smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002101239 551762248 /nfs/dbraw/zinc/76/22/48/551762248.db2.gz CZHXWJUFFYDJKV-ITOWZWGRSA-N 1 0 556.619 2.797 50 0 KFAARO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002101241 551762228 /nfs/dbraw/zinc/76/22/28/551762228.db2.gz CZHXWJUFFYDJKV-XASJVRKQSA-N 1 0 556.619 2.797 50 0 KFAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000002192229 551790466 /nfs/dbraw/zinc/79/04/66/551790466.db2.gz HNCICGFNJFYBRP-SHJMPOBASA-N 1 0 516.642 2.916 50 0 KFAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338513 552097595 /nfs/dbraw/zinc/09/75/95/552097595.db2.gz PAXDIXLXGGVJMI-SAQZZPNQSA-N 1 0 531.794 2.601 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338515 552097470 /nfs/dbraw/zinc/09/74/70/552097470.db2.gz PAXDIXLXGGVJMI-VGHKVXAASA-N 1 0 531.794 2.601 50 0 KFAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338516 552097502 /nfs/dbraw/zinc/09/75/02/552097502.db2.gz PAXDIXLXGGVJMI-XQNUDUSMSA-N 1 0 531.794 2.601 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338518 552097537 /nfs/dbraw/zinc/09/75/37/552097537.db2.gz PAXDIXLXGGVJMI-XITLKHQFSA-N 1 0 531.794 2.601 50 0 KFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000002923610 552222139 /nfs/dbraw/zinc/22/21/39/552222139.db2.gz YYXGMRLXVDXNGY-UHFFFAOYSA-N 1 0 508.644 2.881 50 0 KFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000003049268 552276769 /nfs/dbraw/zinc/27/67/69/552276769.db2.gz WASWVKJSPYVDRN-UHFFFAOYSA-N 1 0 508.644 2.881 50 0 KFAARO CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H]([NH3+])Cc2cncn2C)CC1 ZINC000003948213 552423459 /nfs/dbraw/zinc/42/34/59/552423459.db2.gz GULVVTHHUIIMRL-WUFINQPMSA-N 1 0 559.711 2.956 50 0 in-vitro KFAARO CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000003995616 552425429 /nfs/dbraw/zinc/42/54/29/552425429.db2.gz DEQITUUQPICUMR-HJPBWRTMSA-N 1 0 611.743 2.717 50 0 biogenic,world KFAARO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCCCNC(=O)OCc1ccccc1 ZINC000004016998 552427759 /nfs/dbraw/zinc/42/77/59/552427759.db2.gz RMRQGSRUGRBWCV-YMULXSAJSA-N 1 0 659.784 2.543 50 0 KFAARO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])CCCCNC(=O)OCc1ccccc1 ZINC000004016999 552427813 /nfs/dbraw/zinc/42/78/13/552427813.db2.gz RMRQGSRUGRBWCV-YYLNTOIZSA-N 1 0 659.784 2.543 50 0 KFAARO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000004059831 552431917 /nfs/dbraw/zinc/43/19/17/552431917.db2.gz CEFIKNVKGSMLOV-LJWNLINESA-N 1 0 598.789 2.567 50 0 KFAARO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000004059832 552431949 /nfs/dbraw/zinc/43/19/49/552431949.db2.gz CEFIKNVKGSMLOV-UNFRKHOWSA-N 1 0 598.789 2.567 50 0 KFAARO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000004059833 552431831 /nfs/dbraw/zinc/43/18/31/552431831.db2.gz CEFIKNVKGSMLOV-PUHABZHSSA-N 1 0 598.789 2.567 50 0 KFAARO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000004059834 552431883 /nfs/dbraw/zinc/43/18/83/552431883.db2.gz CEFIKNVKGSMLOV-VIJSPRBVSA-N 1 0 598.789 2.567 50 0 KFAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)CC1 ZINC000004177869 552445908 /nfs/dbraw/zinc/44/59/08/552445908.db2.gz FLQYXSJREWKIED-UHFFFAOYSA-N 1 0 577.729 2.722 50 0 KFAARO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177883 552445915 /nfs/dbraw/zinc/44/59/15/552445915.db2.gz AXFJVTATHRTCRN-UHFFFAOYSA-N 1 0 552.719 2.542 50 0 KFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CC1 ZINC000004574478 552468249 /nfs/dbraw/zinc/46/82/49/552468249.db2.gz MLCKTFAWVBBAKF-UHFFFAOYSA-N 1 0 505.648 2.754 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761875 552478238 /nfs/dbraw/zinc/47/82/38/552478238.db2.gz CJUDQZMSWZKQSK-XMMPIXPASA-N 1 0 555.676 2.971 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761879 552478282 /nfs/dbraw/zinc/47/82/82/552478282.db2.gz CJUDQZMSWZKQSK-DEOSSOPVSA-N 1 0 555.676 2.971 50 0 KFAARO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)cc1 ZINC000004766618 552480590 /nfs/dbraw/zinc/48/05/90/552480590.db2.gz NEYYDGWDYTYEER-UHFFFAOYSA-N 1 0 545.615 2.828 50 0 KFAARO O=C(CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004790086 552483192 /nfs/dbraw/zinc/48/31/92/552483192.db2.gz IKQKGDLDRAXOSX-UHFFFAOYSA-N 1 0 608.743 2.683 50 0 KFAARO O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004790156 552483418 /nfs/dbraw/zinc/48/34/18/552483418.db2.gz QSQLEPUMAXISPJ-UHFFFAOYSA-N 1 0 501.990 2.591 50 0 KFAARO COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3)c(=O)c2cc1OC ZINC000004792681 552484956 /nfs/dbraw/zinc/48/49/56/552484956.db2.gz MTPJIUFRGXXIQF-UHFFFAOYSA-N 1 0 506.603 2.846 50 0 KFAARO OCC[NH+](CCO)C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000008426028 553017249 /nfs/dbraw/zinc/01/72/49/553017249.db2.gz FLBUGINTQGVWCD-OAHLLOKOSA-N 1 0 580.204 2.651 50 0 KFAARO OCC[NH+](CCO)C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000008426030 553017488 /nfs/dbraw/zinc/01/74/88/553017488.db2.gz FLBUGINTQGVWCD-HNNXBMFYSA-N 1 0 580.204 2.651 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583210 553079104 /nfs/dbraw/zinc/07/91/04/553079104.db2.gz MEALKQDRUBCHFH-NRFANRHFSA-N 1 0 537.480 2.868 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583211 553079091 /nfs/dbraw/zinc/07/90/91/553079091.db2.gz MEALKQDRUBCHFH-OAQYLSRUSA-N 1 0 537.480 2.868 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)CS3)CC1 ZINC000008583404 553079624 /nfs/dbraw/zinc/07/96/24/553079624.db2.gz AGLPNIAJSHEICP-UHFFFAOYSA-N 1 0 522.737 2.784 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[NH+]2CCCCC2)C(=O)CS3)CC1 ZINC000008583405 553079514 /nfs/dbraw/zinc/07/95/14/553079514.db2.gz BISNTZLJOISAOD-UHFFFAOYSA-N 1 0 508.710 2.538 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)C(=O)CS3)CC1 ZINC000008583406 561705806 /nfs/dbraw/zinc/70/58/06/561705806.db2.gz YKNOWUABHILLSP-FQEVSTJZSA-N 1 0 522.737 2.784 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)CS3)CC1 ZINC000008583407 561705826 /nfs/dbraw/zinc/70/58/26/561705826.db2.gz YKNOWUABHILLSP-HXUWFJFHSA-N 1 0 522.737 2.784 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C(=O)CS3)CC1 ZINC000008583417 553079593 /nfs/dbraw/zinc/07/95/93/553079593.db2.gz WPIISYADMORYSX-FQEVSTJZSA-N 1 0 522.737 2.927 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C(=O)CS3)CC1 ZINC000008583418 553079562 /nfs/dbraw/zinc/07/95/62/553079562.db2.gz WPIISYADMORYSX-HXUWFJFHSA-N 1 0 522.737 2.927 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000008584792 553080402 /nfs/dbraw/zinc/08/04/02/553080402.db2.gz AHGMQAIFYUVQEJ-NRFANRHFSA-N 1 0 511.019 2.898 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000008584793 553080484 /nfs/dbraw/zinc/08/04/84/553080484.db2.gz AHGMQAIFYUVQEJ-OAQYLSRUSA-N 1 0 511.019 2.898 50 0 KFAARO CCCC[N@H+](CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000008591333 553082419 /nfs/dbraw/zinc/08/24/19/553082419.db2.gz IVCDKRCYPUEPPJ-UHFFFAOYSA-N 1 0 604.799 2.524 50 0 KFAARO CCC[NH+](CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000008591336 553082431 /nfs/dbraw/zinc/08/24/31/553082431.db2.gz OOZDIJBJFBLFQT-UHFFFAOYSA-N 1 0 604.799 2.524 50 0 KFAARO CCC[NH+](CCC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O ZINC000008591342 553082518 /nfs/dbraw/zinc/08/25/18/553082518.db2.gz AJMAWZRNBMIIRA-UHFFFAOYSA-N 1 0 511.714 2.569 50 0 KFAARO CCC[NH+](CCC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000008591373 553082423 /nfs/dbraw/zinc/08/24/23/553082423.db2.gz KODSUFVGHDUXKI-UHFFFAOYSA-N 1 0 525.741 2.815 50 0 KFAARO CCn1cc(C(=O)NCC[NH+](CC)CC)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000008597013 553091625 /nfs/dbraw/zinc/09/16/25/553091625.db2.gz PHBAPOBSXYGPPZ-UHFFFAOYSA-N 1 0 510.660 2.840 50 0 KFAARO Cn1c2nc(NCc3ccco3)n(C[C@H](O)C[NH+](Cc3ccccc3)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008648872 553107290 /nfs/dbraw/zinc/10/72/90/553107290.db2.gz WLEWWKICWGVCCO-HSZRJFAPSA-N 1 0 528.613 2.702 50 0 KFAARO Cn1c2nc(NCc3ccco3)n(C[C@@H](O)C[NH+](Cc3ccccc3)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008648873 553107345 /nfs/dbraw/zinc/10/73/45/553107345.db2.gz WLEWWKICWGVCCO-QHCPKHFHSA-N 1 0 528.613 2.702 50 0 KFAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(C(=O)CN2C[C@H](c3ccccc3)NC2=S)C2CC2)CC1 ZINC000008695944 553124804 /nfs/dbraw/zinc/12/48/04/553124804.db2.gz SEMOPPAVELTVFS-HHHXNRCGSA-N 1 0 576.767 2.849 50 0 KFAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(C(=O)CN2C[C@@H](c3ccccc3)NC2=S)C2CC2)CC1 ZINC000008695945 553124830 /nfs/dbraw/zinc/12/48/30/553124830.db2.gz SEMOPPAVELTVFS-MHZLTWQESA-N 1 0 576.767 2.849 50 0 KFAARO O=C(Nc1ccccc1)c1c(=O)n(-c2ccccc2)[n-][n+]1C[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008752132 553135412 /nfs/dbraw/zinc/13/54/12/553135412.db2.gz ACOWTIIKOJVOMX-RUZDIDTESA-O 1 0 534.040 2.954 50 0 KFAARO O=C(Nc1ccccc1)c1c(=O)n(-c2ccccc2)[n-][n+]1C[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008752143 553135429 /nfs/dbraw/zinc/13/54/29/553135429.db2.gz ACOWTIIKOJVOMX-VWLOTQADSA-O 1 0 534.040 2.954 50 0 KFAARO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008764842 553138150 /nfs/dbraw/zinc/13/81/50/553138150.db2.gz KYKALJDUMOLYGZ-SFHVURJKSA-N 1 0 506.470 2.687 50 0 biogenic KFAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccc(OC)cc1 ZINC000008766793 553139116 /nfs/dbraw/zinc/13/91/16/553139116.db2.gz DMHSQXMCYLQLHA-MOHJPFBDSA-N 1 0 541.674 2.533 50 0 KFAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1 ZINC000008766796 553139117 /nfs/dbraw/zinc/13/91/17/553139117.db2.gz GTTSXZQXRUKKBS-NKFKGCMQSA-N 1 0 511.648 2.525 50 0 KFAARO CSCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008791956 553147481 /nfs/dbraw/zinc/14/74/81/553147481.db2.gz MULNGVGDXOWVCA-SFHVURJKSA-N 1 0 506.470 2.687 50 0 biogenic KFAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCCN3CCC([NH+]4CCCCC4)CC3)c(O)c2c1 ZINC000008811137 553148793 /nfs/dbraw/zinc/14/87/93/553148793.db2.gz ZFRNQNWBLCBQAF-UHFFFAOYSA-N 1 0 531.723 2.629 50 0 KFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000008811782 553149349 /nfs/dbraw/zinc/14/93/49/553149349.db2.gz LRBWIOLDBNCLSG-HXUWFJFHSA-N 1 0 502.637 2.547 50 0 KFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000008811784 553149309 /nfs/dbraw/zinc/14/93/09/553149309.db2.gz LRBWIOLDBNCLSG-FQEVSTJZSA-N 1 0 502.637 2.547 50 0 KFAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008812065 553149621 /nfs/dbraw/zinc/14/96/21/553149621.db2.gz FPAJGBBSQAQOCU-UHFFFAOYSA-N 1 0 522.671 2.997 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[NH+]2CCCCCC2)C(=O)CS3)CC1 ZINC000008812287 553149927 /nfs/dbraw/zinc/14/99/27/553149927.db2.gz MDXLMIATUMKRAP-UHFFFAOYSA-N 1 0 522.737 2.928 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C(=O)CS3)CC1 ZINC000008812323 553149942 /nfs/dbraw/zinc/14/99/42/553149942.db2.gz QYSQSLZFKNNTDA-IBGZPJMESA-N 1 0 508.710 2.537 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C(=O)CS3)CC1 ZINC000008812327 553149820 /nfs/dbraw/zinc/14/98/20/553149820.db2.gz ODPKPXADMKKELP-WOJBJXKFSA-N 1 0 522.737 2.925 50 0 KFAARO C[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000008812663 553150070 /nfs/dbraw/zinc/15/00/70/553150070.db2.gz FVJQCLAQTYAAQD-UHFFFAOYSA-N 1 0 530.716 2.938 50 0 KFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)C1 ZINC000008812742 553150052 /nfs/dbraw/zinc/15/00/52/553150052.db2.gz DDVADWTYRSNOBF-BGYRXZFFSA-N 1 0 522.737 2.784 50 0 KFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)C1 ZINC000008812749 553150037 /nfs/dbraw/zinc/15/00/37/553150037.db2.gz DDVADWTYRSNOBF-WOJBJXKFSA-N 1 0 522.737 2.784 50 0 KFAARO O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCCC[NH+]1CCCCCC1 ZINC000008812964 553150609 /nfs/dbraw/zinc/15/06/09/553150609.db2.gz QDNUHTDNNHLDEY-UHFFFAOYSA-N 1 0 508.710 2.682 50 0 KFAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)CC1 ZINC000008860364 553170117 /nfs/dbraw/zinc/17/01/17/553170117.db2.gz YPRKFQXXLSUQMC-UHFFFAOYSA-N 1 0 508.710 2.538 50 0 KFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3CCCN(c4nn5c(nc(C)cc5=O)s4)C3)CC2)c1 ZINC000008911611 553184029 /nfs/dbraw/zinc/18/40/29/553184029.db2.gz PLVWRLQBOGARLC-JOCHJYFZSA-N 1 0 523.707 2.621 50 0 KFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3CCCN(c4nn5c(nc(C)cc5=O)s4)C3)CC2)c1 ZINC000008911612 553184045 /nfs/dbraw/zinc/18/40/45/553184045.db2.gz PLVWRLQBOGARLC-QFIPXVFZSA-N 1 0 523.707 2.621 50 0 KFAARO