAOHKTVNWMQR-XJKSGUPXSA-N -1 0 515.042 1.844 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@@H]3SC2)s1 ZINC000002730771 552168155 /nfs/dbraw/zinc/16/81/55/552168155.db2.gz UYNAOHKTVNWMQR-CJNGLKHVSA-N -1 0 515.042 1.844 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@@H]3SC2)s1 ZINC000002730772 552168170 /nfs/dbraw/zinc/16/81/70/552168170.db2.gz UYNAOHKTVNWMQR-BBRMVZONSA-N -1 0 515.042 1.844 50 0 KDAARM CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]12)n1nc(C)c(Cl)c1C ZINC000002730926 552168266 /nfs/dbraw/zinc/16/82/66/552168266.db2.gz NXNMTXPUPIYCKG-ZUCKAHLUSA-N -1 0 527.032 1.159 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4ncc(Cl)c4C)[C@H]3SC2)s1 ZINC000002732737 552168815 /nfs/dbraw/zinc/16/88/15/552168815.db2.gz CMDBCEFATJNRLA-IUODEOHRSA-N -1 0 501.015 1.536 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4ncc(Cl)c4C)[C@H]3SC2)s1 ZINC000002732738 552168824 /nfs/dbraw/zinc/16/88/24/552168824.db2.gz CMDBCEFATJNRLA-SWLSCSKDSA-N -1 0 501.015 1.536 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4ncc(Cl)c4C)[C@@H]3SC2)s1 ZINC000002732739 552168784 /nfs/dbraw/zinc/16/87/84/552168784.db2.gz CMDBCEFATJNRLA-DOMZBBRYSA-N -1 0 501.015 1.536 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4ncc(Cl)c4C)[C@@H]3SC2)s1 ZINC000002732740 552168829 /nfs/dbraw/zinc/16/88/29/552168829.db2.gz CMDBCEFATJNRLA-WFASDCNBSA-N -1 0 501.015 1.536 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@H]3SC2)s1 ZINC000002732761 552168845 /nfs/dbraw/zinc/16/88/45/552168845.db2.gz ZSZSAKWJVDKMID-BLLLJJGKSA-N -1 0 516.577 1.820 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@@H]3SC2)s1 ZINC000002732762 552168838 /nfs/dbraw/zinc/16/88/38/552168838.db2.gz ZSZSAKWJVDKMID-WBMJQRKESA-N -1 0 516.577 1.820 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@@H]3SC2)s1 ZINC000002732763 552168843 /nfs/dbraw/zinc/16/88/43/552168843.db2.gz ZSZSAKWJVDKMID-LRDDRELGSA-N -1 0 516.577 1.820 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4nn(C)cc4Br)[C@@H]3SC2)s1 ZINC000002735412 552169819 /nfs/dbraw/zinc/16/98/19/552169819.db2.gz AHEMKARJZWJBKW-HZMBPMFUSA-N -1 0 531.439 1.487 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4nn(C)cc4Br)[C@H]3SC2)s1 ZINC000002735413 552169845 /nfs/dbraw/zinc/16/98/45/552169845.db2.gz AHEMKARJZWJBKW-IINYFYTJSA-N -1 0 531.439 1.487 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4nn(C)cc4Br)[C@@H]3SC2)s1 ZINC000002735414 552169788 /nfs/dbraw/zinc/16/97/88/552169788.db2.gz AHEMKARJZWJBKW-YGRLFVJLSA-N -1 0 531.439 1.487 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4nn(C)cc4Br)[C@H]3SC2)s1 ZINC000002735415 552169805 /nfs/dbraw/zinc/16/98/05/552169805.db2.gz AHEMKARJZWJBKW-QMTHXVAHSA-N -1 0 531.439 1.487 50 0 KDAARM CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12 ZINC000002743780 552172626 /nfs/dbraw/zinc/17/26/26/552172626.db2.gz ZOPFOHDSFBKCKW-MEBBXXQBSA-N -1 0 545.466 1.970 50 0 KDAARM CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12 ZINC000002743781 552172659 /nfs/dbraw/zinc/17/26/59/552172659.db2.gz ZOPFOHDSFBKCKW-ZUZCIYMTSA-N -1 0 545.466 1.970 50 0 KDAARM 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/nfs/dbraw/zinc/32/77/84/252327784.db2.gz NEYNJQRKHLUJRU-DZUOILHNSA-N -1 0 767.906 1.520 50 0 world KDAARM COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(C(=O)[O-])cc1OC ZINC000008603693 553096778 /nfs/dbraw/zinc/09/67/78/553096778.db2.gz AAWMTSZVDHHHKS-ZDUSSCGKSA-N -1 0 519.532 1.886 50 0 KDAARM COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(C(=O)[O-])cc1OC ZINC000008603694 553096843 /nfs/dbraw/zinc/09/68/43/553096843.db2.gz AAWMTSZVDHHHKS-CYBMUJFWSA-N -1 0 519.532 1.886 50 0 KDAARM CC(=O)N[C@H](Cc1cc(I)c(OC(C)=O)c(I)c1)C(=O)[O-] ZINC000008617583 553102700 /nfs/dbraw/zinc/10/27/00/553102700.db2.gz GTMFTWZGTFWOSE-LLVKDONJSA-N -1 0 517.057 1.953 50 0 KDAARM NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000008637103 553105945 /nfs/dbraw/zinc/10/59/45/553105945.db2.gz FWESCGPXJNVWGW-KKUQBAQOSA-N -1 0 602.648 1.685 50 0 KDAARM NC(=O)CC[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000008637104 553106016 /nfs/dbraw/zinc/10/60/16/553106016.db2.gz FWESCGPXJNVWGW-JIMJEQGWSA-N -1 0 602.648 1.685 50 0 KDAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C ZINC000008686232 553115141 /nfs/dbraw/zinc/11/51/41/553115141.db2.gz ZYHXODGVYNPUDT-UHFFFAOYSA-N -1 0 512.548 1.190 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1 ZINC000008715731 553128637 /nfs/dbraw/zinc/12/86/37/553128637.db2.gz VGUUDSNUJASRMW-RBNDEXQUSA-N -1 0 510.878 1.726 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1 ZINC000008715732 553128640 /nfs/dbraw/zinc/12/86/40/553128640.db2.gz VGUUDSNUJASRMW-CFEGQOMGSA-N -1 0 510.878 1.726 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@H]2SC1 ZINC000008715743 553128816 /nfs/dbraw/zinc/12/88/16/553128816.db2.gz HNETYTVYQRECAI-FZKQIMNGSA-N -1 0 504.899 1.653 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@@H]2SC1 ZINC000008715745 553128821 /nfs/dbraw/zinc/12/88/21/553128821.db2.gz HNETYTVYQRECAI-ACJLOTCBSA-N -1 0 504.899 1.653 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@H]2SC1 ZINC000008715746 553128800 /nfs/dbraw/zinc/12/88/00/553128800.db2.gz HNETYTVYQRECAI-SCLBCKFNSA-N -1 0 504.899 1.653 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@@H]2SC1 ZINC000008715747 553128818 /nfs/dbraw/zinc/12/88/18/553128818.db2.gz HNETYTVYQRECAI-UGSOOPFHSA-N -1 0 504.899 1.653 50 0 KDAARM CCOc1cccc(C(=O)NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC2)c1 ZINC000008769455 553140542 /nfs/dbraw/zinc/14/05/42/553140542.db2.gz XOCZXXHSSQZFPQ-UHFFFAOYSA-N -1 0 510.576 1.745 50 0 KDAARM C[C@@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008789986 553146189 /nfs/dbraw/zinc/14/61/89/553146189.db2.gz SHIPLYKYXGTSKL-YZGWKJHDSA-N -1 0 503.596 1.897 50 0 biogenic KDAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCCCCCC(=O)[O-])c(=O)oc2c1C ZINC000008790044 553146162 /nfs/dbraw/zinc/14/61/62/553146162.db2.gz SENAFTSEGCAQAW-IBGZPJMESA-N -1 0 532.594 1.655 50 0 biogenic KDAARM C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000008790442 553146581 /nfs/dbraw/zinc/14/65/81/553146581.db2.gz ARJXXRPAGDKJHF-WMZOPIPTSA-N -1 0 504.584 1.295 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008790976 553146817 /nfs/dbraw/zinc/14/68/17/553146817.db2.gz BOWCLTOSMALEFJ-YSSFQJQWSA-N -1 0 512.588 1.301 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000008791495 553147064 /nfs/dbraw/zinc/14/70/64/553147064.db2.gz PINOSKUWZDNSAQ-ICSRJNTNSA-N -1 0 518.611 1.541 50 0 biogenic KDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000008791528 553147008 /nfs/dbraw/zinc/14/70/08/553147008.db2.gz