CCn1cc(C(=O)NCC[NH+](CC)CC)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000009009022 553199239 /nfs/dbraw/zinc/19/92/39/553199239.db2.gz JPTAOSKMNYERRD-UHFFFAOYSA-N 1 0 511.598 2.788 50 0 KFAARO COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NC[C@@H]5CC[N@@H+](C6CCCC6)C5)n4n3)CC2)c1 ZINC000009118867 553212066 /nfs/dbraw/zinc/21/20/66/553212066.db2.gz ACEXXRSMNGGTAW-QFIPXVFZSA-N 1 0 532.693 2.773 50 0 KFAARO COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NC[C@H]5CC[N@@H+](C6CCCC6)C5)n4n3)CC2)c1 ZINC000009118871 553212135 /nfs/dbraw/zinc/21/21/35/553212135.db2.gz ACEXXRSMNGGTAW-JOCHJYFZSA-N 1 0 532.693 2.773 50 0 KFAARO COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000009128806 553212998 /nfs/dbraw/zinc/21/29/98/553212998.db2.gz ABBQZJVLQUVQLN-IZZNHLLZSA-N 1 0 508.663 2.651 50 0 KFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000009191427 553218591 /nfs/dbraw/zinc/21/85/91/553218591.db2.gz JUCBCFVEUINVCC-QHCPKHFHSA-N 1 0 518.724 2.812 50 0 KFAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 ZINC000009347840 553244626 /nfs/dbraw/zinc/24/46/26/553244626.db2.gz RCYUEQQSQCSCIV-TVZIFOOBSA-N 1 0 506.868 2.549 50 0 KFAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391506 553254389 /nfs/dbraw/zinc/25/43/89/553254389.db2.gz VTBFZBRIAGYLTG-UHFFFAOYSA-N 1 0 521.661 2.967 50 0 KFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000009431185 553260981 /nfs/dbraw/zinc/26/09/81/553260981.db2.gz ZAYKJWBAWZDUMM-QPPBQGQZSA-N 1 0 516.708 2.976 50 0 KFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000009431188 553260975 /nfs/dbraw/zinc/26/09/75/553260975.db2.gz ZAYKJWBAWZDUMM-URXFXBBRSA-N 1 0 516.708 2.976 50 0 KFAARO CC[C@H](C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530081 553277495 /nfs/dbraw/zinc/27/74/95/553277495.db2.gz ONIDEQMXMMZNJK-WTOYTKOKSA-N 1 0 504.678 2.919 50 0 KFAARO COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NC1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000009589612 553282853 /nfs/dbraw/zinc/28/28/53/553282853.db2.gz DMEIGNDDBDIXMU-UHFFFAOYSA-N 1 0 506.603 2.818 50 0 KFAARO COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCC[NH+]4CCC(C)CC4)ccc3c2=O)cc1OC ZINC000009590071 553282772 /nfs/dbraw/zinc/28/27/72/553282772.db2.gz YPMZYUVICQMUHE-UHFFFAOYSA-N 1 0 508.619 2.802 50 0 KFAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CCc3c(C)nc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000009610433 553288483 /nfs/dbraw/zinc/28/84/83/553288483.db2.gz OZWNZZJSOJXCSX-UHFFFAOYSA-N 1 0 505.663 2.827 50 0 KFAARO C[N@H+](CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Cc1ccccc1 ZINC000009611482 553289216 /nfs/dbraw/zinc/28/92/16/553289216.db2.gz UKICEEXEFWRHEP-AREMUKBSSA-N 1 0 520.655 2.709 50 0 KFAARO C[N@H+](CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Cc1ccccc1 ZINC000009611483 553289241 /nfs/dbraw/zinc/28/92/41/553289241.db2.gz UKICEEXEFWRHEP-SANMLTNESA-N 1 0 520.655 2.709 50 0 KFAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611484 553289246 /nfs/dbraw/zinc/28/92/46/553289246.db2.gz FWFGQWWTVQURBY-RCZVLFRGSA-N 1 0 512.676 2.842 50 0 KFAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611485 553289258 /nfs/dbraw/zinc/28/92/58/553289258.db2.gz FWFGQWWTVQURBY-WIOPSUGQSA-N 1 0 512.676 2.842 50 0 KFAARO Cn1c2nnc(CCCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c2ccsc2c1=O ZINC000009673570 553294322 /nfs/dbraw/zinc/29/43/22/553294322.db2.gz ASVAPFAYGDAIHK-UHFFFAOYSA-N 1 0 528.082 2.947 50 0 KFAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692620 553298164 /nfs/dbraw/zinc/29/81/64/553298164.db2.gz QAENAIRGQKEAEC-TZIWHRDSSA-N 1 0 501.678 2.962 50 0 KFAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692621 553298155 /nfs/dbraw/zinc/29/81/55/553298155.db2.gz QAENAIRGQKEAEC-PZJWPPBQSA-N 1 0 501.678 2.962 50 0 KFAARO COc1ccc(N(CC(=O)NCCC[N@H+](C)Cc2ccccc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000009723029 553301331 /nfs/dbraw/zinc/30/13/31/553301331.db2.gz RHIJOESQIJNHGI-UHFFFAOYSA-N 1 0 513.664 2.879 50 0 KFAARO CC(C)[N@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)Cc1ccccc1 ZINC000009724468 553301510 /nfs/dbraw/zinc/30/15/10/553301510.db2.gz YWQWNEYXGHELRS-UHFFFAOYSA-N 1 0 510.660 2.963 50 0 KFAARO CCn1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725728 553301780 /nfs/dbraw/zinc/30/17/80/553301780.db2.gz LPEAWELIAOMQEO-BGYRXZFFSA-N 1 0 502.681 2.904 50 0 KFAARO CCn1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725738 553301777 /nfs/dbraw/zinc/30/17/77/553301777.db2.gz LPEAWELIAOMQEO-PMACEKPBSA-N 1 0 502.681 2.904 50 0 KFAARO CCn1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725746 553301751 /nfs/dbraw/zinc/30/17/51/553301751.db2.gz LPEAWELIAOMQEO-WOJBJXKFSA-N 1 0 502.681 2.904 50 0 KFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)nc(C)n3n2)cc1 ZINC000009727777 553302139 /nfs/dbraw/zinc/30/21/39/553302139.db2.gz USWBPFMWOIEMBL-UHFFFAOYSA-N 1 0 519.694 2.885 50 0 KFAARO CCn1cc(C(=O)NCCC[NH+]2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000009731175 553302488 /nfs/dbraw/zinc/30/24/88/553302488.db2.gz WCHXLTHUCTUJJR-UHFFFAOYSA-N 1 0 522.671 2.984 50 0 KFAARO CCn1cc(C(=O)NCC[NH+]2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000009731179 553302470 /nfs/dbraw/zinc/30/24/70/553302470.db2.gz XPJLDONOAFFVLK-UHFFFAOYSA-N 1 0 508.644 2.594 50 0 KFAARO CCOCCC[N@H+](CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccco1 ZINC000009747595 553302839 /nfs/dbraw/zinc/30/28/39/553302839.db2.gz LNCGRPUYCKFGAO-LJQANCHMSA-N 1 0 504.657 2.519 50 0 KFAARO CCOCCC[N@H+](CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccco1 ZINC000009747607 553302867 /nfs/dbraw/zinc/30/28/67/553302867.db2.gz LNCGRPUYCKFGAO-IBGZPJMESA-N 1 0 504.657 2.519 50 0 KFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1OC ZINC000009776309 553305480 /nfs/dbraw/zinc/30/54/80/553305480.db2.gz BPIXVGVDHTVLOW-BGYRXZFFSA-N 1 0 535.645 2.617 50 0 KFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1OC ZINC000009776310 553305467 /nfs/dbraw/zinc/30/54/67/553305467.db2.gz BPIXVGVDHTVLOW-PMACEKPBSA-N 1 0 535.645 2.617 50 0 KFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1OC ZINC000009776311 553305473 /nfs/dbraw/zinc/30/54/73/553305473.db2.gz BPIXVGVDHTVLOW-WOJBJXKFSA-N 1 0 535.645 2.617 50 0 KFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000009833540 553309969 /nfs/dbraw/zinc/30/99/69/553309969.db2.gz QWTHCYALMWJUAO-HXUWFJFHSA-N 1 0 505.619 2.895 50 0 KFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000009833544 553309911 /nfs/dbraw/zinc/30/99/11/553309911.db2.gz QWTHCYALMWJUAO-FQEVSTJZSA-N 1 0 505.619 2.895 50 0 KFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009833551 553309950 /nfs/dbraw/zinc/30/99/50/553309950.db2.gz IHJDLPOVTJXFJH-BGYRXZFFSA-N 1 0 505.619 2.608 50 0 KFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009833554 553309888 /nfs/dbraw/zinc/30/98/88/553309888.db2.gz IHJDLPOVTJXFJH-PMACEKPBSA-N 1 0 505.619 2.608 50 0 KFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009833560 553309871 /nfs/dbraw/zinc/30/98/71/553309871.db2.gz IHJDLPOVTJXFJH-WOJBJXKFSA-N 1 0 505.619 2.608 50 0 KFAARO CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2CO)CC1 ZINC000009835182 553310384 /nfs/dbraw/zinc/31/03/84/553310384.db2.gz VHUCADWRIQJDHP-UHFFFAOYSA-N 1 0 522.646 2.924 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000009835202 553310281 /nfs/dbraw/zinc/31/02/81/553310281.db2.gz 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COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000013146148 553455119 /nfs/dbraw/zinc/45/51/19/553455119.db2.gz URASHEDMHKHLGE-XDQZKXAQSA-N 1 0 529.659 2.691 50 0 KFAARO C[NH+]1CCN(c2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c3nonc32)CC1 ZINC000013328489 553458631 /nfs/dbraw/zinc/45/86/31/553458631.db2.gz ZXFZFXCKVBLFPN-UHFFFAOYSA-N 1 0 513.601 2.559 50 0 KFAARO CSCC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000013551865 553470455 /nfs/dbraw/zinc/47/04/55/553470455.db2.gz MULNGVGDXOWVCA-GOSISDBHSA-N 1 0 506.470 2.687 50 0 KFAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013591689 553477007 /nfs/dbraw/zinc/47/70/07/553477007.db2.gz QKLUCXMJAOUBOR-ZCCCYRDXSA-N 1 0 504.974 2.963 50 0 KFAARO CCCOc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+]2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000013916432 553495812 /nfs/dbraw/zinc/49/58/12/553495812.db2.gz IYFNEFQTYQPVOC-QGZVFWFLSA-N 1 0 516.668 2.828 50 0 world KFAARO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(c4nc5ccccc5o4)CC3)CC2)cc1 ZINC000014117230 553500888 /nfs/dbraw/zinc/50/08/88/553500888.db2.gz WANLQEWWJFLGFY-UHFFFAOYSA-N 1 0 512.632 2.939 50 0 KFAARO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014530356 553517442 /nfs/dbraw/zinc/51/74/42/553517442.db2.gz IMBCDRGOYUHVKK-VQTJNVASSA-N 1 0 505.541 2.759 50 0 KFAARO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014532532 1059761453 /nfs/dbraw/zinc/76/14/53/1059761453.db2.gz FONFZSCSQHODKE-XZOQPEGZSA-N 1 0 501.631 2.986 50 0 KFAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014535929 553518129 /nfs/dbraw/zinc/51/81/29/553518129.db2.gz KCYYZNBYYUIFMA-IZZNHLLZSA-N 1 0 520.674 2.796 50 0 KFAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCNC(C)=O)C2)cc1OC ZINC000014542082 553518760 /nfs/dbraw/zinc/51/87/60/553518760.db2.gz WYGXBJFCQOIMKJ-BJKOFHAPSA-N 1 0 522.646 2.522 50 0 KFAARO COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)C[N@H+](Cc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000014733793 1059761535 /nfs/dbraw/zinc/76/15/35/1059761535.db2.gz IXLWXSNOMUGLJR-DNQXCXABSA-N 1 0 527.662 2.808 50 0 KFAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014740829 1059761667 /nfs/dbraw/zinc/76/16/67/1059761667.db2.gz NHRVFGLUBAXOFA-LOSJGSFVSA-N 1 0 526.678 2.763 50 0 KFAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCN3CCOCC3)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014747230 1059761285 /nfs/dbraw/zinc/76/12/85/1059761285.db2.gz HTBKVZSOJDRMDW-XZOQPEGZSA-N 1 0 515.626 2.808 50 0 KFAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCN3CCNC3=O)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014747524 553520362 /nfs/dbraw/zinc/52/03/62/553520362.db2.gz OVRRXXRLEVXBLU-LEWJYISDSA-N 1 0 514.598 2.501 50 0 KFAARO COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CC[NH+]([C@@H]5CCc6ccccc6C5)CC4)CC3)c2C1=O ZINC000014880667 553521095 /nfs/dbraw/zinc/52/10/95/553521095.db2.gz IKEIHOIPQMYZPH-RUZDIDTESA-N 1 0 530.669 2.847 50 0 KFAARO COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CC[NH+]([C@H]5CCc6ccccc6C5)CC4)CC3)c2C1=O ZINC000014880670 553521077 /nfs/dbraw/zinc/52/10/77/553521077.db2.gz IKEIHOIPQMYZPH-VWLOTQADSA-N 1 0 530.669 2.847 50 0 KFAARO COc1ccccc1CCC(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000014880811 1059464479 /nfs/dbraw/zinc/46/44/79/1059464479.db2.gz ZDQWYWMWEACQCK-VWLOTQADSA-N 1 0 508.663 2.561 50 0 KFAARO COc1ccccc1CCC(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000014880813 1059762577 /nfs/dbraw/zinc/76/25/77/1059762577.db2.gz ZDQWYWMWEACQCK-RUZDIDTESA-N 1 0 508.663 2.561 50 0 KFAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000014944165 553521902 /nfs/dbraw/zinc/52/19/02/553521902.db2.gz SIHWJLLANVMQEL-IQPSUQMJSA-N 1 0 509.562 2.812 50 0 KFAARO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000014952398 553522354 /nfs/dbraw/zinc/52/23/54/553522354.db2.gz PHEMDIODHYOAKH-KCWPFWIISA-N 1 0 501.631 2.925 50 0 KFAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3cc(C)ccc3C)C2)nn1 ZINC000014985969 1059762191 /nfs/dbraw/zinc/76/21/91/1059762191.db2.gz VROWEQXSEDCFQS-AHWVRZQESA-N 1 0 520.609 2.985 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014986804 1059464418 /nfs/dbraw/zinc/46/44/18/1059464418.db2.gz SSXYEFQLJORSLT-DEOSSOPVSA-N 1 0 517.630 2.889 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014986805 1059464454 /nfs/dbraw/zinc/46/44/54/1059464454.db2.gz SSXYEFQLJORSLT-XMMPIXPASA-N 1 0 517.630 2.889 50 0 KFAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000014997362 1059762420 /nfs/dbraw/zinc/76/24/20/1059762420.db2.gz LQBFJNNRZZSRAX-AHWVRZQESA-N 1 0 520.609 2.985 50 0 KFAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015276746 553530478 /nfs/dbraw/zinc/53/04/78/553530478.db2.gz HNCICGFNJFYBRP-IQPSUQMJSA-N 1 0 516.642 2.916 50 0 KFAARO CC1=C(C(=O)NCCC[N@@H+](C)C2CCCCC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731407 