NIXFVGYUFBCBRI-PMACEKPBSA-N -1 0 530.622 1.781 50 0 biogenic KDAARM C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008791556 553147298 /nfs/dbraw/zinc/14/72/98/553147298.db2.gz WNXSMSHXVZMJEO-UHOSZYNNSA-N -1 0 521.636 1.807 50 0 biogenic KDAARM CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000008791567 553147292 /nfs/dbraw/zinc/14/72/92/553147292.db2.gz PINOSKUWZDNSAQ-UYAOXDASSA-N -1 0 518.611 1.541 50 0 biogenic KDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000008791607 553147259 /nfs/dbraw/zinc/14/72/59/553147259.db2.gz SPBXPULOXXTYEM-MOPGFXCFSA-N -1 0 516.595 1.391 50 0 biogenic KDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000008791747 553147261 /nfs/dbraw/zinc/14/72/61/553147261.db2.gz SPBXPULOXXTYEM-OALUTQOASA-N -1 0 516.595 1.391 50 0 biogenic KDAARM C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008791813 553147241 /nfs/dbraw/zinc/14/72/41/553147241.db2.gz SXCIYEAPHOHMEG-IHPCNDPISA-N -1 0 503.596 1.897 50 0 biogenic KDAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000008876349 553175108 /nfs/dbraw/zinc/17/51/08/553175108.db2.gz ARWAPRUODJTGAG-ZWKOTPCHSA-N -1 0 514.535 1.611 50 0 biogenic KDAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000008876351 553175362 /nfs/dbraw/zinc/17/53/62/553175362.db2.gz ARWAPRUODJTGAG-QZTJIDSGSA-N -1 0 514.535 1.611 50 0 biogenic KDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000008918035 553187373 /nfs/dbraw/zinc/18/73/73/553187373.db2.gz ROBPZEORFCNERM-AVRDEDQJSA-N -1 0 501.605 1.713 50 0 biogenic KDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC1 ZINC000008918036 553187310 /nfs/dbraw/zinc/18/73/10/553187310.db2.gz XWAQICCXHSLJBL-OALUTQOASA-N -1 0 504.584 1.196 50 0 biogenic KDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N(C)CC(=O)[O-])CC2)cc1 ZINC000008918135 553187613 /nfs/dbraw/zinc/18/76/13/553187613.db2.gz JEHSXIGHOHQCKG-QFIPXVFZSA-N -1 0 501.605 1.666 50 0 biogenic KDAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000008918243 553187804 /nfs/dbraw/zinc/18/78/04/553187804.db2.gz XWLUXOXVBZWLST-VQTJNVASSA-N -1 0 511.666 1.709 50 0 biogenic KDAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000008918244 553187847 /nfs/dbraw/zinc/18/78/47/553187847.db2.gz XWLUXOXVBZWLST-PMACEKPBSA-N -1 0 511.666 1.709 50 0 biogenic KDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CSC)C(=O)[O-])CC1 ZINC000008918395 553187986 /nfs/dbraw/zinc/18/79/86/553187986.db2.gz JJAZQUDNSMPXRW-VDGAXYAQSA-N -1 0 513.682 1.859 50 0 biogenic KDAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])CC2)cc1 ZINC000008918489 553188318 /nfs/dbraw/zinc/18/83/18/553188318.db2.gz FZRRYCKEUZMCIX-JTSKRJEESA-N -1 0 517.604 1.418 50 0 biogenic KDAARM COc1ccccc1OCc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@H]23)o1 ZINC000008927990 553192366 /nfs/dbraw/zinc/19/23/66/553192366.db2.gz UDGMJBJYYCCPGT-XMSQKQJNSA-N -1 0 502.501 1.783 50 0 KDAARM COc1ccccc1OCc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]23)o1 ZINC000008927991 553192399 /nfs/dbraw/zinc/19/23/99/553192399.db2.gz UDGMJBJYYCCPGT-GCJKJVERSA-N -1 0 502.501 1.783 50 0 KDAARM COc1ccccc1OCc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@H]23)o1 ZINC000008927993 553192364 /nfs/dbraw/zinc/19/23/64/553192364.db2.gz UDGMJBJYYCCPGT-PGRDOPGGSA-N -1 0 502.501 1.783 50 0 KDAARM COc1ccccc1OCc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]23)o1 ZINC000008927995 553192407 /nfs/dbraw/zinc/19/24/07/553192407.db2.gz UDGMJBJYYCCPGT-AVRDEDQJSA-N -1 0 502.501 1.783 50 0 KDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000008994758 553196978 /nfs/dbraw/zinc/19/69/78/553196978.db2.gz DJEGDWJOWDTDTF-OBFZPWGMSA-N -1 0 506.559 1.425 50 0 KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC(=O)[O-] ZINC000009011722 553199619 /nfs/dbraw/zinc/19/96/19/553199619.db2.gz MFXYTMCNJLAKPI-UNMCSNQZSA-N -1 0 505.531 1.709 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000009012114 553199868 /nfs/dbraw/zinc/19/98/68/553199868.db2.gz BOWCLTOSMALEFJ-XPGWFJOJSA-N -1 0 512.588 1.713 50 0 biogenic KDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009013913 553200128 /nfs/dbraw/zinc/20/01/28/553200128.db2.gz DVDBNSIIXPMOLO-FKBYEOEOSA-N -1 0 504.543 1.953 50 0 biogenic KDAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCC(C(=O)NCC(=O)NCC(=O)[O-])CC3)c(=O)oc1c2C ZINC000009046198 553203805 /nfs/dbraw/zinc/20/38/05/553203805.db2.gz MLAXAEFANGKTGP-UHFFFAOYSA-N -1 0 525.558 1.953 50 0 KDAARM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000009129324 553213219 /nfs/dbraw/zinc/21/32/19/553213219.db2.gz HAKFHVIRCMDPJP-MOPGFXCFSA-N -1 0 516.595 1.391 50 0 KDAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000009159911 553215559 /nfs/dbraw/zinc/21/55/59/553215559.db2.gz NUERHNCURYGMOC-AVRDEDQJSA-N -1 0 501.605 1.713 50 0 KDAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000009171302 553215888 /nfs/dbraw/zinc/21/58/88/553215888.db2.gz WHWBYXWGMLZPCA-IPJJNNNSSA-N -1 0 509.563 1.626 50 0 biogenic KDAARM CSCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)[O-] ZINC000009209804 553220527 /nfs/dbraw/zinc/22/05/27/553220527.db2.gz KTCGAIUTVCWFPT-PMACEKPBSA-N -1 0 513.682 1.859 50 0 KDAARM Cc1cccc(OC[C@@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009291039 553234709 /nfs/dbraw/zinc/23/47/09/553234709.db2.gz UPNPBXQPNPSPDZ-AZUAARDMSA-N -1 0 507.547 1.290 50 0 KDAARM Cc1cccc(OC[C@@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009292465 553235083 /nfs/dbraw/zinc/23/50/83/553235083.db2.gz UPNPBXQPNPSPDZ-ICSRJNTNSA-N -1 0 507.547 1.290 50 0 KDAARM Cc1ccc(OC[C@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009292797 553235124 /nfs/dbraw/zinc/23/51/24/553235124.db2.gz QLFOJUMFXKRGIQ-QUCCMNQESA-N -1 0 507.547 1.290 50 0 KDAARM Cc1ccc(OC[C@@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009292798 553235229 /nfs/dbraw/zinc/23/52/29/553235229.db2.gz QLFOJUMFXKRGIQ-ICSRJNTNSA-N -1 0 507.547 1.290 50 0 KDAARM Cc1ccc(OC[C@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009292799 553235249 /nfs/dbraw/zinc/23/52/49/553235249.db2.gz QLFOJUMFXKRGIQ-UYAOXDASSA-N -1 0 507.547 1.290 50 0 KDAARM Cc1ccc(OC[C@@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009292801 553235259 /nfs/dbraw/zinc/23/52/59/553235259.db2.gz QLFOJUMFXKRGIQ-AZUAARDMSA-N -1 0 507.547 1.290 50 0 KDAARM O=C([O-])C1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000009329424 553242425 /nfs/dbraw/zinc/24/24/25/553242425.db2.gz QMFDCLABDOMQOL-GOTSBHOMSA-N -1 0 518.570 1.788 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009334843 553243326 /nfs/dbraw/zinc/24/33/26/553243326.db2.gz TTXZTBRDTQEXGN-YSSFQJQWSA-N -1 0 512.588 1.301 50 0 biogenic KDAARM CCOc1ccccc1C(=O)NC(=S)N1CCN(c2ncc3c(=O)c(C(=O)[O-])cn(CC)c3n2)CC1 