553535513 /nfs/dbraw/zinc/53/55/13/553535513.db2.gz CUWSOKOOJOACHL-UHFFFAOYSA-N 1 0 509.694 2.916 50 0 biogenic KFAARO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000015865904 553539246 /nfs/dbraw/zinc/53/92/46/553539246.db2.gz UGTIJCLPMIAZOC-HXUWFJFHSA-N 1 0 508.685 2.686 50 0 KFAARO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000015865905 553539238 /nfs/dbraw/zinc/53/92/38/553539238.db2.gz UGTIJCLPMIAZOC-FQEVSTJZSA-N 1 0 508.685 2.686 50 0 KFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)C1 ZINC000015894602 553540127 /nfs/dbraw/zinc/54/01/27/553540127.db2.gz DDVADWTYRSNOBF-PMACEKPBSA-N 1 0 522.737 2.784 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C(=O)CS3)CC1 ZINC000015895258 553540120 /nfs/dbraw/zinc/54/01/20/553540120.db2.gz ODPKPXADMKKELP-PMACEKPBSA-N 1 0 522.737 2.925 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C(=O)CS3)CC1 ZINC000015895262 553540088 /nfs/dbraw/zinc/54/00/88/553540088.db2.gz ODPKPXADMKKELP-BGYRXZFFSA-N 1 0 522.737 2.925 50 0 KFAARO CCCC[N@H+](CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O ZINC000015942150 553543405 /nfs/dbraw/zinc/54/34/05/553543405.db2.gz RXQFFAKAQPCYLE-QZTJIDSGSA-N 1 0 525.741 2.671 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)C(=O)CO3)CC1 ZINC000015943908 553543713 /nfs/dbraw/zinc/54/37/13/553543713.db2.gz SJSHWGRDOKRYTO-OYRHEFFESA-N 1 0 520.696 2.602 50 0 KFAARO CCn1cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000015951862 553545598 /nfs/dbraw/zinc/54/55/98/553545598.db2.gz OXBRXMHMHPSKEE-UHFFFAOYSA-N 1 0 534.723 2.776 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959053 553546570 /nfs/dbraw/zinc/54/65/70/553546570.db2.gz NQXYXVAEXIDYNG-QBMQIYCRSA-N 1 0 514.969 2.915 50 0 biogenic KFAARO Cc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968795 553547408 /nfs/dbraw/zinc/54/74/08/553547408.db2.gz LIAUUERUCMHZKT-CVRJGYJLSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968797 553547368 /nfs/dbraw/zinc/54/73/68/553547368.db2.gz LIAUUERUCMHZKT-PXMCIRSJSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968799 553547297 /nfs/dbraw/zinc/54/72/97/553547297.db2.gz LIAUUERUCMHZKT-XOSJJEKJSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968801 553547347 /nfs/dbraw/zinc/54/73/47/553547347.db2.gz LIAUUERUCMHZKT-KMGQHQDOSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969363 553547335 /nfs/dbraw/zinc/54/73/35/553547335.db2.gz UBEYPJWMLZAJLZ-ZUWWUPDZSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969365 553547259 /nfs/dbraw/zinc/54/72/59/553547259.db2.gz UBEYPJWMLZAJLZ-WENIATCFSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969366 553547305 /nfs/dbraw/zinc/54/73/05/553547305.db2.gz UBEYPJWMLZAJLZ-ZFASCNIYSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969368 553547403 /nfs/dbraw/zinc/54/74/03/553547403.db2.gz UBEYPJWMLZAJLZ-VXVLLVOOSA-N 1 0 511.534 2.593 50 0 biogenic KFAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971531 553547586 /nfs/dbraw/zinc/54/75/86/553547586.db2.gz DRZILLRKJDQDCB-UQBRPQJYSA-N 1 0 504.974 2.963 50 0 KFAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971534 553547598 /nfs/dbraw/zinc/54/75/98/553547598.db2.gz DRZILLRKJDQDCB-SARUBHRKSA-N 1 0 504.974 2.963 50 0 KFAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971644 553547542 /nfs/dbraw/zinc/54/75/42/553547542.db2.gz QKLUCXMJAOUBOR-OORKQQFGSA-N 1 0 504.974 2.963 50 0 KFAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971648 553547564 /nfs/dbraw/zinc/54/75/64/553547564.db2.gz QKLUCXMJAOUBOR-OKHYVKGCSA-N 1 0 504.974 2.963 50 0 KFAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009806 553550459 /nfs/dbraw/zinc/55/04/59/553550459.db2.gz OKVIFIZETMQGRF-FFUSMKSVSA-N 1 0 502.958 2.992 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009807 553550529 /nfs/dbraw/zinc/55/05/29/553550529.db2.gz OKVIFIZETMQGRF-JZBASNBKSA-N 1 0 502.958 2.992 50 0 KFAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009808 553550512 /nfs/dbraw/zinc/55/05/12/553550512.db2.gz OKVIFIZETMQGRF-YUGFUXRRSA-N 1 0 502.958 2.992 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009809 553550478 /nfs/dbraw/zinc/55/04/78/553550478.db2.gz OKVIFIZETMQGRF-JXPGZLFOSA-N 1 0 502.958 2.992 50 0 KFAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 ZINC000016010288 553550718 /nfs/dbraw/zinc/55/07/18/553550718.db2.gz RCYUEQQSQCSCIV-XCLQVSSVSA-N 1 0 506.868 2.549 50 0 KFAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010392 553550694 /nfs/dbraw/zinc/55/06/94/553550694.db2.gz OPQHQZAYMBZLGC-XQNUDUSMSA-N 1 0 505.333 2.631 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010393 553550699 /nfs/dbraw/zinc/55/06/99/553550699.db2.gz OPQHQZAYMBZLGC-XITLKHQFSA-N 1 0 505.333 2.631 50 0 KFAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010394 553550613 /nfs/dbraw/zinc/55/06/13/553550613.db2.gz OPQHQZAYMBZLGC-SAQZZPNQSA-N 1 0 505.333 2.631 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010395 553550688 /nfs/dbraw/zinc/55/06/88/553550688.db2.gz OPQHQZAYMBZLGC-VGHKVXAASA-N 1 0 505.333 2.631 50 0 KFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@@]32c3ccccc3NC2=O)cc1OC ZINC000016032891 553551627 /nfs/dbraw/zinc/55/16/27/553551627.db2.gz FJQUVEKSRKZKKH-QXQHHZKDSA-N 1 0 511.578 2.910 50 0 biogenic KFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016033886 553551729 /nfs/dbraw/zinc/55/17/29/553551729.db2.gz HBPDCJCYTCWGJM-DFIMXKNXSA-N 1 0 515.497 2.624 50 0 KFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016033887 553551736 /nfs/dbraw/zinc/55/17/36/553551736.db2.gz HBPDCJCYTCWGJM-IMBSWCNGSA-N 1 0 515.497 2.624 50 0 KFAARO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCC(N)=O ZINC000016688327 553572820 /nfs/dbraw/zinc/57/28/20/553572820.db2.gz AECHNZJUXNTTBV-UHFFFAOYSA-N 1 0 521.441 2.960 50 0 KFAARO Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)[nH+]1 ZINC000017012752 553586230 /nfs/dbraw/zinc/58/62/30/553586230.db2.gz JJUADLSRXFURKM-UHFFFAOYSA-N 1 0 513.405 2.501 50 0 KFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)[nH+]1 ZINC000017012787 553586253 /nfs/dbraw/zinc/58/62/53/553586253.db2.gz HKDXYQUFPHSLST-UHFFFAOYSA-N 1 0 508.648 2.840 50 0 KFAARO COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)c1 ZINC000017434265 553596242 /nfs/dbraw/zinc/59/62/42/553596242.db2.gz HPLVXXUHKXFWSA-UHFFFAOYSA-N 1 0 569.662 2.981 50 0 KFAARO COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000017434276 553596215 /nfs/dbraw/zinc/59/62/15/553596215.db2.gz HSNZDRXJBZPSMP-UHFFFAOYSA-N 1 0 597.672 2.759 50 0 KFAARO Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)n[nH]1 ZINC000017434286 553596176 /nfs/dbraw/zinc/59/61/76/553596176.db2.gz FNPDABSJSCYSGE-UHFFFAOYSA-N 1 0 571.682 2.785 50 0 KFAARO CCCCOc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000019703068 553615406 /nfs/dbraw/zinc/61/54/06/553615406.db2.gz VRNXGQMGKDFBPY-YADHBBJMSA-N 1 0 520.630 2.726 50 0 biogenic KFAARO COc1ccc(CCNC(=O)c2c(N)n(CCC[NH+]3CCOCC3)c3nc4ccccc4nc32)cc1OC ZINC000019892025 553630365 /nfs/dbraw/zinc/63/03/65/553630365.db2.gz DFLNBVINZFRYEA-UHFFFAOYSA-N 1 0 518.618 2.879 50 0 KFAARO COC(=O)C1=C(C(=O)OC)[C@H]2c3cccc4cccc(c34)[C@@]2([NH+]2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923652 553633820 /nfs/dbraw/zinc/63/38/20/553633820.db2.gz LPTCPUXFVDNFRI-DFHRPNOPSA-N 1 0 505.523 2.527 50 0 KFAARO COC(=O)C1=C(C(=O)OC)[C@H]2c3cccc4cccc(c34)[C@]2([NH+]2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923654 553633642 /nfs/dbraw/zinc/63/36/42/553633642.db2.gz LPTCPUXFVDNFRI-SKCUWOTOSA-N 1 0 505.523 2.527 50 0 KFAARO COC(=O)C1=C(C(=O)OC)[C@@H]2c3cccc4cccc(c34)[C@@]2([NH+]2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923655 553633726 /nfs/dbraw/zinc/63/37/26/553633726.db2.gz LPTCPUXFVDNFRI-DWACAAAGSA-N 1 0 505.523 2.527 50 0 KFAARO COC(=O)C1=C(C(=O)OC)[C@@H]2c3cccc4cccc(c34)[C@]2([NH+]2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923657 553633701 /nfs/dbraw/zinc/63/37/01/553633701.db2.gz LPTCPUXFVDNFRI-RBISFHTESA-N 1 0 505.523 2.527 50 0 KFAARO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000020101049 553686782 /nfs/dbraw/zinc/68/67/82/553686782.db2.gz ZINAETCSVXPFAU-MHZLTWQESA-N 1 0 525.653 2.749 50 0 KFAARO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000020101051 553686714 /nfs/dbraw/zinc/68/67/14/553686714.db2.gz ZINAETCSVXPFAU-HHHXNRCGSA-N 1 0 525.653 2.749 50 0 KFAARO CC[N@H+](CCCNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Cc1ccccc1 ZINC000020103598 553687958 /nfs/dbraw/zinc/68/79/58/553687958.db2.gz HBNIJXJVMPEPFC-UHFFFAOYSA-N 1 0 509.676 2.872 50 0 KFAARO CCOC(=O)N1CCC(NC(=O)CCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1 ZINC000020104986 553689426 /nfs/dbraw/zinc/68/94/26/553689426.db2.gz PFIGJTLVYACKQU-UHFFFAOYSA-N 1 0 510.639 2.751 50 0 KFAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020107932 553690879 /nfs/dbraw/zinc/69/08/79/553690879.db2.gz NGVJDAVWBXVOHG-HSZRJFAPSA-N 1 0 513.639 2.803 50 0 KFAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020107934 553690946 /nfs/dbraw/zinc/69/09/46/553690946.db2.gz NGVJDAVWBXVOHG-QHCPKHFHSA-N 1 0 513.639 2.803 50 0 KFAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC1(Cc3ccc4c(c3)OCO4)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000020112569 553694522 /nfs/dbraw/zinc/69/45/22/553694522.db2.gz GGZWSPXTROUOQT-INIZCTEOSA-N 1 0 509.559 2.631 50 0 biogenic KFAARO CN1C(=O)N(C)C(=O)C(Cc2ccc(Cl)cc2Cl)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000020112721 553694821 /nfs/dbraw/zinc/69/48/21/553694821.db2.gz TULKGAVHWHJZEL-DOTOQJQBSA-N 1 0 517.413 2.854 50 0 biogenic KFAARO CN1C(=O)C(Cc2cccc3ccccc32)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C1=S ZINC000020112785 553694795 /nfs/dbraw/zinc/69/47/95/553694795.db2.gz XGVAPKLTYQWYPJ-KNQAVFIVSA-N 1 0 514.651 2.865 50 0 biogenic KFAARO COc1ccc(CC2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1 ZINC000020112863 553694780 /nfs/dbraw/zinc/69/47/80/553694780.db2.gz LEIMFVQXZBMINP-KRWDZBQOSA-N 1 0 525.602 2.920 50 0 biogenic KFAARO COc1ccc(CC2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000020112939 553694864 /nfs/dbraw/zinc/69/48/64/553694864.db2.gz CAKBSYKCLKGCOG-KRWDZBQOSA-N 1 0 525.602 2.920 50 0 biogenic KFAARO CN1C(=O)N(C)C(=O)C(Cc2c(Cl)cccc2Cl)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000020112949 553694792 /nfs/dbraw/zinc/69/47/92/553694792.db2.gz HSWLJIAFHIOTFA-JKSUJKDBSA-N 1 0 517.413 2.854 50 0 biogenic KFAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3CC[NH+](C)CC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113649 553695389 /nfs/dbraw/zinc/69/53/89/553695389.db2.gz OXNYDZYEOKDTOF-CUBQBAPOSA-N 1 0 524.662 2.950 50 0 KFAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3CC[NH+](C)CC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113651 553695363 /nfs/dbraw/zinc/69/53/63/553695363.db2.gz OXNYDZYEOKDTOF-RBJSKKJNSA-N 1 0 524.662 2.950 50 0 KFAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113654 553695436 /nfs/dbraw/zinc/69/54/36/553695436.db2.gz OXNYDZYEOKDTOF-YWEHKCAJSA-N 1 0 524.662 2.950 50 0 KFAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113657 553695339 /nfs/dbraw/zinc/69/53/39/553695339.db2.gz OXNYDZYEOKDTOF-UFHPHHKVSA-N 1 0 524.662 2.950 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020114206 553695785 /nfs/dbraw/zinc/69/57/85/553695785.db2.gz GEIAAXBZGFLHJR-BJKOFHAPSA-N 1 0 500.665 2.820 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020114209 553695770 /nfs/dbraw/zinc/69/57/70/553695770.db2.gz GEIAAXBZGFLHJR-DNQXCXABSA-N 1 0 500.665 2.820 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020114211 553695778 /nfs/dbraw/zinc/69/57/78/553695778.db2.gz GEIAAXBZGFLHJR-ZEQRLZLVSA-N 1 0 500.665 2.820 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020114213 553695753 /nfs/dbraw/zinc/69/57/53/553695753.db2.gz GEIAAXBZGFLHJR-RPWUZVMVSA-N 1 0 500.665 2.820 50 0 KFAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000020114964 553696011 /nfs/dbraw/zinc/69/60/11/553696011.db2.gz KISWCPWSLSHRLK-DEOSSOPVSA-N 1 0 525.675 2.672 50 0 KFAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000020114966 553696031 /nfs/dbraw/zinc/69/60/31/553696031.db2.gz KISWCPWSLSHRLK-XMMPIXPASA-N 1 0 525.675 2.672 50 0 KFAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114968 553696319 /nfs/dbraw/zinc/69/63/19/553696319.db2.gz AVVJSQWPUVGZRA-XMMPIXPASA-N 1 0 525.675 2.672 50 0 KFAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114970 