ZINC000009354445 553246001 /nfs/dbraw/zinc/24/60/01/553246001.db2.gz VWMHIQMNDPIBLI-UHFFFAOYSA-N -1 0 510.576 1.745 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)cn4)[C@H]3SC2)s1 ZINC000009355859 553246600 /nfs/dbraw/zinc/24/66/00/553246600.db2.gz LEANVNGAASSOPT-QRPAFPMESA-N -1 0 501.015 1.788 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)cn4)[C@@H]3SC2)s1 ZINC000009355860 553246593 /nfs/dbraw/zinc/24/65/93/553246593.db2.gz LEANVNGAASSOPT-NVNFVWPKSA-N -1 0 501.015 1.788 50 0 KDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000009430331 553261014 /nfs/dbraw/zinc/26/10/14/553261014.db2.gz DJEGDWJOWDTDTF-AJTFCVKESA-N -1 0 506.559 1.425 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@H]3SC2)s1 ZINC000009431494 553261214 /nfs/dbraw/zinc/26/12/14/553261214.db2.gz ZSZSAKWJVDKMID-MLGOLLRUSA-N -1 0 516.577 1.820 50 0 KDAARM NS(=O)(=O)c1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000009434661 553263966 /nfs/dbraw/zinc/26/39/66/553263966.db2.gz GBVZNZKBLCPDSC-GFOMBABLSA-N -1 0 505.936 1.331 50 0 KDAARM CCOC(=O)N1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[n-]2)CC1 ZINC000009599490 553285660 /nfs/dbraw/zinc/28/56/60/553285660.db2.gz QYQVVEQMPXCTCV-UHFFFAOYSA-N -1 0 520.568 1.014 50 0 KDAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NCc3ccc4c(c3)OCO4)[n-]c2=O)cc1OC ZINC000009669172 553293676 /nfs/dbraw/zinc/29/36/76/553293676.db2.gz LRLDQKBWTCVCOO-UHFFFAOYSA-N -1 0 513.532 1.759 50 0 KDAARM CCOc1ccc([C@@H]2NC(=O)N[C@@H](c3ccc(OCC)c(OC)c3)C23C(=O)[N-]C(=O)NC3=O)cc1OC ZINC000009941893 553319514 /nfs/dbraw/zinc/31/95/14/553319514.db2.gz MECXEGMYNSCCPC-PMACEKPBSA-N -1 0 512.519 1.949 50 0 KDAARM CCOc1ccc([C@H]2NC(=O)N[C@H](c3ccc(OCC)c(OC)c3)C23C(=O)[N-]C(=O)NC3=O)cc1OC ZINC000009941897 553319490 /nfs/dbraw/zinc/31/94/90/553319490.db2.gz MECXEGMYNSCCPC-WOJBJXKFSA-N -1 0 512.519 1.949 50 0 KDAARM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@H]2SC1 ZINC000009944315 553319851 /nfs/dbraw/zinc/31/98/51/553319851.db2.gz SVUMDTFCRAIFLI-IAQYHMDHSA-N -1 0 502.912 1.286 50 0 KDAARM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@@H]2SC1 ZINC000009944316 553319859 /nfs/dbraw/zinc/31/98/59/553319859.db2.gz SVUMDTFCRAIFLI-ABAIWWIYSA-N -1 0 502.912 1.286 50 0 KDAARM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@H]2SC1 ZINC000009944317 553319837 /nfs/dbraw/zinc/31/98/37/553319837.db2.gz SVUMDTFCRAIFLI-XHDPSFHLSA-N -1 0 502.912 1.286 50 0 KDAARM Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@@H]2SC1 ZINC000009944318 553319862 /nfs/dbraw/zinc/31/98/62/553319862.db2.gz SVUMDTFCRAIFLI-NHYWBVRUSA-N -1 0 502.912 1.286 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)Cn4cc(Cl)cn4)[C@H]3SC2)s1 ZINC000010127196 553330189 /nfs/dbraw/zinc/33/01/89/553330189.db2.gz PCITUFYFGPAUGA-YYDSMBMDSA-N -1 0 515.042 1.863 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)Cn4cc(Cl)cn4)[C@@H]3SC2)s1 ZINC000010127198 553330179 /nfs/dbraw/zinc/33/01/79/553330179.db2.gz PCITUFYFGPAUGA-WLTZMBQTSA-N -1 0 515.042 1.863 50 0 KDAARM Cn1c2nc(N[C@@H](Cc3ccccc3)C(=O)[O-])n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000010274130 553331249 /nfs/dbraw/zinc/33/12/49/553331249.db2.gz FVRFBKRLIYDGTE-WMZOPIPTSA-N -1 0 513.938 1.624 50 0 KDAARM Cn1c2nc(N[C@H](Cc3ccccc3)C(=O)[O-])n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000010274132 553331213 /nfs/dbraw/zinc/33/12/13/553331213.db2.gz FVRFBKRLIYDGTE-FUHWJXTLSA-N -1 0 513.938 1.624 50 0 KDAARM Cn1c2nc(N[C@@H](Cc3ccccc3)C(=O)[O-])n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000010274133 553331200 /nfs/dbraw/zinc/33/12/00/553331200.db2.gz FVRFBKRLIYDGTE-AEFFLSMTSA-N -1 0 513.938 1.624 50 0 KDAARM Cn1c2nc(N[C@H](Cc3ccccc3)C(=O)[O-])n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000010274134 553331262 /nfs/dbraw/zinc/33/12/62/553331262.db2.gz FVRFBKRLIYDGTE-SJLPKXTDSA-N -1 0 513.938 1.624 50 0 KDAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](CCCCNC(N)=O)C(=O)NCC(=O)[O-])c(C)c3cc2c1C ZINC000011865605 553346643 /nfs/dbraw/zinc/34/66/43/553346643.db2.gz QSGBURYIUZANRN-LJQANCHMSA-N -1 0 528.562 1.921 50 0 KDAARM CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000012293887 553356730 /nfs/dbraw/zinc/35/67/30/553356730.db2.gz IDZJNGYMSTVVFT-UHFFFAOYSA-N -1 0 511.582 1.841 50 0 KDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)n1 ZINC000012360918 553359443 /nfs/dbraw/zinc/35/94/43/553359443.db2.gz YJFXWDRYGIOGBL-UHFFFAOYSA-N -1 0 501.546 1.759 50 0 KDAARM CSc1nc(N)nc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2)n1 ZINC000012368144 553359815 /nfs/dbraw/zinc/35/98/15/553359815.db2.gz VVCXJFDNGXCKOO-CZUORRHYSA-N -1 0 504.619 1.249 50 0 KDAARM CSc1nc(N)nc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@@H]3SC2)n1 ZINC000012368145 553359836 /nfs/dbraw/zinc/35/98/36/553359836.db2.gz VVCXJFDNGXCKOO-CJNGLKHVSA-N -1 0 504.619 1.249 50 0 KDAARM CSc1nc(N)nc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cc4ccccc4)[C@H]3SC2)n1 ZINC000012368146 553359852 /nfs/dbraw/zinc/35/98/52/553359852.db2.gz VVCXJFDNGXCKOO-XJKSGUPXSA-N -1 0 504.619 1.249 50 0 KDAARM CSc1nc(N)nc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cc4ccccc4)[C@@H]3SC2)n1 ZINC000012368147 553359822 /nfs/dbraw/zinc/35/98/22/553359822.db2.gz VVCXJFDNGXCKOO-BBRMVZONSA-N -1 0 504.619 1.249 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)Cn4cc(Cl)cn4)[C@@H]3SC2)s1 ZINC000012406546 553363152 /nfs/dbraw/zinc/36/31/52/553363152.db2.gz PCITUFYFGPAUGA-CVKUXFQVSA-N -1 0 515.042 1.863 50 0 KDAARM O=C(COC(=O)CCc1nnc(SCC(=O)NCCc2ccccc2)[n-]c1=O)NCCc1ccccc1 ZINC000012531188 553386172 /nfs/dbraw/zinc/38/61/72/553386172.db2.gz CHANATQZFSCEGQ-UHFFFAOYSA-N -1 0 523.615 1.451 50 0 KDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012562639 553394924 /nfs/dbraw/zinc/39/49/24/553394924.db2.gz SMRCDRUPHYVSNL-UHFFFAOYSA-N -1 0 503.562 1.551 50 0 KDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cncn2)cc1 ZINC000012599850 553401016 /nfs/dbraw/zinc/40/10/16/553401016.db2.gz ZZNHLQZQZANMPO-UHFFFAOYSA-N -1 0 506.566 1.107 50 0 KDAARM COc1ccc(S(=O)(=O)N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)nn3)CC2)cc1OC ZINC000012637548 553407303 /nfs/dbraw/zinc/40/73/03/553407303.db2.gz RXPIVTIAXSRUOU-UHFFFAOYSA-N -1 0 519.605 1.806 50 0 KDAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000012863110 553423126 /nfs/dbraw/zinc/42/31/26/553423126.db2.gz JWKYKNSNJGGLQI-PMACEKPBSA-N -1 0 513.682 1.859 50 0 biogenic KDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CSC)C(=O)[O-])CC1 ZINC000012866198 553423450 /nfs/dbraw/zinc/42/34/50/553423450.db2.gz JJAZQUDNSMPXRW-UXPWSPDFSA-N -1 0 513.682 1.859 50 0 biogenic KDAARM