553696331 /nfs/dbraw/zinc/69/63/31/553696331.db2.gz AVVJSQWPUVGZRA-DEOSSOPVSA-N 1 0 525.675 2.672 50 0 KFAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114980 553696356 /nfs/dbraw/zinc/69/63/56/553696356.db2.gz SGNCCBUXLISCRV-HSZRJFAPSA-N 1 0 513.639 2.803 50 0 KFAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114982 553696396 /nfs/dbraw/zinc/69/63/96/553696396.db2.gz SGNCCBUXLISCRV-QHCPKHFHSA-N 1 0 513.639 2.803 50 0 KFAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000020115000 553696303 /nfs/dbraw/zinc/69/63/03/553696303.db2.gz PMTJZBUIEGECBA-DEOSSOPVSA-N 1 0 509.676 2.972 50 0 KFAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000020115002 553696312 /nfs/dbraw/zinc/69/63/12/553696312.db2.gz PMTJZBUIEGECBA-XMMPIXPASA-N 1 0 509.676 2.972 50 0 KFAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000020115008 553696388 /nfs/dbraw/zinc/69/63/88/553696388.db2.gz YMJKRMSBQSECRR-OAQYLSRUSA-N 1 0 516.067 2.927 50 0 KFAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000020115010 553696266 /nfs/dbraw/zinc/69/62/66/553696266.db2.gz YMJKRMSBQSECRR-NRFANRHFSA-N 1 0 516.067 2.927 50 0 KFAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115144 553696581 /nfs/dbraw/zinc/69/65/81/553696581.db2.gz JNFLCFVHDNCNFG-DEOSSOPVSA-N 1 0 525.675 2.672 50 0 KFAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115146 553696655 /nfs/dbraw/zinc/69/66/55/553696655.db2.gz JNFLCFVHDNCNFG-XMMPIXPASA-N 1 0 525.675 2.672 50 0 KFAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115149 553696635 /nfs/dbraw/zinc/69/66/35/553696635.db2.gz BURCQCXDQAIDTI-DEOSSOPVSA-N 1 0 509.676 2.972 50 0 KFAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115151 553696588 /nfs/dbraw/zinc/69/65/88/553696588.db2.gz BURCQCXDQAIDTI-XMMPIXPASA-N 1 0 509.676 2.972 50 0 KFAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115153 553696540 /nfs/dbraw/zinc/69/65/40/553696540.db2.gz OWYZHZVPZBXBSP-QHCPKHFHSA-N 1 0 513.639 2.803 50 0 KFAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115155 553696681 /nfs/dbraw/zinc/69/66/81/553696681.db2.gz OWYZHZVPZBXBSP-HSZRJFAPSA-N 1 0 513.639 2.803 50 0 KFAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115180 553696844 /nfs/dbraw/zinc/69/68/44/553696844.db2.gz RSHBBLWDKPHVEE-DEOSSOPVSA-N 1 0 525.675 2.672 50 0 KFAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000020115182 553696826 /nfs/dbraw/zinc/69/68/26/553696826.db2.gz RSHBBLWDKPHVEE-XMMPIXPASA-N 1 0 525.675 2.672 50 0 KFAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020115187 553696905 /nfs/dbraw/zinc/69/69/05/553696905.db2.gz XUWSBUCHXYQOLB-JOCHJYFZSA-N 1 0 516.067 2.927 50 0 KFAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020115189 553696920 /nfs/dbraw/zinc/69/69/20/553696920.db2.gz XUWSBUCHXYQOLB-QFIPXVFZSA-N 1 0 516.067 2.927 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000020116948 553697646 /nfs/dbraw/zinc/69/76/46/553697646.db2.gz AMBIBTPTGHZZAU-RTBURBONSA-N 1 0 537.752 2.815 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000020116952 553697650 /nfs/dbraw/zinc/69/76/50/553697650.db2.gz AMBIBTPTGHZZAU-OALUTQOASA-N 1 0 537.752 2.815 50 0 KFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NC[C@@H]3COc4ccccc4O3)cc12 ZINC000020136234 553593794 /nfs/dbraw/zinc/59/37/94/553593794.db2.gz AAAFXWRDTBPZSH-OAQYLSRUSA-N 1 0 503.603 2.970 50 0 KFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NC[C@H]3COc4ccccc4O3)cc12 ZINC000020136240 553593956 /nfs/dbraw/zinc/59/39/56/553593956.db2.gz AAAFXWRDTBPZSH-NRFANRHFSA-N 1 0 503.603 2.970 50 0 KFAARO COc1cc(Cc2nnc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)o2)cc(OC)c1OC ZINC000020177306 553602638 /nfs/dbraw/zinc/60/26/38/553602638.db2.gz ALTHZMYJTBKZQF-UHFFFAOYSA-N 1 0 509.607 2.624 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000020208954 553609761 /nfs/dbraw/zinc/60/97/61/553609761.db2.gz QVYCFLCUTNYSHA-RRPNLBNLSA-N 1 0 506.647 2.684 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000020208958 553609788 /nfs/dbraw/zinc/60/97/88/553609788.db2.gz QVYCFLCUTNYSHA-KAYWLYCHSA-N 1 0 506.647 2.684 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000020208962 553609831 /nfs/dbraw/zinc/60/98/31/553609831.db2.gz QVYCFLCUTNYSHA-SVBPBHIXSA-N 1 0 506.647 2.684 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000020208964 553609911 /nfs/dbraw/zinc/60/99/11/553609911.db2.gz QVYCFLCUTNYSHA-SXOMAYOGSA-N 1 0 506.647 2.684 50 0 KFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020211540 553610860 /nfs/dbraw/zinc/61/08/60/553610860.db2.gz KBUGKDXZPDOXAO-UHFFFAOYSA-N 1 0 535.714 2.960 50 0 KFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020211547 553610874 /nfs/dbraw/zinc/61/08/74/553610874.db2.gz LGZORRVCPCSQCO-UHFFFAOYSA-N 1 0 521.687 2.570 50 0 KFAARO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)ccc21 ZINC000020232061 553617757 /nfs/dbraw/zinc/61/77/57/553617757.db2.gz WXEXWVZWHYDBQZ-AREMUKBSSA-N 1 0 512.676 2.679 50 0 KFAARO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)ccc21 ZINC000020232066 553617640 /nfs/dbraw/zinc/61/76/40/553617640.db2.gz WXEXWVZWHYDBQZ-SANMLTNESA-N 1 0 512.676 2.679 50 0 KFAARO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)C(C)C)ccc21 ZINC000020232150 553617997 /nfs/dbraw/zinc/61/79/97/553617997.db2.gz TVNLLKJLSDTENR-RUZDIDTESA-N 1 0 500.665 2.537 50 0 KFAARO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)C(C)C)ccc21 ZINC000020232155 553618082 /nfs/dbraw/zinc/61/80/82/553618082.db2.gz TVNLLKJLSDTENR-VWLOTQADSA-N 1 0 500.665 2.537 50 0 KFAARO CC[N@H+](CCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C)Cc1ccccc1 ZINC000020232170 553617984 /nfs/dbraw/zinc/61/79/84/553617984.db2.gz FRYCSAVUFLQGDY-SANMLTNESA-N 1 0 514.692 2.927 50 0 KFAARO CC[N@H+](CCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C)Cc1ccccc1 ZINC000020232175 553618108 /nfs/dbraw/zinc/61/81/08/553618108.db2.gz FRYCSAVUFLQGDY-AREMUKBSSA-N 1 0 514.692 2.927 50 0 KFAARO CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C(C)C)ccc21 ZINC000020234341 553620252 /nfs/dbraw/zinc/62/02/52/553620252.db2.gz YFLUMMCKCOPSMP-VWLOTQADSA-N 1 0 504.697 2.766 50 0 KFAARO CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C(C)C)ccc21 ZINC000020234346 553620224 /nfs/dbraw/zinc/62/02/24/553620224.db2.gz YFLUMMCKCOPSMP-RUZDIDTESA-N 1 0 504.697 2.766 50 0 KFAARO COc1ccc(N(CC(=O)N2CC[NH+](C3CCCCC3)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239866 553626176 /nfs/dbraw/zinc/62/61/76/553626176.db2.gz SLUSJBROHFGQBU-UHFFFAOYSA-N 1 0 503.669 2.718 50 0 KFAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281554 553631301 /nfs/dbraw/zinc/63/13/01/553631301.db2.gz GWFKZHVEROFFKU-QFIPXVFZSA-N 1 0 513.689 2.915 50 0 KFAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281558 553631295 /nfs/dbraw/zinc/63/12/95/553631295.db2.gz GWFKZHVEROFFKU-JOCHJYFZSA-N 1 0 513.689 2.915 50 0 KFAARO Cc1nc2c(c(C)c1CCC(=O)NCC1CC[NH+](Cc3cccc(Cl)c3)CC1)c(=O)n(C)c(=O)n2C ZINC000020284109 553631946 /nfs/dbraw/zinc/63/19/46/553631946.db2.gz NEBIMWRPBRSVRY-UHFFFAOYSA-N 1 0 512.054 2.863 50 0 KFAARO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CC[NH+](C2CCCC2)CC1 ZINC000020286514 553632410 /nfs/dbraw/zinc/63/24/10/553632410.db2.gz LJAVOBJVMINSLC-VWLOTQADSA-N 1 0 510.660 2.548 50 0 KFAARO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CC[NH+](C2CCCC2)CC1 ZINC000020286519 553632437 /nfs/dbraw/zinc/63/24/37/553632437.db2.gz LJAVOBJVMINSLC-RUZDIDTESA-N 1 0 510.660 2.548 50 0 KFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 ZINC000020289587 553634749 /nfs/dbraw/zinc/63/47/49/553634749.db2.gz YKSZQKMGCLKIQI-GBXCKJPGSA-N 1 0 501.697 2.583 50 0 KFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 ZINC000020289590 553634756 /nfs/dbraw/zinc/63/47/56/553634756.db2.gz YKSZQKMGCLKIQI-HYBUGGRVSA-N 1 0 501.697 2.583 50 0 KFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 ZINC000020289593 553634685 /nfs/dbraw/zinc/63/46/85/553634685.db2.gz YKSZQKMGCLKIQI-RDPSFJRHSA-N 1 0 501.697 2.583 50 0 KFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2OC)CC1 ZINC000020289596 553634644 /nfs/dbraw/zinc/63/46/44/553634644.db2.gz YKSZQKMGCLKIQI-YKSBVNFPSA-N 1 0 501.697 2.583 50 0 KFAARO Cn1c2nc(CN3CC[NH+](Cc4ccccc4)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000020290422 553634911 /nfs/dbraw/zinc/63/49/11/553634911.db2.gz IQWMLAZXMZSCNL-UHFFFAOYSA-N 1 0 508.626 2.953 50 0 KFAARO Cn1c2nc(CN3CC[NH+](Cc4ccccc4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000020292433 553635340 /nfs/dbraw/zinc/63/53/40/553635340.db2.gz CTUGWTCIGVXHLS-UHFFFAOYSA-N 1 0 511.001 2.592 50 0 KFAARO COc1ccc(OC)c(CC2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000020411317 553646253 /nfs/dbraw/zinc/64/62/53/553646253.db2.gz ZQYGKNADTJXYOA-KRWDZBQOSA-N 1 0 525.602 2.920 50 0 biogenic KFAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1F ZINC000020438573 553648928 /nfs/dbraw/zinc/64/89/28/553648928.db2.gz PHGIMDYOBDISSR-QJOMJCCJSA-N 1 0 529.638 2.664 50 0 KFAARO Cn1nnc2c1nc(Cc1ccc(Cl)cc1Cl)nc2N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000020444085 553649567 /nfs/dbraw/zinc/64/95/67/553649567.db2.gz VUALLWJXYYPLJD-UHFFFAOYSA-N 1 0 503.438 2.966 50 0 KFAARO CS(=O)(=O)CC[C@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531496 553669918 /nfs/dbraw/zinc/66/99/18/553669918.db2.gz RHTCDJUHSROWSP-AREMUKBSSA-N 1 0 511.688 2.907 50 0 KFAARO CS(=O)(=O)CC[C@@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531497 553669838 /nfs/dbraw/zinc/66/98/38/553669838.db2.gz RHTCDJUHSROWSP-SANMLTNESA-N 1 0 511.688 2.907 50 0 KFAARO CS(=O)(=O)CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1)N1Cc2ccccc2C1=O ZINC000020531512 553669906 /nfs/dbraw/zinc/66/99/06/553669906.db2.gz LHWSWLHRVYQBLR-XMMPIXPASA-N 1 0 501.624 2.613 50 0 KFAARO CS(=O)(=O)CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1)N1Cc2ccccc2C1=O ZINC000020531513 553669926 /nfs/dbraw/zinc/66/99/26/553669926.db2.gz LHWSWLHRVYQBLR-DEOSSOPVSA-N 1 0 501.624 2.613 50 0 KFAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cc2C[C@H]1C ZINC000020532875 553670298 /nfs/dbraw/zinc/67/02/98/553670298.db2.gz JFWIYRDYDHOFIX-HXUWFJFHSA-N 1 0 516.708 2.862 50 0 KFAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cc2C[C@@H]1C ZINC000020532876 553670305 /nfs/dbraw/zinc/67/03/05/553670305.db2.gz JFWIYRDYDHOFIX-FQEVSTJZSA-N 1 0 516.708 2.862 50 0 KFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000020533442 553670749 /nfs/dbraw/zinc/67/07/49/553670749.db2.gz HBPDCJCYTCWGJM-QUIZSENMSA-N 1 0 515.497 2.624 50 0 KFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000020533443 553670911 /nfs/dbraw/zinc/67/09/11/553670911.db2.gz HBPDCJCYTCWGJM-NLJXWPIHSA-N 1 0 515.497 2.624 50 0 KFAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020567759 553673591 /nfs/dbraw/zinc/67/35/91/553673591.db2.gz DRZILLRKJDQDCB-FBTAJULRSA-N 1 0 504.974 2.963 50 0 KFAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020567760 553673680 /nfs/dbraw/zinc/67/36/80/553673680.db2.gz DRZILLRKJDQDCB-KXFRMMEESA-N 1 0 504.974 2.963 50 0 KFAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020567768 553673596 /nfs/dbraw/zinc/67/35/96/553673596.db2.gz QKLUCXMJAOUBOR-ZUVWJWHDSA-N 1 0 504.974 2.963 50 0 KFAARO COc1ccc(-n2ncc(C(=O)NCCN3CC[NH+](C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020576009 553675702 /nfs/dbraw/zinc/67/57/02/553675702.db2.gz NJMAREMIYUCFHM-UHFFFAOYSA-N 1 0 526.682 2.973 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)CCC(=O)Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)CC1 ZINC000020617713 553680682 /nfs/dbraw/zinc/68/06/82/553680682.db2.gz OJJNRHPTBQBUBL-UHFFFAOYSA-N 1 0 527.647 2.788 50 0 KFAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2 ZINC000020680416 553687982 /nfs/dbraw/zinc/68/79/82/553687982.db2.gz KNWZFXQAKZLWRF-QFIPXVFZSA-N 1 0 505.040 2.903 50 0 KFAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2 ZINC000020680420 553688021 /nfs/dbraw/zinc/68/80/21/553688021.db2.gz KNWZFXQAKZLWRF-JOCHJYFZSA-N 1 0 505.040 2.903 50 0 KFAARO O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020682870 553688231 /nfs/dbraw/zinc/68/82/31/553688231.db2.gz IVTOATIZOQWGOM-MHZLTWQESA-N 1 0 500.647 2.728 50 0 KFAARO O=C(C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020682878 553688202 /nfs/dbraw/zinc/68/82/02/553688202.db2.gz IVTOATIZOQWGOM-HHHXNRCGSA-N 1 0 500.647 2.728 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[N@H+](C)Cc2ccccc2)C(=O)CS3)CC1 