C[C@@H](O)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012866537 553423478 /nfs/dbraw/zinc/42/34/78/553423478.db2.gz MEDFAQGSENSRJO-NQERJWCQSA-N -1 0 516.595 1.793 50 0 biogenic KDAARM C[C@H](O)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012866548 553423458 /nfs/dbraw/zinc/42/34/58/553423458.db2.gz MEDFAQGSENSRJO-JHVJFLLYSA-N -1 0 516.595 1.793 50 0 biogenic KDAARM C[C@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012881146 553425466 /nfs/dbraw/zinc/42/54/66/553425466.db2.gz SHIPLYKYXGTSKL-YSIASYRMSA-N -1 0 503.596 1.897 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000012881297 553425431 /nfs/dbraw/zinc/42/54/31/553425431.db2.gz BLVNOPANDZMQEB-GOTSBHOMSA-N -1 0 520.586 1.938 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000012882544 553425682 /nfs/dbraw/zinc/42/56/82/553425682.db2.gz STMKRBLWVDQMGF-FKBYEOEOSA-N -1 0 508.575 1.840 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000012883066 553425791 /nfs/dbraw/zinc/42/57/91/553425791.db2.gz SYRLGRSPYCBUON-FSSWDIPSSA-N -1 0 506.559 1.690 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000012884087 553426018 /nfs/dbraw/zinc/42/60/18/553426018.db2.gz UKGGRHCSQHWUHP-FKBYEOEOSA-N -1 0 506.559 1.690 50 0 biogenic KDAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CCCCNC(N)=O)C(=O)NCC(=O)[O-])c(C)c3cc2c1C ZINC000012884432 553425989 /nfs/dbraw/zinc/42/59/89/553425989.db2.gz QSGBURYIUZANRN-IBGZPJMESA-N -1 0 528.562 1.921 50 0 biogenic KDAARM CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000012884954 553426013 /nfs/dbraw/zinc/42/60/13/553426013.db2.gz STMKRBLWVDQMGF-FDFHNCONSA-N -1 0 508.575 1.840 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000012884974 553426006 /nfs/dbraw/zinc/42/60/06/553426006.db2.gz SYRLGRSPYCBUON-FKBYEOEOSA-N -1 0 506.559 1.690 50 0 biogenic KDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000012886227 553426119 /nfs/dbraw/zinc/42/61/19/553426119.db2.gz DVDBNSIIXPMOLO-BDTNDASRSA-N -1 0 504.543 1.540 50 0 biogenic KDAARM CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000012886654 553426205 /nfs/dbraw/zinc/42/62/05/553426205.db2.gz UKGGRHCSQHWUHP-FDFHNCONSA-N -1 0 506.559 1.690 50 0 biogenic KDAARM C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012887400 553426218 /nfs/dbraw/zinc/42/62/18/553426218.db2.gz SHIPLYKYXGTSKL-HOJAQTOUSA-N -1 0 503.596 1.897 50 0 biogenic KDAARM C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012887410 553426236 /nfs/dbraw/zinc/42/62/36/553426236.db2.gz SHIPLYKYXGTSKL-IHPCNDPISA-N -1 0 503.596 1.897 50 0 biogenic KDAARM C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012887427 553426187 /nfs/dbraw/zinc/42/61/87/553426187.db2.gz WNXSMSHXVZMJEO-QRQLOZEOSA-N -1 0 521.636 1.807 50 0 biogenic KDAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000012887587 553426325 /nfs/dbraw/zinc/42/63/25/553426325.db2.gz WHOAUWXAUMPDLA-LMNJBCLMSA-N -1 0 532.638 1.931 50 0 biogenic KDAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000012887594 553426343 /nfs/dbraw/zinc/42/63/43/553426343.db2.gz WHOAUWXAUMPDLA-CUWPLCDZSA-N -1 0 532.638 1.931 50 0 biogenic KDAARM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012888468 553426345 /nfs/dbraw/zinc/42/63/45/553426345.db2.gz SXCIYEAPHOHMEG-HOJAQTOUSA-N -1 0 503.596 1.897 50 0 biogenic KDAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)NCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000012889198 553426542 /nfs/dbraw/zinc/42/65/42/553426542.db2.gz RVUPNSRNSZZJIY-GOSISDBHSA-N -1 0 514.535 1.449 50 0 biogenic KDAARM CN(C(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013140157 553454118 /nfs/dbraw/zinc/45/41/18/553454118.db2.gz MOEMXNKAEZTARL-KRWDZBQOSA-N -1 0 501.586 1.881 50 0 KDAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1F ZINC000013150495 553456711 /nfs/dbraw/zinc/45/67/11/553456711.db2.gz CNUYQOBMCVUFKP-CYBMUJFWSA-N -1 0 518.523 1.343 50 0 KDAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1F ZINC000013150497 553456747 /nfs/dbraw/zinc/45/67/47/553456747.db2.gz CNUYQOBMCVUFKP-ZDUSSCGKSA-N -1 0 518.523 1.343 50 0 KDAARM O=C([O-])c1nn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(=O)c2ccccc21 ZINC000013523036 553468411 /nfs/dbraw/zinc/46/84/11/553468411.db2.gz AQJDSQIBUYPJOI-UHFFFAOYSA-N -1 0 506.924 1.408 50 0 KDAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000013576583 553475059 /nfs/dbraw/zinc/47/50/59/553475059.db2.gz ZLJVGMIKODMOQL-PMACEKPBSA-N -1 0 532.638 1.931 50 0 KDAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000013591304 553477012 /nfs/dbraw/zinc/47/70/12/553477012.db2.gz ZLJVGMIKODMOQL-VQTJNVASSA-N -1 0 532.638 1.931 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1 ZINC000013640310 553479082 /nfs/dbraw/zinc/47/90/82/553479082.db2.gz VGUUDSNUJASRMW-FGJULOEWSA-N -1 0 510.878 1.726 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1 ZINC000013640314 553479069 /nfs/dbraw/zinc/47/90/69/553479069.db2.gz VGUUDSNUJASRMW-GJCVFUNYSA-N -1 0 510.878 1.726 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)[C@@H]2SC1 ZINC000013640322 553479087 /nfs/dbraw/zinc/47/90/87/553479087.db2.gz IUTVAJOSFKUTOP-DBWXIBMXSA-N -1 0 515.386 1.200 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@@H]2SC1 ZINC000013640324 553479081 /nfs/dbraw/zinc/47/90/81/553479081.db2.gz IUTVAJOSFKUTOP-GJCBIIGPSA-N -1 0 515.386 1.200 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Cl)cn4)[C@@H]3SC2)s1 ZINC000013847973 553493243 /nfs/dbraw/zinc/49/32/43/553493243.db2.gz LEANVNGAASSOPT-AKNJWJSBSA-N -1 0 501.015 1.788 50 0 KDAARM COc1ccc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000014359737 553513620 /nfs/dbraw/zinc/51/36/20/553513620.db2.gz GUDYXACNWNVIEA-UHFFFAOYSA-N -1 0 500.533 1.917 50 0 KDAARM O=C([O-])CNC(=O)CN(CNC(=O)C1C2CC3CC(C2)CC1C3)CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000014919942 553521227 /nfs/dbraw/zinc/52/12/27/553521227.db2.gz RHQQYKGDOAALHA-UHFFFAOYSA-N -1 0 514.667 1.781 50 0 KDAARM NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(-c4ccc(F)cc4)c[n-]n3c(=O)n2)cc1 ZINC000015107458 553528016 /nfs/dbraw/zinc/52/80/16/553528016.db2.gz XHIHCUMJOJXHNO-UHFFFAOYSA-N -1 0 502.553 1.322 50 0 KDAARM O=C([O-])[C@H](CO)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000015721472 553534698 /nfs/dbraw/zinc/53/46/98/553534698.db2.gz GWTZMIJUPBOPKG-SFTDATJTSA-N -1 0 501.536 1.940 50 0 KDAARM COc1ccc(OCc2ccc(C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]34)o2)cc1 ZINC000015947430 553545334 /nfs/dbraw/zinc/54/53/34/553545334.db2.gz JSTZNMSVBVDXIM-AVRDEDQJSA-N -1 0 502.501 1.783 50 0 KDAARM COc1ccc(OCc2ccc(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]34)o2)cc1 ZINC000015947432 553545401 /nfs/dbraw/zinc/54/54/01/553545401.db2.gz JSTZNMSVBVDXIM-GCJKJVERSA-N -1 0 502.501 1.783 50 0 KDAARM COc1ccc(OCc2ccc(C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(COC(C)=O)CS[C@H]34)o2)cc1 ZINC000015947434 553545364 /nfs/dbraw/zinc/54/53/64/553545364.db2.gz JSTZNMSVBVDXIM-PGRDOPGGSA-N -1 0 502.501 1.783 50 0 KDAARM COc1ccc(OCc2ccc(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(COC(C)=O)CS[C@H]34)o2)cc1 ZINC000015947436 553545308 /nfs/dbraw/zinc/54/53/08/553545308.db2.gz JSTZNMSVBVDXIM-XMSQKQJNSA-N -1 0 502.501 1.783 50 0 KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000015968150 553547192 /nfs/dbraw/zinc/54/71/92/553547192.db2.gz LKTUJUDNQJTEHZ-RXYZOABWSA-N -1 0 519.558 1.685 50 0 biogenic KDAARM CC(=O)NCSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000015969852 553547517 /nfs/dbraw/zinc/54/75/17/553547517.db2.gz MVFOPTCIOACAGO-SFTDATJTSA-N -1 0 523.571 1.351 50 0 biogenic KDAARM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000015997097 553549453 /nfs/dbraw/zinc/54/94/53/553549453.db2.gz NUERHNCURYGMOC-GCJKJVERSA-N -1 0 501.605 1.713 50 0 KDAARM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000015997099 553549467 /nfs/dbraw/zinc/54/94/67/553549467.db2.gz NUERHNCURYGMOC-XMSQKQJNSA-N -1 0 501.605 1.713 50 0 KDAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000015997102 553549491 /nfs/dbraw/zinc/54/94/91/553549491.db2.gz NUERHNCURYGMOC-PGRDOPGGSA-N -1 0 501.605 1.713 50 0 KDAARM CSCC[C@@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)[O-] ZINC000015999055 553549688 /nfs/dbraw/zinc/54/96/88/553549688.db2.gz KTCGAIUTVCWFPT-UXHICEINSA-N -1 0 513.682 1.859 50 0 KDAARM CSCC[C@@H](NC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)[O-] ZINC000015999056 553549621 /nfs/dbraw/zinc/54/96/21/553549621.db2.gz KTCGAIUTVCWFPT-WOJBJXKFSA-N -1 0 513.682 1.859 50 0 KDAARM CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)[O-] ZINC000015999057 553549698 /nfs/dbraw/zinc/54/96/98/553549698.db2.gz KTCGAIUTVCWFPT-VQTJNVASSA-N -1 0 513.682 1.859 50 0 KDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000016032976 553551597 /nfs/dbraw/zinc/55/15/97/553551597.db2.gz SMEKSEYFODSNDF-TYWJRMFUSA-N -1 0 518.570 1.729 50 0 biogenic KDAARM COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C(=O)OC)c1C ZINC000016043682 553553231 /nfs/dbraw/zinc/55/32/31/553553231.db2.gz AWPKFKUOSFRPRX-ZDUSSCGKSA-N -1 0 512.562 1.329 50 0 KDAARM COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C(=O)OC)c1C ZINC000016043683 553553286 /nfs/dbraw/zinc/55/32/86/553553286.db2.gz AWPKFKUOSFRPRX-CYBMUJFWSA-N -1 0 512.562 1.329 50 0 KDAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 ZINC000016383620 553561748 /nfs/dbraw/zinc/56/17/48/553561748.db2.gz LTYJDNVKJYDVFU-UHFFFAOYSA-N -1 0 504.598 1.791 50 0 KDAARM Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl ZINC000017376785 553595366 /nfs/dbraw/zinc/59/53/66/553595366.db2.gz WLZLBTNRCJCMBC-UHFFFAOYSA-N -1 0 532.040 1.951 50 0 KDAARM NS(=O)(=O)c1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000018106633 553604499 /nfs/dbraw/zinc/60/44/99/553604499.db2.gz GBVZNZKBLCPDSC-BLGFXRMMSA-N -1 0 505.936 1.331 50 0 KDAARM NS(=O)(=O)c1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000018276546 553611891 /nfs/dbraw/zinc/61/18/91/553611891.db2.gz WILUMFIWGGASCW-BBVFFXRHSA-N -1 0 505.936 1.331 50 0 KDAARM O=C(Cc1sc(N[C@H](c2ccc(O)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccc(Cl)cc1 ZINC000020135034 553593256 /nfs/dbraw/zinc/59/32/56/553593256.db2.gz PDWPOYCZGFERKM-WMLDXEAASA-N -1 0 515.935 1.834 50 0 KDAARM O=C(Cc1sc(N[C@@H](c2ccc(O)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccc(Cl)cc1 ZINC000020135039 553593228 /nfs/dbraw/zinc/59/32/28/553593228.db2.gz PDWPOYCZGFERKM-YOEHRIQHSA-N -1 0 515.935 1.834 50 0 KDAARM O=C(Cc1sc(N[C@@H](c2ccccc2F)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccc(F)cc1 ZINC000020135351 553593530 /nfs/dbraw/zinc/59/35/30/553593530.db2.gz WMWJSMYPUADHBY-YOEHRIQHSA-N -1 0 501.471 1.753 50 0 KDAARM O=C(Cc1sc(N[C@H](c2ccccc2F)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccc(F)cc1 ZINC000020135354 553593470 /nfs/dbraw/zinc/59/34/70/553593470.db2.gz WMWJSMYPUADHBY-WMLDXEAASA-N -1 0 501.471 1.753 50 0 KDAARM O=C(Cc1sc(N[C@@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccc(F)cc1 ZINC000020559522 553671974 /nfs/dbraw/zinc/67/19/74/553671974.db2.gz BQNZNSVUOGTOKI-YOEHRIQHSA-N -1 0 501.471 1.753 50 0 KDAARM O=C(Cc1sc(N[C@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccc(F)cc1 ZINC000020559524 553672030 /nfs/dbraw/zinc/67/20/30/553672030.db2.gz BQNZNSVUOGTOKI-WMLDXEAASA-N -1 0 501.471 1.753 50 0 KDAARM O=C(Cc1sc(N[C@@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccccc1F ZINC000020559538 553671927 /nfs/dbraw/zinc/67/19/27/553671927.db2.gz REYQRFPKPYKDHO-YOEHRIQHSA-N -1 0 501.471 1.753 50 0 KDAARM O=C(Cc1sc(N[C@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1ccccc1F ZINC000020559541 553671991 /nfs/dbraw/zinc/67/19/91/553671991.db2.gz REYQRFPKPYKDHO-WMLDXEAASA-N -1 0 501.471 1.753 50 0 KDAARM COc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1 ZINC000020559586 553671996 /nfs/dbraw/zinc/67/19/96/553671996.db2.gz FUUFKONCBYNFQM-YJBOKZPZSA-N -1 0 511.516 1.189 50 0 KDAARM COc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1 ZINC000020559590 553671960 /nfs/dbraw/zinc/67/19/60/553671960.db2.gz FUUFKONCBYNFQM-MAUKXSAKSA-N -1 0 511.516 1.189 50 0 KDAARM O=C(Cc1sc(N[C@H](c2ccc(O)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1cccc(Cl)c1 ZINC000020559608 553671947 /nfs/dbraw/zinc/67/19/47/553671947.db2.gz SOCMGNIAIKEUNK-WMLDXEAASA-N -1 0 515.935 1.834 50 0 KDAARM O=C(Cc1sc(N[C@@H](c2ccc(O)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1O)Nc1cccc(Cl)c1 ZINC000020559610 553672016 /nfs/dbraw/zinc/67/20/16/553672016.db2.gz SOCMGNIAIKEUNK-YOEHRIQHSA-N -1 0 515.935 1.834 50 0 KDAARM Cc1cccc(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)c1C ZINC000020559612 553671936 /nfs/dbraw/zinc/67/19/36/553671936.db2.gz CWQBVOXZXGLOKC-LPHOPBHVSA-N -1 0 509.544 1.797 50 0 KDAARM Cc1cccc(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)c1C ZINC000020559617 553672297 /nfs/dbraw/zinc/67/22/97/553672297.db2.gz CWQBVOXZXGLOKC-QFBILLFUSA-N -1 0 509.544 1.797 50 0 KDAARM Cc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)c(C)c1 ZINC000020559621 553672260 /nfs/dbraw/zinc/67/22/60/553672260.db2.gz DCVMSLXBUBTHSI-LPHOPBHVSA-N -1 0 509.544 1.797 50 0 KDAARM Cc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)c(C)c1 ZINC000020559625 553672176 /nfs/dbraw/zinc/67/21/76/553672176.db2.gz DCVMSLXBUBTHSI-QFBILLFUSA-N -1 0 509.544 1.797 50 0 KDAARM Cc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1C ZINC000020559629 553672241 /nfs/dbraw/zinc/67/22/41/553672241.db2.gz