ZINC000020687458 553689376 /nfs/dbraw/zinc/68/93/76/553689376.db2.gz CNBMLQGEUXOUMQ-UHFFFAOYSA-N 1 0 530.716 2.794 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)C(=O)CS3)CC1 ZINC000020687489 553689570 /nfs/dbraw/zinc/68/95/70/553689570.db2.gz QYSQSLZFKNNTDA-LJQANCHMSA-N 1 0 508.710 2.537 50 0 KFAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+](CC(C)C)CC(C)C)C(=O)CO2 ZINC000020737921 553694830 /nfs/dbraw/zinc/69/48/30/553694830.db2.gz WTDRFFRGRGVQHM-UHFFFAOYSA-N 1 0 510.701 2.563 50 0 KFAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000020760220 553695553 /nfs/dbraw/zinc/69/55/53/553695553.db2.gz SRPKHADSZZCNPJ-UHFFFAOYSA-N 1 0 511.648 2.694 50 0 KFAARO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)C3)n2)cc1 ZINC000020924195 553704431 /nfs/dbraw/zinc/70/44/31/553704431.db2.gz VVFJXRMFZBIGNL-XMMPIXPASA-N 1 0 504.635 2.896 50 0 KFAARO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)C3)n2)cc1 ZINC000020924202 553704415 /nfs/dbraw/zinc/70/44/15/553704415.db2.gz VVFJXRMFZBIGNL-DEOSSOPVSA-N 1 0 504.635 2.896 50 0 KFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)nc(C)n3n2)cc1 ZINC000021017918 553705610 /nfs/dbraw/zinc/70/56/10/553705610.db2.gz ZCYINPMXTSOJHB-UHFFFAOYSA-N 1 0 527.673 2.753 50 0 KFAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@@H+]4CCc5ccccc5C4)C3)ccc21 ZINC000021114221 553706730 /nfs/dbraw/zinc/70/67/30/553706730.db2.gz IHXCKXFGJQUUPE-RUZDIDTESA-N 1 0 524.687 2.561 50 0 KFAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+]4CCc5ccccc5C4)C3)ccc21 ZINC000021114228 553706826 /nfs/dbraw/zinc/70/68/26/553706826.db2.gz IHXCKXFGJQUUPE-VWLOTQADSA-N 1 0 524.687 2.561 50 0 KFAARO CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000021116469 553707037 /nfs/dbraw/zinc/70/70/37/553707037.db2.gz QJERNDJEROHJKU-OAQYLSRUSA-N 1 0 522.712 2.696 50 0 KFAARO CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000021116473 553707084 /nfs/dbraw/zinc/70/70/84/553707084.db2.gz QJERNDJEROHJKU-NRFANRHFSA-N 1 0 522.712 2.696 50 0 KFAARO CN1C(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876676 553719196 /nfs/dbraw/zinc/71/91/96/553719196.db2.gz ARSPBYRDVKAELX-LJAQVGFWSA-N 1 0 532.620 2.577 50 0 KFAARO CN1C(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876679 553719243 /nfs/dbraw/zinc/71/92/43/553719243.db2.gz ARSPBYRDVKAELX-GDLZYMKVSA-N 1 0 532.620 2.577 50 0 KFAARO CCN1C(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877493 553719438 /nfs/dbraw/zinc/71/94/38/553719438.db2.gz MIMIZUDPALNQSD-NDEPHWFRSA-N 1 0 506.651 2.571 50 0 KFAARO CCN1C(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877495 553719333 /nfs/dbraw/zinc/71/93/33/553719333.db2.gz MIMIZUDPALNQSD-MUUNZHRXSA-N 1 0 506.651 2.571 50 0 KFAARO O=C(C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000021882863 553720835 /nfs/dbraw/zinc/72/08/35/553720835.db2.gz RKUUQOFSBSFCCE-UHFFFAOYSA-N 1 0 525.071 2.549 50 0 KFAARO COc1cc(COC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(OC)c1OC ZINC000022790379 553750163 /nfs/dbraw/zinc/75/01/63/553750163.db2.gz FAKLTZGUPWTPHU-HSZRJFAPSA-N 1 0 563.651 2.657 50 0 KFAARO COc1cc(COC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(OC)c1OC ZINC000022790384 553750202 /nfs/dbraw/zinc/75/02/02/553750202.db2.gz FAKLTZGUPWTPHU-QHCPKHFHSA-N 1 0 563.651 2.657 50 0 KFAARO COc1cc2c(c(OC)c1OC)-c1cc/c(=N\CCC[NH+]3CCN(C)CC3)c(O)cc1[C@H](NC(C)=O)CC2 ZINC000022802733 553750965 /nfs/dbraw/zinc/75/09/65/553750965.db2.gz TYYMEJIXYRBGGO-HSZRJFAPSA-N 1 0 524.662 2.747 50 0 KFAARO COc1cc2c(c(OC)c1OC)-c1cc/c(=N\CCC[NH+]3CCN(C)CC3)c(O)cc1[C@@H](NC(C)=O)CC2 ZINC000022802738 553751132 /nfs/dbraw/zinc/75/11/32/553751132.db2.gz TYYMEJIXYRBGGO-QHCPKHFHSA-N 1 0 524.662 2.747 50 0 biogenic KFAARO CCC[NH+]1CCC(N2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000023337833 1059014747 /nfs/dbraw/zinc/01/47/47/1059014747.db2.gz QCYDKUGUAFWLTG-GMAHTHKFSA-N 1 0 503.047 2.567 50 0 KFAARO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000025108255 553792886 /nfs/dbraw/zinc/79/28/86/553792886.db2.gz KYKALJDUMOLYGZ-GOSISDBHSA-N 1 0 506.470 2.687 50 0 KFAARO C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)c1ccccc1 ZINC000025395399 553807769 /nfs/dbraw/zinc/80/77/69/553807769.db2.gz SRDDOOLIBBRFAD-QFIPXVFZSA-N 1 0 507.056 2.664 50 0 KFAARO C[NH+](C)[C@H](CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)c1ccccc1 ZINC000025395406 553807800 /nfs/dbraw/zinc/80/78/00/553807800.db2.gz SRDDOOLIBBRFAD-JOCHJYFZSA-N 1 0 507.056 2.664 50 0 KFAARO COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026011092 1059075042 /nfs/dbraw/zinc/07/50/42/1059075042.db2.gz HYFHYPWGAURHIV-RZCBTRPQSA-N 1 0 545.629 2.581 50 0 KFAARO COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026011099 553814545 /nfs/dbraw/zinc/81/45/45/553814545.db2.gz HYFHYPWGAURHIV-JFIAXGOJSA-N 1 0 545.629 2.581 50 0 biogenic,fda KFAARO CN1C(=O)N(C)C(=O)C(Cc2ccc3c4c(cccc42)CC3)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000026730590 553820989 /nfs/dbraw/zinc/82/09/89/553820989.db2.gz TUJWZBDBYMMKKH-XXBNENTESA-N 1 0 524.621 2.799 50 0 biogenic KFAARO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000026771740 553820953 /nfs/dbraw/zinc/82/09/53/553820953.db2.gz KNXKVPINDROMLS-XXPWESIGSA-N 1 0 510.344 2.652 50 0 KFAARO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000026771741 553820796 /nfs/dbraw/zinc/82/07/96/553820796.db2.gz KNXKVPINDROMLS-MDTICMOCSA-N 1 0 510.344 2.652 50 0 biogenic KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCC(Cc4ccccc4)CC2)C(=O)CO3)CC1 ZINC000029748673 553849766 /nfs/dbraw/zinc/84/97/66/553849766.db2.gz YJAYAHSXPKMSND-UHFFFAOYSA-N 1 0 568.740 2.904 50 0 KFAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000029749032 553850762 /nfs/dbraw/zinc/85/07/62/553850762.db2.gz PJFQYXJEWPMYMV-KMGQHQDOSA-N 1 0 534.682 2.623 50 0 KFAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000029749223 553851295 /nfs/dbraw/zinc/85/12/95/553851295.db2.gz BIJLAWSFKZVCIL-UHFFFAOYSA-N 1 0 574.769 2.955 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752926 553854797 /nfs/dbraw/zinc/85/47/97/553854797.db2.gz JCNXHWYEHQYGIR-WUFINQPMSA-N 1 0 554.688 2.775 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752928 553854848 /nfs/dbraw/zinc/85/48/48/553854848.db2.gz JCNXHWYEHQYGIR-VSGBNLITSA-N 1 0 554.688 2.775 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752930 553854814 /nfs/dbraw/zinc/85/48/14/553854814.db2.gz JCNXHWYEHQYGIR-NSOVKSMOSA-N 1 0 554.688 2.775 50 0 KFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752932 553854738 /nfs/dbraw/zinc/85/47/38/553854738.db2.gz JCNXHWYEHQYGIR-IZLXSDGUSA-N 1 0 554.688 2.775 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000032958314 553881429 /nfs/dbraw/zinc/88/14/29/553881429.db2.gz MZBJWGPSRGYJTB-QFIPXVFZSA-N 1 0 510.635 2.805 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000032958315 553881401 /nfs/dbraw/zinc/88/14/01/553881401.db2.gz MZBJWGPSRGYJTB-JOCHJYFZSA-N 1 0 510.635 2.805 50 0 KFAARO CCOc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000032958318 553881396 /nfs/dbraw/zinc/88/13/96/553881396.db2.gz ULEVPZXSFJNLLR-UHFFFAOYSA-N 1 0 526.634 2.647 50 0 KFAARO O=C(C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000032958759 553881793 /nfs/dbraw/zinc/88/17/93/553881793.db2.gz VCZBPWOGKJJBSF-UHFFFAOYSA-N 1 0 525.071 2.549 50 0 KFAARO COc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[NH+]1CCCC1 ZINC000032983097 553884784 /nfs/dbraw/zinc/88/47/84/553884784.db2.gz JKDSZDNGMAXPQU-JOCHJYFZSA-N 1 0 508.040 2.936 50 0 KFAARO COc1ccccc1[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[NH+]1CCCC1 ZINC000032983098 553884732 /nfs/dbraw/zinc/88/47/32/553884732.db2.gz JKDSZDNGMAXPQU-QFIPXVFZSA-N 1 0 508.040 2.936 50 0 KFAARO O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NCC[NH+]1CCCC1 ZINC000033024907 553889867 /nfs/dbraw/zinc/88/98/67/553889867.db2.gz SMHYMDNKUADYNT-UHFFFAOYSA-N 1 0 505.044 2.898 50 0 KFAARO O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)NCC[NH+]1CCCC1 ZINC000033025073 553890409 /nfs/dbraw/zinc/89/04/09/553890409.db2.gz WBZXNUMSLZUZEC-UHFFFAOYSA-N 1 0 505.044 2.898 50 0 KFAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccc2)CC1 ZINC000033033027 553891860 /nfs/dbraw/zinc/89/18/60/553891860.db2.gz AISYMZGOBBYYMB-UHFFFAOYSA-N 1 0 505.644 2.859 50 0 KFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033252 553892173 /nfs/dbraw/zinc/89/21/73/553892173.db2.gz HBQQKPHHECDYEL-UHFFFAOYSA-N 1 0 502.637 2.786 50 0 KFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033255 553892020 /nfs/dbraw/zinc/89/20/20/553892020.db2.gz YRRRWNQYJBCXIK-UHFFFAOYSA-N 1 0 502.637 2.930 50 0 KFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@@H](C)C3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033266 553892150 /nfs/dbraw/zinc/89/21/50/553892150.db2.gz MZKRUCOHTFQWTQ-GOSISDBHSA-N 1 0 502.637 2.786 50 0 KFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033268 553892297 /nfs/dbraw/zinc/89/22/97/553892297.db2.gz MZKRUCOHTFQWTQ-SFHVURJKSA-N 1 0 502.637 2.786 50 0 KFAARO CCOC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033397 553892561 /nfs/dbraw/zinc/89/25/61/553892561.db2.gz APMKWYIKHSWOAZ-UHFFFAOYSA-N 1 0 502.637 2.656 50 0 KFAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033399 553892733 /nfs/dbraw/zinc/89/27/33/553892733.db2.gz WHRINEZLBFZIFU-UHFFFAOYSA-N 1 0 515.680 2.619 50 0 KFAARO CCN1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(CC(C)C)cc3)c2)CC1 ZINC000033033424 553892602 /nfs/dbraw/zinc/89/26/02/553892602.db2.gz WMLSCNGZAUVOKC-UHFFFAOYSA-N 1 0 513.708 2.873 50 0 KFAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000033058822 553903891 /nfs/dbraw/zinc/90/38/91/553903891.db2.gz GUAXSQSCBHILJE-MDZDMXLPSA-N 1 0 529.707 2.616 50 0 KFAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)ccc21 ZINC000033077500 553906372 /nfs/dbraw/zinc/90/63/72/553906372.db2.gz XMFQJDKSLBOCTF-UHFFFAOYSA-N 1 0 516.708 2.863 50 0 KFAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)ccc21 ZINC000033077503 553906358 /nfs/dbraw/zinc/90/63/58/553906358.db2.gz VFAGRAABZRANQZ-UHFFFAOYSA-N 1 0 516.708 2.863 50 0 KFAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCC[N@@H+]4CCc5ccccc5C4)CC3)ccc21 ZINC000033077513 553906720 /nfs/dbraw/zinc/90/67/20/553906720.db2.gz UJHAPINXVPMCTE-UHFFFAOYSA-N 1 0 524.687 2.561 50 0 KFAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)NC[C@@H]1CCCO1 ZINC000033356055 553938526 /nfs/dbraw/zinc/93/85/26/553938526.db2.gz XKNNHXRMWZICSH-LJAQVGFWSA-N 1 0 609.727 2.901 50 0 KFAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)NC[C@H]1CCCO1 ZINC000033356056 553938568 /nfs/dbraw/zinc/93/85/68/553938568.db2.gz XKNNHXRMWZICSH-GDLZYMKVSA-N 1 0 609.727 2.901 50 0 KFAARO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000033502341 1059453290 /nfs/dbraw/zinc/45/32/90/1059453290.db2.gz URASHEDMHKHLGE-GCFNWXKCSA-N 1 0 529.659 2.691 50 0 KFAARO COc1ccccc1[C@H](CNC(=O)/C=C\c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000033502343 1059453228 /nfs/dbraw/zinc/45/32/28/1059453228.db2.gz URASHEDMHKHLGE-CEGXDQTDSA-N 1 0 529.659 2.691 50 0 KFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000033709320 553969359 /nfs/dbraw/zinc/96/93/59/553969359.db2.gz PDPWOVMIOUFQPW-UHFFFAOYSA-N 1 0 520.428 2.615 50 0 KFAARO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(C[C@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000034677110 553983255 /nfs/dbraw/zinc/98/32/55/553983255.db2.gz CJHIRPPBWGBMIQ-OAQYLSRUSA-N 1 0 509.573 2.588 50 0 KFAARO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(C[C@@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000034677111 553983194 /nfs/dbraw/zinc/98/31/94/553983194.db2.gz CJHIRPPBWGBMIQ-NRFANRHFSA-N 1 0 509.573 2.588 50 0 KFAARO CN(C)c1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000034756696 553999375 /nfs/dbraw/zinc/99/93/75/553999375.db2.gz ZKUNCNZTIBHLKY-UHFFFAOYSA-N 1 0 502.660 2.883 50 0 KFAARO CN1C2=C(C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000034792857 554008297 /nfs/dbraw/zinc/00/82/97/554008297.db2.gz WAQKZCKLSKSPPV-VWLOTQADSA-N 1 0 508.022 2.913 50 0 KFAARO CN1C2=C(C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000034792859 554008344 /nfs/dbraw/zinc/00/83/44/554008344.db2.gz WAQKZCKLSKSPPV-RUZDIDTESA-N 1 0 508.022 2.913 50 0 KFAARO CCOC(=O)CCC(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1 ZINC000034834592 