NUHPTYORIJRQDB-LPHOPBHVSA-N -1 0 509.544 1.797 50 0 KDAARM Cc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2O)cc1C ZINC000020559633 553672195 /nfs/dbraw/zinc/67/21/95/553672195.db2.gz NUHPTYORIJRQDB-QFBILLFUSA-N -1 0 509.544 1.797 50 0 KDAARM COc1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(C)cc3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000020559665 553672165 /nfs/dbraw/zinc/67/21/65/553672165.db2.gz IEKASAPZQRENDD-APWZRJJASA-N -1 0 509.544 1.792 50 0 KDAARM COc1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(C)cc3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000020559669 553672268 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553673644 /nfs/dbraw/zinc/67/36/44/553673644.db2.gz VDGKVLDNGQHSBS-UHFFFAOYSA-N -1 0 504.512 1.814 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Cl)[C@H]3SC2)s1 ZINC000020602284 553677550 /nfs/dbraw/zinc/67/75/50/553677550.db2.gz AOVCYMCWDYMJHB-XHDPSFHLSA-N -1 0 501.015 1.686 50 0 KDAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Cl)[C@@H]3SC2)s1 ZINC000020602285 553677637 /nfs/dbraw/zinc/67/76/37/553677637.db2.gz AOVCYMCWDYMJHB-ABAIWWIYSA-N -1 0 501.015 1.686 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)[C@@H]2SC1 ZINC000022831405 553755250 /nfs/dbraw/zinc/75/52/50/553755250.db2.gz YCEPAMYYBXSCCK-XOBRGWDASA-N -1 0 507.475 1.460 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)[C@H]2SC1 ZINC000022831410 553755248 /nfs/dbraw/zinc/75/52/48/553755248.db2.gz YCEPAMYYBXSCCK-VBKZILBWSA-N -1 0 507.475 1.460 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)[C@@H]2SC1 ZINC000022831415 553755169 /nfs/dbraw/zinc/75/51/69/553755169.db2.gz YCEPAMYYBXSCCK-VLIAUNLRSA-N -1 0 507.475 1.460 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)[C@H]2SC1 ZINC000022831420 553755216 /nfs/dbraw/zinc/75/52/16/553755216.db2.gz YCEPAMYYBXSCCK-JLTOFOAXSA-N -1 0 507.475 1.460 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1 ZINC000022835181 553756571 /nfs/dbraw/zinc/75/65/71/553756571.db2.gz QSVMTNDNEAHICU-LRDDRELGSA-N -1 0 510.878 1.556 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1 ZINC000022835185 553756519 /nfs/dbraw/zinc/75/65/19/553756519.db2.gz QSVMTNDNEAHICU-BLLLJJGKSA-N -1 0 510.878 1.556 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1 ZINC000022835189 553756540 /nfs/dbraw/zinc/75/65/40/553756540.db2.gz QSVMTNDNEAHICU-WBMJQRKESA-N -1 0 510.878 1.556 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1 ZINC000022835193 553756545 /nfs/dbraw/zinc/75/65/45/553756545.db2.gz QSVMTNDNEAHICU-MLGOLLRUSA-N -1 0 510.878 1.556 50 0 KDAARM O=C([O-])c1nn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(=O)c2ccccc21 ZINC000025393462 553807613 /nfs/dbraw/zinc/80/76/13/553807613.db2.gz KPJSPAREJPDWMQ-UHFFFAOYSA-N -1 0 506.924 1.408 50 0 KDAARM O=C([O-])[C@H](CO)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000025691911 553812474 /nfs/dbraw/zinc/81/24/74/553812474.db2.gz GWTZMIJUPBOPKG-RTWAWAEBSA-N -1 0 501.536 1.940 50 0 KDAARM CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O ZINC000026263996 553818103 /nfs/dbraw/zinc/81/81/03/553818103.db2.gz UMKHUVRCCMAOBN-CLVXWKCZSA-N -1 0 612.728 1.125 50 0 KDAARM O=C(NN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1 ZINC000029061329 553844310 /nfs/dbraw/zinc/84/43/10/553844310.db2.gz DMCJSIXXDXXWHD-UHFFFAOYSA-N -1 0 560.482 1.590 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(OC)c(OC)c4)CC3)nc21 ZINC000029747486 553847902 /nfs/dbraw/zinc/84/79/02/553847902.db2.gz KJXBSYQEYYLPDW-UHFFFAOYSA-N -1 0 526.575 1.364 50 0 KDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCCN1CCN(c3ccccc3F)CC1)c2=O ZINC000032959222 553881927 /nfs/dbraw/zinc/88/19/27/553881927.db2.gz FKWVHYMTOQNVOS-UHFFFAOYSA-N -1 0 513.595 1.939 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@@H]2SC1 ZINC000033356842 553944850 /nfs/dbraw/zinc/94/48/50/553944850.db2.gz KXYQZNHPBBGJLK-RTHLEPHNSA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@H]2SC1 ZINC000033356843 553944824 /nfs/dbraw/zinc/94/48/24/553944824.db2.gz KXYQZNHPBBGJLK-RMLUDKJBSA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@@H]2SC1 ZINC000033356845 553944844 /nfs/dbraw/zinc/94/48/44/553944844.db2.gz KXYQZNHPBBGJLK-CLAHSXSESA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@H]2SC1 ZINC000033356847 553945184 /nfs/dbraw/zinc/94/51/84/553945184.db2.gz KXYQZNHPBBGJLK-XLKFXECMSA-N -1 0 527.275 1.117 50 0 KDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC2)cc1 ZINC000034805301 554009194 /nfs/dbraw/zinc/00/91/94/554009194.db2.gz YXRGVCNUKFIEBH-LEOXJPRUSA-N -1 0 531.631 1.073 50 0 biogenic KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1 ZINC000035678172 554062875 /nfs/dbraw/zinc/06/28/75/554062875.db2.gz IUTVAJOSFKUTOP-SUGDGZHXSA-N -1 0 515.386 1.200 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1 ZINC000035678174 554062863 /nfs/dbraw/zinc/06/28/63/554062863.db2.gz IUTVAJOSFKUTOP-CCNVSQGKSA-N -1 0 515.386 1.200 50 0 KDAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000038139988 554262301 /nfs/dbraw/zinc/26/23/01/554262301.db2.gz ZDTDTQOXWAEZGP-FKBYEOEOSA-N -1 0 538.626 1.787 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000038139991 554262270 /nfs/dbraw/zinc/26/22/70/554262270.db2.gz ZDTDTQOXWAEZGP-BDTNDASRSA-N -1 0 538.626 1.787 50 0 biogenic KDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC2)cc1 ZINC000038144953 554266394 /nfs/dbraw/zinc/26/63/94/554266394.db2.gz YXRGVCNUKFIEBH-TZYHBYERSA-N -1 0 531.631 1.073 50 0 biogenic KDAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OCC(N)=O ZINC000039964273 554281650 /nfs/dbraw/zinc/28/16/50/554281650.db2.gz RSUVSFXNIIGZNP-UHFFFAOYSA-N -1 0 517.029 1.249 50 0 KDAARM C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-] ZINC000049942550 554327367 /nfs/dbraw/zinc/32/73/67/554327367.db2.gz ZXEULDJSILFOED-OUVFHBEHSA-N -1 0 517.575 1.522 50 0 KDAARM C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-] ZINC000049942551 554327360 /nfs/dbraw/zinc/32/73/60/554327360.db2.gz ZXEULDJSILFOED-VHFCWCHLSA-N -1 0 517.575 1.522 50 0 KDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000060045037 554497535 /nfs/dbraw/zinc/49/75/35/554497535.db2.gz NIPLHFLTMHGVTE-NVQXNPDNSA-N -1 0 551.596 1.809 50 0 KDAARM CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000070664659 553594635 /nfs/dbraw/zinc/59/46/35/553594635.db2.gz XPPVPEBAMOGLNL-QHAWAJNXSA-N -1 0 636.699 1.455 50 0 biogenic KDAARM CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000070664666 553594898 /nfs/dbraw/zinc/59/48/98/553594898.db2.gz XPPVPEBAMOGLNL-PCCBWWKXSA-N -1 0 636.699 1.455 50 0 biogenic KDAARM CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000070665104 553595813 /nfs/dbraw/zinc/59/58/13/553595813.db2.gz PHWAJZBFJSWBIQ-ACRUOGEOSA-N -1 0 636.699 1.455 50 0 biogenic KDAARM CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000070665108 553595835 /nfs/dbraw/zinc/59/58/35/553595835.db2.gz PHWAJZBFJSWBIQ-PCCBWWKXSA-N -1 0 636.699 1.455 50 0 biogenic KDAARM CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000070670201 553601074 /nfs/dbraw/zinc/60/10/74/553601074.db2.gz GECFLNOUXIAXFR-KWXDATOUSA-N -1 0 568.630 1.395 50 0 biogenic KDAARM 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)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000070680326 553604100 /nfs/dbraw/zinc/60/41/00/553604100.db2.gz CGAKIHUDGZMGAF-QZZGXKAUSA-N -1 0 560.644 1.587 50 0 biogenic KDAARM CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000070687314 553606757 /nfs/dbraw/zinc/60/67/57/553606757.db2.gz WITOADOAFKGKPT-PMACEKPBSA-N -1 0 545.749 1.956 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000070699233 553615949 /nfs/dbraw/zinc/61/59/49/553615949.db2.gz SECULALSVDWOQS-CGCKEFBRSA-N -1 0 531.569 1.223 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000070699240 553615931 /nfs/dbraw/zinc/61/59/31/553615931.db2.gz SECULALSVDWOQS-QDNNMPSSSA-N -1 0 531.569 1.223 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000070699779 553617051 /nfs/dbraw/zinc/61/70/51/553617051.db2.gz AFDUFVPNZWQZMI-FKBYEOEOSA-N -1 0 540.642 1.937 50 0 biogenic KDAARM CSCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070699887 553617502 /nfs/dbraw/zinc/61/75/02/553617502.db2.gz MSTHUMOXXUDDCG-FSSWDIPSSA-N -1 0 538.626 1.787 50 0 biogenic KDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000070699917 553617474 /nfs/dbraw/zinc/61/74/74/553617474.db2.gz JDNWYTILYCPBSU-FQEVSTJZSA-N -1 0 543.960 1.438 50 0 biogenic KDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000070699920 553617429 /nfs/dbraw/zinc/61/74/29/553617429.db2.gz JDNWYTILYCPBSU-HXUWFJFHSA-N -1 0 543.960 1.438 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000070700009 553617404 /nfs/dbraw/zinc/61/74/04/553617404.db2.gz AFDUFVPNZWQZMI-FDFHNCONSA-N -1 0 540.642 1.937 50 0 biogenic KDAARM C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000070700159 553618022 /nfs/dbraw/zinc/61/80/22/553618022.db2.gz NXJYJHDDQUZYBZ-HJPURHCSSA-N -1 0 531.569 1.783 50 0 biogenic KDAARM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070700184 553617919 /nfs/dbraw/zinc/61/79/19/553617919.db2.gz UGOUFGFCPZDETB-NWVWQQAFSA-N -1 0 528.565 1.790 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000070700194 553618063 /nfs/dbraw/zinc/61/80/63/553618063.db2.gz UFUCBUIDUQDHOE-RVMZHNTDSA-N -1 0 549.584 1.046 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000070700198 553617937 /nfs/dbraw/zinc/61/79/37/553617937.db2.gz UFUCBUIDUQDHOE-OBAATPRFSA-N -1 0 549.584 1.046 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000070700419 553618476 /nfs/dbraw/zinc/61/84/76/553618476.db2.gz CHXCMDQKIORBRU-FKBYEOEOSA-N -1 0 540.642 1.937 50 0 biogenic KDAARM C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070700422 553618638 /nfs/dbraw/zinc/61/86/38/553618638.db2.gz ZTBDGQURRSKMPS-NWVWQQAFSA-N -1 0 528.565 1.790 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070700497 553618604 /nfs/dbraw/zinc/61/86/04/553618604.db2.gz NESDWFNGGHRDCW-RXYZOABWSA-N -1 0 519.558 1.685 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000070700536 553618781 /nfs/dbraw/zinc/61/87/81/553618781.db2.gz SMEKSEYFODSNDF-BCPWGIMGSA-N -1 0 518.570 1.729 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000070700539 553618843 /nfs/dbraw/zinc/61/88/43/553618843.db2.gz SMEKSEYFODSNDF-ZFWANCBESA-N -1 0 518.570 1.729 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000070700542 553618821 /nfs/dbraw/zinc/61/88/21/553618821.db2.gz SMEKSEYFODSNDF-MKISSOOHSA-N -1 0 518.570 1.729 50 0 biogenic KDAARM CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070700618 553618880 /nfs/dbraw/zinc/61/88/80/553618880.db2.gz NESDWFNGGHRDCW-UZQPLGKSSA-N -1 0 519.558 1.685 50 0 biogenic KDAARM C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070700762 553619427 /nfs/dbraw/zinc/61/94/27/553619427.db2.gz UGOUFGFCPZDETB-DKLXNKCPSA-N -1 0 528.565 1.790 50 0 biogenic KDAARM C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000070700859 553619719 /nfs/dbraw/zinc/61/97/19/553619719.db2.gz GCYUBLCJWCARQS-RXYZOABWSA-N -1 0 517.542 1.535 50 0 biogenic KDAARM CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000070700912 553619904 /nfs/dbraw/zinc/61/99/04/553619904.db2.gz LKTUJUDNQJTEHZ-YDFBLROQSA-N -1 0 519.558 1.685 50 0 biogenic KDAARM CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000070700922 553620094 /nfs/dbraw/zinc/62/00/94/553620094.db2.gz CHXCMDQKIORBRU-FSSWDIPSSA-N -1 0 540.642 1.937 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070701335 553621466 /nfs/dbraw/zinc/62/14/66/553621466.db2.gz MSTHUMOXXUDDCG-FKBYEOEOSA-N -1 0 538.626 1.787 50 0 biogenic KDAARM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000070701616 553622454 /nfs/dbraw/zinc/62/24/54/553622454.db2.gz YPECUESEJFCLSL-QZTJIDSGSA-N -1 0 534.635 1.302 50 0 biogenic KDAARM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000070704510 553622959 /nfs/dbraw/zinc/62/29/59/553622959.db2.gz YPECUESEJFCLSL-ZWKOTPCHSA-N -1 0 534.635 1.302 50 0 biogenic KDAARM Cc1c(O)ccc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc12 ZINC000070704873 553624091 /nfs/dbraw/zinc/62/40/91/553624091.db2.gz LQBFLYKFUMMQIK-SFTDATJTSA-N -1 0 552.584 1.403 50 0 biogenic KDAARM COc1ccc2c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1C ZINC000070705112 553624567 /nfs/dbraw/zinc/62/45/67/553624567.db2.gz AASPQGWRDFXVJC-NRFANRHFSA-N -1 0 569.636 1.696 50 0 biogenic KDAARM NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070705178 553624828 /nfs/dbraw/zinc/62/48/28/553624828.db2.gz KMXXAGHAVMAMID-SDHOMARFSA-N -1 0 585.617 1.036 50 0 biogenic KDAARM NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070705391 553625384 /nfs/dbraw/zinc/62/53/84/553625384.db2.gz KDEWIWREJCPXOZ-KKUQBAQOSA-N -1 0 614.659 1.219 50 0 biogenic KDAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000070705637 553625819 /nfs/dbraw/zinc/62/58/19/553625819.db2.gz JRIRYTIZEVHCKZ-WIQPIVSASA-N -1 0 580.642 1.022 50 0 biogenic KDAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000070705638 553625852 /nfs/dbraw/zinc/62/58/52/553625852.db2.gz JRIRYTIZEVHCKZ-QMZRJTEUSA-N -1 0 580.642 1.022 50 0 biogenic KDAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000070705715 553626121 /nfs/dbraw/zinc/62/61/21/553626121.db2.gz AJVFWDZTLSYUKH-DEOSSOPVSA-N -1 0 618.643 1.558 50 0 biogenic KDAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCC(=O)NCC(=O)[O-])c(=O)oc2c1 ZINC000070706017 553626978 /nfs/dbraw/zinc/62/69/78/553626978.db2.gz XKPUEEAIMDQCPI-NRFANRHFSA-N -1 0 555.609 1.388 50 0 biogenic KDAARM C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706021 553626944 /nfs/dbraw/zinc/62/69/44/553626944.db2.gz OWQZZGXGDUVEJE-MGKKLRQFSA-N -1 0 558.591 1.151 50 0 biogenic KDAARM C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706026 553626982 /nfs/dbraw/zinc/62/69/82/553626982.db2.gz OWQZZGXGDUVEJE-DNQHQPOYSA-N -1 0 558.591 1.151 50 0 biogenic KDAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCC(=O)NCC(=O)[O-])c(=O)oc2c1OC ZINC000070706164 553627179 /nfs/dbraw/zinc/62/71/79/553627179.db2.gz JLKPIPNAPCJPKL-FQEVSTJZSA-N -1 0 585.635 1.396 50 0 biogenic KDAARM CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706882 553629024 /nfs/dbraw/zinc/62/90/24/553629024.db2.gz MDKCJSGKAIYQDL-RXYZOABWSA-N -1 0 551.625 1.782 50 0 biogenic KDAARM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706960 553629363 /nfs/dbraw/zinc/62/93/63/553629363.db2.gz UGOUFGFCPZDETB-GKVQRAMASA-N -1 0 528.565 1.790 50 0 biogenic KDAARM C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070707019 553629615 /nfs/dbraw/zinc/62/96/15/553629615.db2.gz UGOUFGFCPZDETB-PUZWTLIVSA-N -1 0 528.565 1.790 50 0 biogenic KDAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](CCCNC(N)=O)C(=O)NCC(=O)[O-])oc1c3CCCC1 ZINC000070707592 553631198 /nfs/dbraw/zinc/63/11/98/553631198.db2.gz PBFLCHWLCNYZLD-LJQANCHMSA-N -1 0 540.573 1.793 50 0 biogenic KDAARM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000070707644 553631221 /nfs/dbraw/zinc/63/12/21/553631221.db2.gz IPCNGLXNPBRUGQ-RJGXRXQPSA-N -1 0 580.642 1.022 50 0 biogenic KDAARM CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000071788347 553638665 /nfs/dbraw/zinc/63/86/65/553638665.db2.gz RDQXFDPVOCUTTL-BZSNNMDCSA-N -1 0 563.458 1.802 50 0 KDAARM Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])ccc12 ZINC000071788393 553638813 /nfs/dbraw/zinc/63/88/13/553638813.db2.gz HHPVJKZZYOXPLH-SPEDKVCISA-N -1 0 564.595 1.642 50 0 KDAARM CCOC(=O)C1=C(COC(=O)C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)NC(=O)N[C@@H]1C ZINC000072138528 553644670 /nfs/dbraw/zinc/64/46/70/553644670.db2.gz OFYGYDXLNATHBO-MRVPVSSYSA-N -1 0 526.312 1.067 50 0 KDAARM CCOC(=O)C1=C(COC(=O)C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)NC(=O)N[C@H]1C ZINC000072138529 553644656 /nfs/dbraw/zinc/64/46/56/553644656.db2.gz OFYGYDXLNATHBO-QMMMGPOBSA-N -1 0 526.312 1.067 50 0 KDAARM CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000077292786 553659705 /nfs/dbraw/zinc/65/97/05/553659705.db2.gz ORICVOOXZDVFIP-VOZJJELXSA-N -1 0 656.641 1.651 50 0 in-vitro KDAARM C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000079183219 553666090 /nfs/dbraw/zinc/66/60/90/553666090.db2.gz BRYNWTBQIJXYJY-MTNREXPMSA-N -1 0 646.698 1.592 50 0 biogenic KDAARM Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])ccc12 ZINC000085544457 553683445 /nfs/dbraw/zinc/68/34/45/553683445.db2.gz FMVUZZZUYBXQGR-KCXKOMAXSA-N -1 0 661.712 1.633 50 0 KDAARM C/C=C1/C(=O)N[C@@H](C(=O)[O-])[C@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N1C ZINC000085600024 553685092 /nfs/dbraw/zinc/68/50/92/553685092.db2.gz IXBQSRWSVIBXNC-HSKGSTCASA-N -1 0 824.977 1.183 50 0 in-vitro KDAARM CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000095566298 553704633 /nfs/dbraw/zinc/70/46/33/553704633.db2.gz YFYGWSCMDCTAKZ-UHFFFAOYSA-N -1 0 525.939 1.329 50 0 KDAARM CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000096307098 553749431 /nfs/dbraw/zinc/74/94/31/553749431.db2.gz XYVCCDSFTREKQJ-UHFFFAOYSA-N -1 0 541.635 1.119 50 0 in-vitro KDAARM COc1ccc(-c2nnc([N-][C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)o2)cc1 ZINC000096592150 553756363 /nfs/dbraw/zinc/75/63/63/553756363.db2.gz HYKGLNRYESDFIZ-QXQWVWGKSA-N 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CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Br)c3C)[C@@H]2SC1 ZINC000097945316 553771150 /nfs/dbraw/zinc/77/11/50/553771150.db2.gz POBGHJCKWKQXDA-LRDDRELGSA-N -1 0 523.312 1.193 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Br)c3C)[C@@H]2SC1 ZINC000097945317 553771419 /nfs/dbraw/zinc/77/14/19/553771419.db2.gz POBGHJCKWKQXDA-WBMJQRKESA-N -1 0 523.312 1.193 50 0 KDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)nc(OC)n1 ZINC000097945361 553771721 /nfs/dbraw/zinc/77/17/21/553771721.db2.gz LETCYLHQKFIXRN-UHFFFAOYSA-N -1 0 524.606 1.751 50 0 KDAARM CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12)n1nc(C)c(Cl)c1C ZINC000097945440 553772199 /nfs/dbraw/zinc/77/21/99/553772199.db2.gz NXNMTXPUPIYCKG-BTJLNZGRSA-N -1 0 527.032 1.159 50 0 KDAARM CC[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12)n1nc(C)c(Cl)c1C ZINC000097945442 553772158 /nfs/dbraw/zinc/77/21/58/553772158.db2.gz NXNMTXPUPIYCKG-CJBNDPTMSA-N -1 0 527.032 1.159 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@H]2SC1 ZINC000097945448 553772204 /nfs/dbraw/zinc/77/22/04/553772204.db2.gz WSCPUQTYWBJXKL-YMTOWFKASA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@@H]2SC1 ZINC000097945449 553772392 /nfs/dbraw/zinc/77/23/92/553772392.db2.gz WSCPUQTYWBJXKL-OTYXRUKQSA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@H]2SC1 ZINC000097945450 553772447 /nfs/dbraw/zinc/77/24/47/553772447.db2.gz WSCPUQTYWBJXKL-LKFCYVNXSA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@@H]2SC1 ZINC000097945451 553772397 /nfs/dbraw/zinc/77/23/97/553772397.db2.gz WSCPUQTYWBJXKL-XPTSAGLGSA-N -1 0 527.275 1.117 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1 ZINC000097946033 553776135 /nfs/dbraw/zinc/77/61/35/553776135.db2.gz 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CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1 ZINC000097948365 553793398 /nfs/dbraw/zinc/79/33/98/553793398.db2.gz WOZLUSODATVCBH-YVEFUNNKSA-N -1 0 567.340 1.844 50 0 KDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1 ZINC000097948366 553793308 /nfs/dbraw/zinc/79/33/08/553793308.db2.gz WOZLUSODATVCBH-SJCJKPOMSA-N -1 0 567.340 1.844 50 0 KDAARM CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)CCC(=O)[O-])C2=O)cc1 ZINC000097950333 553804046 /nfs/dbraw/zinc/80/40/46/553804046.db2.gz USTXHSQPSMHCTD-OAQYLSRUSA-N -1 0 531.587 1.691 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4c(OC)cccc4OC)CC3)nc21 ZINC000097951615 553810182 /nfs/dbraw/zinc/81/01/82/553810182.db2.gz FLSZTGZXWRKORK-UHFFFAOYSA-N -1 0 526.575 1.364 50 0 KDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cc(OC)cc(OC)c4)CC3)nc21 ZINC000097951658 553810649 /nfs/dbraw/zinc/81/06/49/553810649.db2.gz CVCGEFZTNYRKRQ-UHFFFAOYSA-N -1 0 526.575 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