554018794 /nfs/dbraw/zinc/01/87/94/554018794.db2.gz YCZAADOGDBODAG-UHFFFAOYSA-N 1 0 503.619 2.780 50 0 KFAARO O=C(NCCCN1CCOCC1)C1CC[NH+](C2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000034912406 554029518 /nfs/dbraw/zinc/02/95/18/554029518.db2.gz YFBACRCADJDKFI-UHFFFAOYSA-N 1 0 521.500 2.604 50 0 KFAARO CN(C(=O)c1c(-c2ccccc2)n(Cc2cccs2)c(=O)n1CCN1CCOCC1)C1CC[NH+](C)CC1 ZINC000034924219 554032406 /nfs/dbraw/zinc/03/24/06/554032406.db2.gz MQZDMRNWBOKJSD-UHFFFAOYSA-N 1 0 523.703 2.925 50 0 KFAARO COc1ccc2ccccc2c1CC1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=O)N(C)C1=O ZINC000035361330 554044257 /nfs/dbraw/zinc/04/42/57/554044257.db2.gz UDKNBCJZDFZWCO-PZJWPPBQSA-N 1 0 528.609 2.709 50 0 biogenic KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C1)OCC(=O)N2 ZINC000035378890 554046287 /nfs/dbraw/zinc/04/62/87/554046287.db2.gz WXPCLWBETZIJOB-NRFANRHFSA-N 1 0 526.659 2.507 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C1)OCC(=O)N2 ZINC000035378891 554046281 /nfs/dbraw/zinc/04/62/81/554046281.db2.gz WXPCLWBETZIJOB-OAQYLSRUSA-N 1 0 526.659 2.507 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C1)OCC(=O)N2 ZINC000035378982 554046533 /nfs/dbraw/zinc/04/65/33/554046533.db2.gz FINUAUGWSQLHIH-FQEVSTJZSA-N 1 0 512.632 2.961 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C1)OCC(=O)N2 ZINC000035378983 554046601 /nfs/dbraw/zinc/04/66/01/554046601.db2.gz FINUAUGWSQLHIH-HXUWFJFHSA-N 1 0 512.632 2.961 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379102 554046585 /nfs/dbraw/zinc/04/65/85/554046585.db2.gz GQCUOHXKSVVZBF-UXHICEINSA-N 1 0 518.680 2.592 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379103 554046579 /nfs/dbraw/zinc/04/65/79/554046579.db2.gz GQCUOHXKSVVZBF-WOJBJXKFSA-N 1 0 518.680 2.592 50 0 KFAARO Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c1C(=O)N1CCCC1 ZINC000035481859 554056568 /nfs/dbraw/zinc/05/65/68/554056568.db2.gz FFUOKIRDVFYPEW-UHFFFAOYSA-N 1 0 533.739 2.745 50 0 KFAARO Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)c2)no1 ZINC000035557882 554060887 /nfs/dbraw/zinc/06/08/87/554060887.db2.gz OQDLFNVAFMKPJW-UHFFFAOYSA-N 1 0 507.682 2.984 50 0 KFAARO CC[C@H](C(=O)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926332 554099025 /nfs/dbraw/zinc/09/90/25/554099025.db2.gz GILKYJSVLSJEEB-MHZLTWQESA-N 1 0 514.674 2.930 50 0 KFAARO CC[C@@H](C(=O)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926333 554099091 /nfs/dbraw/zinc/09/90/91/554099091.db2.gz GILKYJSVLSJEEB-HHHXNRCGSA-N 1 0 514.674 2.930 50 0 KFAARO O=C(c1cccc(Cl)c1)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926343 554099122 /nfs/dbraw/zinc/09/91/22/554099122.db2.gz ZZKZPCCAGKMTCD-UHFFFAOYSA-N 1 0 507.038 2.704 50 0 KFAARO CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926578 554099890 /nfs/dbraw/zinc/09/98/90/554099890.db2.gz PZHGWIURKKKLOQ-RUZDIDTESA-N 1 0 508.711 2.995 50 0 KFAARO CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926579 554099963 /nfs/dbraw/zinc/09/99/63/554099963.db2.gz PZHGWIURKKKLOQ-VWLOTQADSA-N 1 0 508.711 2.995 50 0 KFAARO O=C(c1ccc(F)cc1)N1CCCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926591 554099923 /nfs/dbraw/zinc/09/99/23/554099923.db2.gz NJTPKTLYKYYQNK-UHFFFAOYSA-N 1 0 518.637 2.622 50 0 KFAARO O=C(C1CCCCC1)N1CCCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926595 554100049 /nfs/dbraw/zinc/10/00/49/554100049.db2.gz GHVOYMHBCQUWSQ-UHFFFAOYSA-N 1 0 506.695 2.749 50 0 KFAARO Cc1ccc(NC(=O)N2CCN(c3nc(CN4CC[NH+](CCc5ccccc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926767 554100429 /nfs/dbraw/zinc/10/04/29/554100429.db2.gz QMMHDDJGUIIFDF-UHFFFAOYSA-N 1 0 515.662 2.793 50 0 KFAARO COc1ccc(-c2nc(N3CCN(CC[NH+](C)C)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929269 554101696 /nfs/dbraw/zinc/10/16/96/554101696.db2.gz TYWYZSJMPBEBEX-UHFFFAOYSA-N 1 0 502.623 2.766 50 0 KFAARO C[NH+](C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981918 554118174 /nfs/dbraw/zinc/11/81/74/554118174.db2.gz MUUUKAMQTZJDOQ-QFIPXVFZSA-N 1 0 517.001 2.630 50 0 KFAARO C[NH+](C)CCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981919 554117991 /nfs/dbraw/zinc/11/79/91/554117991.db2.gz MUUUKAMQTZJDOQ-JOCHJYFZSA-N 1 0 517.001 2.630 50 0 KFAARO CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982028 554118550 /nfs/dbraw/zinc/11/85/50/554118550.db2.gz ZCKXNPPTHLIRSE-DEOSSOPVSA-N 1 0 510.610 2.539 50 0 KFAARO CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982029 554118575 /nfs/dbraw/zinc/11/85/75/554118575.db2.gz ZCKXNPPTHLIRSE-XMMPIXPASA-N 1 0 510.610 2.539 50 0 KFAARO C[NH+](C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989914 554122812 /nfs/dbraw/zinc/12/28/12/554122812.db2.gz NYYKNBWOEJMSIP-QFIPXVFZSA-N 1 0 517.001 2.630 50 0 KFAARO C[NH+](C)CCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989915 554123044 /nfs/dbraw/zinc/12/30/44/554123044.db2.gz NYYKNBWOEJMSIP-JOCHJYFZSA-N 1 0 517.001 2.630 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)C(C)C ZINC000036072868 554170670 /nfs/dbraw/zinc/17/06/70/554170670.db2.gz LRXCPDPRZGJQDC-UHFFFAOYSA-N 1 0 526.682 2.636 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)C1CCC1 ZINC000036072869 554170582 /nfs/dbraw/zinc/17/05/82/554170582.db2.gz MLYMBMLYDIWWBF-UHFFFAOYSA-N 1 0 538.693 2.780 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NC(C)C ZINC000036073010 554171154 /nfs/dbraw/zinc/17/11/54/554171154.db2.gz JYIVASLDGQQZCJ-UHFFFAOYSA-N 1 0 541.697 2.571 50 0 KFAARO COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC[NH+](C)C)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036073762 554171980 /nfs/dbraw/zinc/17/19/80/554171980.db2.gz VERINXOGJAGZFU-UHFFFAOYSA-N 1 0 516.646 2.895 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)C1CCC1 ZINC000036074026 554172533 /nfs/dbraw/zinc/17/25/33/554172533.db2.gz VWKVKCACYJMJFB-UHFFFAOYSA-N 1 0 508.667 2.771 50 0 KFAARO CCNC(=O)N(CC[NH+](CC)CC)CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1 ZINC000036074122 554173052 /nfs/dbraw/zinc/17/30/52/554173052.db2.gz IZURARMILYJVTC-UHFFFAOYSA-N 1 0 511.671 2.564 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)NC(C)C ZINC000036074123 554172945 /nfs/dbraw/zinc/17/29/45/554172945.db2.gz VIONGNLIPZEUCG-UHFFFAOYSA-N 1 0 525.698 2.953 50 0 KFAARO CCCNC(=O)N(CC[NH+](CC)CC)CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1 ZINC000036074124 554172998 /nfs/dbraw/zinc/17/29/98/554172998.db2.gz GXSXVFSQHPWACH-UHFFFAOYSA-N 1 0 525.698 2.954 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)NC(C)C ZINC000036074188 554173296 /nfs/dbraw/zinc/17/32/96/554173296.db2.gz ONGOTFYTPDCUGL-UHFFFAOYSA-N 1 0 511.671 2.563 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)COC ZINC000036082465 554174458 /nfs/dbraw/zinc/17/44/58/554174458.db2.gz ISCMUCULSVGRTQ-UHFFFAOYSA-N 1 0 517.074 2.653 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)C(C)C ZINC000036083291 554175106 /nfs/dbraw/zinc/17/51/06/554175106.db2.gz COSSRVNTKGNYFI-UHFFFAOYSA-N 1 0 526.682 2.636 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)NC(C)C ZINC000036083337 554175454 /nfs/dbraw/zinc/17/54/54/554175454.db2.gz VACIKMMRZQAVQA-UHFFFAOYSA-N 1 0 541.697 2.571 50 0 KFAARO CCCNC(=O)N(CC[NH+](CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1 ZINC000036083338 554175494 /nfs/dbraw/zinc/17/54/94/554175494.db2.gz UABWRSNXDXXATP-UHFFFAOYSA-N 1 0 541.697 2.573 50 0 KFAARO O[C@@H](Cc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249776 554210121 /nfs/dbraw/zinc/21/01/21/554210121.db2.gz XHFYKLOZENYMII-SANMLTNESA-N 1 0 506.647 2.916 50 0 KFAARO O[C@H](Cc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249777 554210096 /nfs/dbraw/zinc/21/00/96/554210096.db2.gz XHFYKLOZENYMII-AREMUKBSSA-N 1 0 506.647 2.916 50 0 KFAARO C[C@@H](C(=O)NCC[NH+]1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21 ZINC000037275082 554232781 /nfs/dbraw/zinc/23/27/81/554232781.db2.gz CIBKVOXPVCUZHB-KRWDZBQOSA-N 1 0 501.530 2.943 50 0 KFAARO C[C@H](C(=O)NCC[NH+]1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21 ZINC000037275085 554232738 /nfs/dbraw/zinc/23/27/38/554232738.db2.gz CIBKVOXPVCUZHB-QGZVFWFLSA-N 1 0 501.530 2.943 50 0 KFAARO COCC[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000037357639 554234766 /nfs/dbraw/zinc/23/47/66/554234766.db2.gz XFKUSZQXDPXVFH-UHFFFAOYSA-N 1 0 507.570 2.989 50 0 KFAARO COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3C)c1 ZINC000037425270 554244772 /nfs/dbraw/zinc/24/47/72/554244772.db2.gz ARCYSXRMCMFOSG-SANMLTNESA-N 1 0 523.659 2.951 50 0 KFAARO COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3C)c1 ZINC000037425272 554244752 /nfs/dbraw/zinc/24/47/52/554244752.db2.gz ARCYSXRMCMFOSG-AREMUKBSSA-N 1 0 523.659 2.951 50 0 KFAARO COc1ccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3C)cc1OC ZINC000037425448 554244690 /nfs/dbraw/zinc/24/46/90/554244690.db2.gz YPLNLARYKFFESF-JOCHJYFZSA-N 1 0 503.669 2.582 50 0 KFAARO COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3C)cc1OC ZINC000037425449 554244707 /nfs/dbraw/zinc/24/47/07/554244707.db2.gz YPLNLARYKFFESF-QFIPXVFZSA-N 1 0 503.669 2.582 50 0 KFAARO COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3C)cc1OC ZINC000037425542 554244951 /nfs/dbraw/zinc/24/49/51/554244951.db2.gz AZPSHRBZXKJSTC-SANMLTNESA-N 1 0 523.659 2.951 50 0 KFAARO COc1ccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3C)cc1OC ZINC000037425543 554245007 /nfs/dbraw/zinc/24/50/07/554245007.db2.gz AZPSHRBZXKJSTC-AREMUKBSSA-N 1 0 523.659 2.951 50 0 KFAARO CCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000037576408 554252247 /nfs/dbraw/zinc/25/22/47/554252247.db2.gz PPSNIYBOKXPMKH-UHFFFAOYSA-N 1 0 512.630 2.523 50 0 KFAARO CCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O ZINC000037577655 554252461 /nfs/dbraw/zinc/25/24/61/554252461.db2.gz KGVPXGWSWNWKRR-UHFFFAOYSA-N 1 0 508.667 2.692 50 0 KFAARO CCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O ZINC000037577708 554252518 /nfs/dbraw/zinc/25/25/18/554252518.db2.gz ZOPHOHZHZQUAJE-UHFFFAOYSA-N 1 0 508.667 2.692 50 0 KFAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000038139114 554259118 /nfs/dbraw/zinc/25/91/18/554259118.db2.gz XNOGXUIPFZDUPV-UHFFFAOYSA-N 1 0 532.644 2.644 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000038139413 554260339 /nfs/dbraw/zinc/26/03/39/554260339.db2.gz FHLPOAYUGKCAEE-LJQANCHMSA-N 1 0 537.082 2.909 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000038139414 554260470 /nfs/dbraw/zinc/26/04/70/554260470.db2.gz FHLPOAYUGKCAEE-IBGZPJMESA-N 1 0 537.082 2.909 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000038139737 554261196 /nfs/dbraw/zinc/26/11/96/554261196.db2.gz NOCXDAXQPPVTAZ-LJQANCHMSA-N 1 0 537.082 2.909 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000038139739 554261180 /nfs/dbraw/zinc/26/11/80/554261180.db2.gz NOCXDAXQPPVTAZ-IBGZPJMESA-N 1 0 537.082 2.909 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2cccc(OC)c2OC)CC1 ZINC000038140300 554262906 /nfs/dbraw/zinc/26/29/06/554262906.db2.gz OONQZXYQXLCQFH-DHZHZOJOSA-N 1 0 544.674 2.519 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(OC)cc2OC)CC1 ZINC000038140434 554263668 /nfs/dbraw/zinc/26/36/68/554263668.db2.gz ANVSBTBGCLEXLC-UXBLZVDNSA-N 1 0 544.674 2.519 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000038140767 554264149 /nfs/dbraw/zinc/26/41/49/554264149.db2.gz YSXIVJQZZJLGBE-UHFFFAOYSA-N 1 0 541.045 2.659 50 0 KFAARO CC[N@H+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)Cc1ccccc1 ZINC000038146948 554269835 /nfs/dbraw/zinc/26/98/35/554269835.db2.gz NHHBKODBJSDYDV-UHFFFAOYSA-N 1 0 542.702 2.861 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000038147249 554270147 /nfs/dbraw/zinc/27/01/47/554270147.db2.gz GDMKWXTWPZWAIF-FGYAAKKASA-N 1 0 551.779 2.917 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000038147251 554270247 /nfs/dbraw/zinc/27/02/47/554270247.db2.gz GDMKWXTWPZWAIF-WTGUMLROSA-N 1 0 551.779 2.917 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(OC)c(OC)c2)CC1 ZINC000038152219 554272273 /nfs/dbraw/zinc/27/22/73/554272273.db2.gz MTMHATJGRQTGGE-UXBLZVDNSA-N 1 0 544.674 2.519 50 0 KFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000038152358 554272533 /nfs/dbraw/zinc/27/25/33/554272533.db2.gz UIFZAOYFWVYOPX-UHFFFAOYSA-N 1 0 544.674 2.569 50 0 KFAARO CCC[NH+](CCC)CCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450258 554285256 /nfs/dbraw/zinc/28/52/56/554285256.db2.gz BPDUENVQUGEYIT-UHFFFAOYSA-N 1 0 502.475 2.760 50 0 KFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCC[NH+]3CCCCCC3)cc21 ZINC000040450833 554285959 /nfs/dbraw/zinc/28/59/59/554285959.db2.gz BYEMRRRYROQYMK-UHFFFAOYSA-N 1 0 514.486 2.904 50 0 KFAARO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000043208643 554298363 /nfs/dbraw/zinc/29/83/63/554298363.db2.gz LSXUTRRVVSPWDZ-MKKUMYSQSA-N 1 0 561.727 2.623 50 0 in-vitro KFAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000049766875 554325671 /nfs/dbraw/zinc/32/56/71/554325671.db2.gz SSCVXOLGVKLGSV-AXGKCNHXSA-N 1 0 577.770 2.986 50 0 biogenic KFAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000049766876 554325650 /nfs/dbraw/zinc/32/56/50/554325650.db2.gz SSCVXOLGVKLGSV-BIRRFFDLSA-N 1 0 577.770 2.986 50 0 biogenic KFAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3ccccc3Br)c2c(=O)n(C)c1=O ZINC000055556867 554350980 /nfs/dbraw/zinc/35/09/80/554350980.db2.gz IWAYNVOEECVYJJ-UHFFFAOYSA-N 1 0 523.435 2.567 50 0 biogenic KFAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000056992068 554351622 /nfs/dbraw/zinc/35/16/22/554351622.db2.gz UJXWTFSMNLPURO-UHFFFAOYSA-N 1 0 517.615 2.679 50 0 KFAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000059514501 554401529 /nfs/dbraw/zinc/40/15/29/554401529.db2.gz IFUKHBRVKQXRLU-JOCHJYFZSA-N 1 0 551.713 2.639 50 0 KFAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000059514504 554401548 /nfs/dbraw/zinc/40/15/48/554401548.db2.gz IFUKHBRVKQXRLU-QFIPXVFZSA-N 1 0 551.713 2.639 50 0 KFAARO OCC[NH2+]C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000059829334 554432387 /nfs/dbraw/zinc/43/23/87/554432387.db2.gz WVCGLIADJWJXJT-CYBMUJFWSA-N 1 0 536.151 2.947 50 0 KFAARO OCC[NH2+]C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000059829335 554432399 /nfs/dbraw/zinc/43/23/99/554432399.db2.gz WVCGLIADJWJXJT-ZDUSSCGKSA-N 1 0 536.151 2.947 50 0 KFAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4ccc(OC)cc4s3)cc2)CC1 ZINC000060209257 554502982 /nfs/dbraw/zinc/50/29/82/554502982.db2.gz KEWMKMXMMUKSSX-UHFFFAOYSA-N 1 0 575.713 2.976 50 0 KFAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cccc4OC)s3)cc2)CC1 ZINC000060209375 554503024 /nfs/dbraw/zinc/50/30/24/554503024.db2.gz MBAVBESATASISS-UHFFFAOYSA-N 1 0 575.713 2.976 50 0 KFAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060232400 554504450 /nfs/dbraw/zinc/50/44/50/554504450.db2.gz QSMGLZTZPJAMNL-UHFFFAOYSA-N 1 0 546.671 2.687 50 0 KFAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000063411291 554508585 /nfs/dbraw/zinc/50/85/85/554508585.db2.gz VWOSALSJRAXNAJ-UHFFFAOYSA-N 1 0 523.435 2.567 50 0 biogenic KFAARO CN(CC(=O)NCCCN1CC[NH+](C)CC1)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703927 554514288 /nfs/dbraw/zinc/51/42/88/554514288.db2.gz BFCXBUYWUALJAU-UHFFFAOYSA-N 1 0 516.691 2.997 50 0 KFAARO CC[NH+]1CCN(CCNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064703941 554514371 /nfs/dbraw/zinc/51/43/71/554514371.db2.gz DKHOGWYPSRJCGC-UHFFFAOYSA-N 1 0 516.691 2.997 50 0 KFAARO CN(CC(=O)NCCCN1CC[NH+](C)CC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704269 554514849 /nfs/dbraw/zinc/51/48/49/554514849.db2.gz WTMSEFRTZZFTLX-UHFFFAOYSA-N 1 0 516.691 2.997 50 0 KFAARO CC[NH+]1CCN(CCNC(=O)CN(C)c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064704282 554514961 /nfs/dbraw/zinc/51/49/61/554514961.db2.gz NZMKHBDIXCGFKY-UHFFFAOYSA-N 1 0 516.691 2.997 50 0 KFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000066259722 554529900 /nfs/dbraw/zinc/52/99/00/554529900.db2.gz XQIPAKMVWWONAW-JOCHJYFZSA-N 1 0 536.683 2.971 50 0 KFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000066259723 554529871 /nfs/dbraw/zinc/52/98/71/554529871.db2.gz XQIPAKMVWWONAW-QFIPXVFZSA-N 1 0 536.683 2.971 50 0 KFAARO Cn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337143 554530660 /nfs/dbraw/zinc/53/06/60/554530660.db2.gz VHERDLUZZCPLSR-UHFFFAOYSA-N 1 0 535.114 2.675 50 0 KFAARO Cn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337195 554530996 /nfs/dbraw/zinc/53/09/96/554530996.db2.gz SPHPPMABLXUWDY-UHFFFAOYSA-N 1 0 535.114 2.675 50 0 KFAARO CCCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337399 554531330 /nfs/dbraw/zinc/53/13/30/554531330.db2.gz AUFATZISLOHWNM-UHFFFAOYSA-N 1 0 537.130 2.871 50 0 KFAARO Cn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337507 554531340 /nfs/dbraw/zinc/53/13/40/554531340.db2.gz PZALBXCJFWCSOI-UHFFFAOYSA-N 1 0 535.114 2.675 50 0 KFAARO CCCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337656 554531624 /nfs/dbraw/zinc/53/16/24/554531624.db2.gz RPFUXLOYRYRJRL-UHFFFAOYSA-N 1 0 537.130 2.871 50 0 KFAARO Cn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337707 554531583 /nfs/dbraw/zinc/53/15/83/554531583.db2.gz GQIJSIJBLPPXKE-UHFFFAOYSA-N 1 0 535.114 2.675 50 0 KFAARO Cn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337739 554531617 /nfs/dbraw/zinc/53/16/17/554531617.db2.gz QJNOANURQPKKRQ-UHFFFAOYSA-N 1 0 535.114 2.675 50 0 KFAARO CCCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337866 554531895 /nfs/dbraw/zinc/53/18/95/554531895.db2.gz YHNDKXQJFCXIKZ-UHFFFAOYSA-N 1 0 537.130 2.871 50 0 KFAARO CCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067338060 554532217 /nfs/dbraw/zinc/53/22/17/554532217.db2.gz WTLLXEXBYBHYQE-UHFFFAOYSA-N 1 0 537.130 2.790 50 0 KFAARO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)(C(C)C)C1 ZINC000068207369 554538414 /nfs/dbraw/zinc/53/84/14/554538414.db2.gz MCRWZBYTLVCCJJ-DKALBXGISA-N 1 0 511.589 2.873 50 0 KFAARO COc1ccccc1C[C@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000070669802 553598983 /nfs/dbraw/zinc/59/89/83/553598983.db2.gz HYQPARXNRKQMOW-WJFIMHFKSA-N 1 0 540.620 2.784 50 0 biogenic KFAARO COc1ccccc1C[C@@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000070669803 553598919 /nfs/dbraw/zinc/59/89/19/553598919.db2.gz HYQPARXNRKQMOW-VGNCIJBISA-N 1 0 540.620 2.784 50 0 biogenic KFAARO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000070669815 553598842 /nfs/dbraw/zinc/59/88/42/553598842.db2.gz RZPXMDBIENOALU-GQMZVLBDSA-N 1 0 570.646 2.792 50 0 biogenic KFAARO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000070669816 553598818 /nfs/dbraw/zinc/59/88/18/553598818.db2.gz RZPXMDBIENOALU-QVVQTHAHSA-N 1 0 570.646 2.792 50 0 biogenic KFAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070669824 553598970 /nfs/dbraw/zinc/59/89/70/553598970.db2.gz GKDPYYRXPNPYPJ-UDKTZTBJSA-N 1 0 554.603 2.504 50 0 biogenic KFAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070669825 553598875 /nfs/dbraw/zinc/59/88/75/553598875.db2.gz GKDPYYRXPNPYPJ-IKBQMQIHSA-N 1 0 554.603 2.504 50 0 biogenic KFAARO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000070669831 553598867 /nfs/dbraw/zinc/59/88/67/553598867.db2.gz HUTKOILPIRFWEJ-OXYPMYLPSA-N 1 0 540.620 2.784 50 0 biogenic KFAARO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000070669832 553598810 /nfs/dbraw/zinc/59/88/10/553598810.db2.gz HUTKOILPIRFWEJ-ULPIOCOXSA-N 1 0 540.620 2.784 50 0 biogenic KFAARO CCOc1cc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O ZINC000070670203 553600841 /nfs/dbraw/zinc/60/08/41/553600841.db2.gz YOLQANLNDICHCO-MSOLQXFVSA-N 1 0 603.539 2.579 50 0 KFAARO CN1C(=O)C(Cc2ccc3c4c(cccc42)CC3)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C1=S ZINC000070671675 553600914 /nfs/dbraw/zinc/60/09/14/553600914.db2.gz NOCXDRBBNGETSX-XXBNENTESA-N 1 0 540.689 2.964 50 0 biogenic KFAARO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1F)c2=O ZINC000070686922 553605919 /nfs/dbraw/zinc/60/59/19/553605919.db2.gz KAJXKVSHZGIIGG-KSFYIVLOSA-N 1 0 563.538 2.526 50 0 biogenic KFAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699145 553615568 /nfs/dbraw/zinc/61/55/68/553615568.db2.gz KEAWQTGGKQATSK-PKVHRPSESA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699148 553615543 /nfs/dbraw/zinc/61/55/43/553615543.db2.gz KEAWQTGGKQATSK-BMEWAZJXSA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699149 553615561 /nfs/dbraw/zinc/61/55/61/553615561.db2.gz KEAWQTGGKQATSK-IGGVYQGESA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699152 553615556 /nfs/dbraw/zinc/61/55/56/553615556.db2.gz KEAWQTGGKQATSK-GXCDUKDASA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701456 553622118 /nfs/dbraw/zinc/62/21/18/553622118.db2.gz USLUCCCHZMUGNA-NLPMMIMISA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701458 553622120 /nfs/dbraw/zinc/62/21/20/553622120.db2.gz USLUCCCHZMUGNA-ZIIYKKPRSA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701459 553622114 /nfs/dbraw/zinc/62/21/14/553622114.db2.gz USLUCCCHZMUGNA-LBLLCNBYSA-N 1 0 531.952 2.938 50 0 biogenic KFAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701461 553622052 /nfs/dbraw/zinc/62/20/52/553622052.db2.gz USLUCCCHZMUGNA-OHRDTETDSA-N 1 0 531.952 2.938 50 0 biogenic KFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704879 553624032 /nfs/dbraw/zinc/62/40/32/553624032.db2.gz IYZRVZXYQAVOMV-AKKJASCUSA-N 1 0 545.567 2.754 50 0 biogenic KFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704882 553623961 /nfs/dbraw/zinc/62/39/61/553623961.db2.gz IYZRVZXYQAVOMV-SHJMPOBASA-N 1 0 545.567 2.754 50 0 biogenic KFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704884 553623999 /nfs/dbraw/zinc/62/39/99/553623999.db2.gz IYZRVZXYQAVOMV-ZCTJEENXSA-N 1 0 545.567 2.754 50 0 biogenic KFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704885 553624073 /nfs/dbraw/zinc/62/40/73/553624073.db2.gz IYZRVZXYQAVOMV-QXQHHZKDSA-N 1 0 545.567 2.754 50 0 biogenic KFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CCC(N)=O)[NH2+][C@@]23c2cc(Br)ccc2NC3=O)cc1 ZINC000070712267 553633775 /nfs/dbraw/zinc/63/37/75/553633775.db2.gz CNSWEPNDOGXXBU-GXYVPTEVSA-N 1 0 529.391 2.656 50 0 biogenic KFAARO CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)cc1OC ZINC000072139782 553644969 /nfs/dbraw/zinc/64/49/69/553644969.db2.gz CXYVZNZGJNHKQE-UHFFFAOYSA-N 1 0 546.690 2.899 50 0 KFAARO CC(C)(C)OC(=O)CCOCC([NH3+])(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C ZINC000072191301 553645971 /nfs/dbraw/zinc/64/59/71/553645971.db2.gz KPXODPHVWBQJEG-UHFFFAOYSA-N 1 0 505.649 2.929 50 0 KFAARO Cc1ccc(N2CCN(Cc3c(O)c(=O)cc(C[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)n3C)CC2)c(C)c1 ZINC000079192370 553668373 /nfs/dbraw/zinc/66/83/73/553668373.db2.gz KBBJCNQSFVYCHP-RPWUZVMVSA-N 1 0 529.685 2.811 50 0 biogenic KFAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000079194214 553669314 /nfs/dbraw/zinc/66/93/14/553669314.db2.gz NIVKNYONXLJQNU-RTWAWAEBSA-N 1 0 536.076 2.848 50 0 biogenic KFAARO COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1CC1(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C1=O)OCO2 ZINC000079204591 553669871 /nfs/dbraw/zinc/66/98/71/553669871.db2.gz ILGHKDWGCFMCEB-BVAGGSTKSA-N 1 0 683.762 2.599 50 0 KFAARO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@](OC(C)=O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000079212786 553670456 /nfs/dbraw/zinc/67/04/56/553670456.db2.gz GAZDXIGXYWVWQX-IBOHHWAHSA-N 1 0 643.774 2.715 50 0 biogenic,in-vitro KFAARO Cc1cccc(N2CCN(Cc3c(O)c(=O)cc(C[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)n3C)CC2)c1C ZINC000085875411 553688456 /nfs/dbraw/zinc/68/84/56/553688456.db2.gz VRMJWPCNVNSWBB-RPWUZVMVSA-N 1 0 529.685 2.811 50 0 biogenic KFAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000085876299 553688884 /nfs/dbraw/zinc/68/88/84/553688884.db2.gz ONMHVCMZDDNGPD-GGAORHGYSA-N 1 0 550.103 2.843 50 0 biogenic KFAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000085878203 553689767 /nfs/dbraw/zinc/68/97/67/553689767.db2.gz LAFUCBJSKQCBBO-PKTZIBPZSA-N 1 0 550.103 2.843 50 0 biogenic KFAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000085878990 553689780 /nfs/dbraw/zinc/68/97/80/553689780.db2.gz ASQRHFQXBOSEIC-NOBSUVEMSA-N 1 0 541.696 2.703 50 0 biogenic KFAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000085879873 553690078 /nfs/dbraw/zinc/69/00/78/553690078.db2.gz KBMZAYZENZMWFA-PKTZIBPZSA-N 1 0 580.129 2.722 50 0 biogenic KFAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000085880031 553690093 /nfs/dbraw/zinc/69/00/93/553690093.db2.gz FBZJSHIDSGOJLG-RTWAWAEBSA-N 1 0 536.076 2.848 50 0 biogenic KFAARO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000089469833 553693716 /nfs/dbraw/zinc/69/37/16/553693716.db2.gz WXRGFPHDRFQODR-ICLZECGLSA-N 1 0 539.681 2.852 50 0 in-vivo KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1 ZINC000095570240 553705082 /nfs/dbraw/zinc/70/50/82/553705082.db2.gz BQXWUEAAXQOADL-UHFFFAOYSA-N 1 0 530.544 2.658 50 0 KFAARO COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000095599165 553705384 /nfs/dbraw/zinc/70/53/84/553705384.db2.gz HYFHYPWGAURHIV-WPUBFDFZSA-N 1 0 545.629 2.581 50 0 KFAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000096019763 553716568 /nfs/dbraw/zinc/71/65/68/553716568.db2.gz ZEFJUBZIZAUNJP-UHFFFAOYSA-N 1 0 531.642 2.689 50 0 KFAARO Cn1c2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(CCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000096019863 553716871 /nfs/dbraw/zinc/71/68/71/553716871.db2.gz JZINXHDNTFQTHE-UHFFFAOYSA-N 1 0 554.680 2.917 50 0 KFAARO Cn1ncc(Br)c1C(=O)N(C(=O)c1c(Br)cnn1C)c1nc2ccccc2n1CCN1CCOCC1 ZINC000097948948 553797937 /nfs/dbraw/zinc/79/79/37/553797937.db2.gz SEQXKPULNRKTEI-UHFFFAOYSA-N 1 0 620.306 2.848 50 0 KFAARO OCCN1CC[NH+](C[C@@H](O)Cn2c3ccc(I)cc3c3cc(I)ccc32)CC1 ZINC000097986469 554024294 /nfs/dbraw/zinc/02/42/94/554024294.db2.gz ZTVDEXVYOMZYID-QGZVFWFLSA-N 1 0 605.258 2.975 50 0 KFAARO OCCN1CC[NH+](C[C@H](O)Cn2c3ccc(I)cc3c3cc(I)ccc32)CC1 ZINC000097986470 554024316 /nfs/dbraw/zinc/02/43/16/554024316.db2.gz ZTVDEXVYOMZYID-KRWDZBQOSA-N 1 0 605.258 2.975 50 0 KFAARO CC[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)n2)CC1 ZINC000098015190 554096878 /nfs/dbraw/zinc/09/68/78/554096878.db2.gz LPCVSWXLGQUVIT-UHFFFAOYSA-N 1 0 538.640 2.992 50 0 KFAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100632739 554435501 /nfs/dbraw/zinc/43/55/01/554435501.db2.gz LJSOYWRKLBQFFM-MUUNZHRXSA-N 1 0 574.703 2.747 50 0 KFAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100632742 554435526 /nfs/dbraw/zinc/43/55/26/554435526.db2.gz LJSOYWRKLBQFFM-NDEPHWFRSA-N 1 0 574.703 2.747 50 0 KFAARO CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c65)C[C@H]4[N@H+](C)C3)(C(C)C)C(=O)N12 ZINC000100735934 571361144 /nfs/dbraw/zinc/36/11/44/571361144.db2.gz PBUNVLRHZGSROC-FICXGJARSA-N 1 0 577.726 2.521 50 0 in-vitro KFAARO COc1ccccc1CN[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](NCc4ccccc4OC)C3=O)cc2)C1=O ZINC000100753495 554466650 /nfs/dbraw/zinc/46/66/50/554466650.db2.gz BXBRBVVXOLLZSF-PSWAGMNNSA-N 1 0 542.592 2.547 50 0 KFAARO COc1ccc([C@@]2(O)CC[C@@H]([N@@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC000100765881 554469869 /nfs/dbraw/zinc/46/98/69/554469869.db2.gz NXZNYBUBXWWKCP-DNRQZRRGSA-N 1 0 520.552 2.860 50 0 in-vitro KFAARO COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1OC ZINC000100852573 554492846 /nfs/dbraw/zinc/49/28/46/554492846.db2.gz KMMQIOSOSXGNRC-UHFFFAOYSA-N 1 0 627.742 2.710 50 0 KFAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)[nH+]1 ZINC000100956996 554539889 /nfs/dbraw/zinc/53/98/89/554539889.db2.gz CYLZUTLDGBDGGS-UHFFFAOYSA-N 1 0 527.432 2.891 50 0 KFAARO Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)n3)CC2)cc1 ZINC000101209927 554678507 /nfs/dbraw/zinc/67/85/07/554678507.db2.gz GBWZVNJXJYNSRX-UHFFFAOYSA-N 1 0 537.064 2.782 50 0 KFAARO COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccccc4F)CC3)n2)CC1 ZINC000101210435 554678997 /nfs/dbraw/zinc/67/89/97/554678997.db2.gz MTYWYBPXCGUCDT-UHFFFAOYSA-N 1 0 541.027 2.856 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101216316 554683473 /nfs/dbraw/zinc/68/34/73/554683473.db2.gz VDQYGWLGFDIYSQ-DEOSSOPVSA-N 1 0 555.676 2.971 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101216321 554683372 /nfs/dbraw/zinc/68/33/72/554683372.db2.gz VDQYGWLGFDIYSQ-XMMPIXPASA-N 1 0 555.676 2.971 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101216434 554683622 /nfs/dbraw/zinc/68/36/22/554683622.db2.gz OLNUPTAWHOXURS-VWLOTQADSA-N 1 0 567.712 2.840 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101216439 554683750 /nfs/dbraw/zinc/68/37/50/554683750.db2.gz OLNUPTAWHOXURS-RUZDIDTESA-N 1 0 567.712 2.840 50 0 KFAARO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC[NH+]4CCC(C)CC4)c(=O)c32)CC1 ZINC000101222806 554687843 /nfs/dbraw/zinc/68/78/43/554687843.db2.gz IQTPCYHYTMTDCH-UHFFFAOYSA-N 1 0 616.810 2.524 50 0 KFAARO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)c(=O)c32)CC1 ZINC000101222812 554687876 /nfs/dbraw/zinc/68/78/76/554687876.db2.gz FSUALGNKZNVMGV-SZPZYZBQSA-N 1 0 630.837 2.770 50 0 KFAARO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)c(=O)c32)CC1 ZINC000101222816 554687869 /nfs/dbraw/zinc/68/78/69/554687869.db2.gz FSUALGNKZNVMGV-VXKWHMMOSA-N 1 0 630.837 2.770 50 0 KFAARO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)c(=O)c32)CC1 ZINC000101222822 554687826 /nfs/dbraw/zinc/68/78/26/554687826.db2.gz FSUALGNKZNVMGV-FGZHOGPDSA-N 1 0 630.837 2.770 50 0 KFAARO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O)Cc1ccccc1 ZINC000101223033 554687812 /nfs/dbraw/zinc/68/78/12/554687812.db2.gz LMDYAHQDIUVYIT-UHFFFAOYSA-N 1 0 545.731 2.969 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254246 554694607 /nfs/dbraw/zinc/69/46/07/554694607.db2.gz UESXCCINJOEOQC-QHCPKHFHSA-N 1 0 541.649 2.581 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254249 554694670 /nfs/dbraw/zinc/69/46/70/554694670.db2.gz UESXCCINJOEOQC-HSZRJFAPSA-N 1 0 541.649 2.581 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254254 554694704 /nfs/dbraw/zinc/69/47/04/554694704.db2.gz HYFCJPFMNHPMPN-RUZDIDTESA-N 1 0 567.712 2.840 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254258 554694602 /nfs/dbraw/zinc/69/46/02/554694602.db2.gz HYFCJPFMNHPMPN-VWLOTQADSA-N 1 0 567.712 2.840 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254269 554694719 /nfs/dbraw/zinc/69/47/19/554694719.db2.gz YKNUYHVBBXHUKN-RUZDIDTESA-N 1 0 595.722 2.618 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254271 554694617 /nfs/dbraw/zinc/69/46/17/554694617.db2.gz YKNUYHVBBXHUKN-VWLOTQADSA-N 1 0 595.722 2.618 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254307 554694883 /nfs/dbraw/zinc/69/48/83/554694883.db2.gz ATLGHMHIFSYPPX-VWLOTQADSA-N 1 0 567.712 2.840 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254312 554694938 /nfs/dbraw/zinc/69/49/38/554694938.db2.gz ATLGHMHIFSYPPX-RUZDIDTESA-N 1 0 567.712 2.840 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254349 554694893 /nfs/dbraw/zinc/69/48/93/554694893.db2.gz UJXANAKVRLPNDO-XMMPIXPASA-N 1 0 537.686 2.750 50 0 KFAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254352 554694942 /nfs/dbraw/zinc/69/49/42/554694942.db2.gz UJXANAKVRLPNDO-DEOSSOPVSA-N 1 0 537.686 2.750 50 0 KFAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254376 554694919 /nfs/dbraw/zinc/69/49/19/554694919.db2.gz AGBIGMMGRQFKFQ-JOCHJYFZSA-N 1 0 546.093 2.936 50 0 KFAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254379 554694880 /nfs/dbraw/zinc/69/48/80/554694880.db2.gz AGBIGMMGRQFKFQ-QFIPXVFZSA-N 1 0 546.093 2.936 50 0 KFAARO COc1ccc([C@@H]2[C@H](C(=O)NCCCN3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266534 554698992 /nfs/dbraw/zinc/69/89/92/554698992.db2.gz FDGDERVPLMBDFH-UFHPHHKVSA-N 1 0 554.688 2.959 50 0 KFAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266536 554698921 /nfs/dbraw/zinc/69/89/21/554698921.db2.gz FDGDERVPLMBDFH-RBJSKKJNSA-N 1 0 554.688 2.959 50 0 KFAARO COc1ccc([C@H]2[C@H](C(=O)NCCCN3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266538 554699037 /nfs/dbraw/zinc/69/90/37/554699037.db2.gz FDGDERVPLMBDFH-YWEHKCAJSA-N 1 0 554.688 2.959 50 0 KFAARO COc1ccc([C@H]2[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266540 554699021 /nfs/dbraw/zinc/69/90/21/554699021.db2.gz FDGDERVPLMBDFH-CUBQBAPOSA-N 1 0 554.688 2.959 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276561 554702945 /nfs/dbraw/zinc/70/29/45/554702945.db2.gz UREWEQHDQCCSQR-IDCDSMMUSA-N 1 0 529.524 2.876 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276564 554702832 /nfs/dbraw/zinc/70/28/32/554702832.db2.gz UREWEQHDQCCSQR-CHCBTGSZSA-N 1 0 529.524 2.876 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276566 554702862 /nfs/dbraw/zinc/70/28/62/554702862.db2.gz UREWEQHDQCCSQR-HNFJUSDZSA-N 1 0 529.524 2.876 50 0 KFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276567 554702973 /nfs/dbraw/zinc/70/29/73/554702973.db2.gz UREWEQHDQCCSQR-MVPDCNEZSA-N 1 0 529.524 2.876 50 0 KFAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]31)C(=O)N2 ZINC000101284774 554705702 /nfs/dbraw/zinc/70/57/02/554705702.db2.gz WUSIIDREYASZQL-XITLKHQFSA-N 1 0 520.895 2.858 50 0 KFAARO O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101329902 554730655 /nfs/dbraw/zinc/73/06/55/554730655.db2.gz CEJONSDKAYUEIP-UHFFFAOYSA-N 1 0 545.684 2.783 50 0 KFAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CC[NH+](Cc4ccccc4)CC2)C(=O)CO3)C1 ZINC000101425278 554768295 /nfs/dbraw/zinc/76/82/95/554768295.db2.gz IVRFIWARVFXZCT-SZPZYZBQSA-N 1 0 554.713 2.859 50 0 KFAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CC[NH+](Cc4ccccc4)CC2)C(=O)CO3)C1 ZINC000101425280 554768262 /nfs/dbraw/zinc/76/82/62/554768262.db2.gz IVRFIWARVFXZCT-VXKWHMMOSA-N 1 0 554.713 2.859 50 0 KFAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CC[NH+](Cc4ccccc4)CC2)C(=O)CO3)C1 ZINC000101425282 554768287 /nfs/dbraw/zinc/76/82/87/554768287.db2.gz IVRFIWARVFXZCT-FGZHOGPDSA-N 1 0 554.713 2.859 50 0 KFAARO COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)[nH]c3c2cc1OC ZINC000101425535 554768543 /nfs/dbraw/zinc/76/85/43/554768543.db2.gz DVJPHLSSNBNKHL-OAQYLSRUSA-N 1 0 568.675 2.619 50 0 KFAARO COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)[nH]c3c2cc1OC ZINC000101425538 554768484 /nfs/dbraw/zinc/76/84/84/554768484.db2.gz DVJPHLSSNBNKHL-NRFANRHFSA-N 1 0 568.675 2.619 50 0 KFAARO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101425631 554768529 /nfs/dbraw/zinc/76/85/29/554768529.db2.gz GCZFPCOURIFTGZ-UHFFFAOYSA-N 1 0 540.686 2.758 50 0 KFAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1OC ZINC000101443269 554773611 /nfs/dbraw/zinc/77/36/11/554773611.db2.gz GGZIAECNOMGTKD-NKFKGCMQSA-N 1 0 541.674 2.533 50 0 KFAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000101445791 554774008 /nfs/dbraw/zinc/77/40/08/554774008.db2.gz OVWQOABFYWHXCC-KQWNVCNZSA-N 1 0 601.726 2.551 50 0 KFAARO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000101448912 554775180 /nfs/dbraw/zinc/77/51/80/554775180.db2.gz JOTDLDOMRPTXJY-UHFFFAOYSA-N 1 0 535.508 2.844 50 0 KFAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CC[NH+](Cc4ccccc4)CC2)C(=O)CO3)CC1 ZINC000101506451 554790188 /nfs/dbraw/zinc/79/01/88/554790188.db2.gz ZTAQBGOOSNZPJI-UHFFFAOYSA-N 1 0 540.686 2.613 50 0 KFAARO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000101507644 554791486 /nfs/dbraw/zinc/79/14/86/554791486.db2.gz OHEWOXPNWCANRW-UHFFFAOYSA-N 1 0 540.686 2.541 50 0 KFAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCN4CC[NH+](C)CC4)CC3)s2)cc1 ZINC000101575733 554799019 /nfs/dbraw/zinc/79/90/19/554799019.db2.gz ZWPNRRWASZIBRO-UHFFFAOYSA-N 1 0 552.749 2.920 50 0 KFAARO COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC[NH+](C)C)C(=O)c4ccccc4C)CC3)nn2)cc1OC ZINC000101644429 554814864 /nfs/dbraw/zinc/81/48/64/554814864.db2.gz NIBAZTMLBIMYRW-UHFFFAOYSA-N 1 0 546.672 2.822 50 0 KFAARO COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC[NH+](C)C)C(=O)c4ccc(F)cc4)CC3)nn2)c(OC)c1 ZINC000101644819 554815127 /nfs/dbraw/zinc/81/51/27/554815127.db2.gz XFEBRLMXQLLOIM-UHFFFAOYSA-N 1 0 550.635 2.653 50 0 KFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000101681069 554828488 /nfs/dbraw/zinc/82/84/88/554828488.db2.gz JKEJKFMZNFHRMB-UHFFFAOYSA-N 1 0 551.713 2.640 50 0 KFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000101681416 554828491 /nfs/dbraw/zinc/82/84/91/554828491.db2.gz ISJLFNMUYPEMKB-UHFFFAOYSA-N 1 0 600.745 2.865 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000101688095 1059466379 /nfs/dbraw/zinc/46/63/79/1059466379.db2.gz YUWUVFVRLSQSHF-NRFANRHFSA-N 1 0 570.634 2.681 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000101688098 1059466336 /nfs/dbraw/zinc/46/63/36/1059466336.db2.gz YUWUVFVRLSQSHF-OAQYLSRUSA-N 1 0 570.634 2.681 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000101691398 1059006759 /nfs/dbraw/zinc/00/67/59/1059006759.db2.gz RDYMZIUQCRIUPK-NRFANRHFSA-N 1 0 570.634 2.681 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000101691406 1059006631 /nfs/dbraw/zinc/00/66/31/1059006631.db2.gz RDYMZIUQCRIUPK-OAQYLSRUSA-N 1 0 570.634 2.681 50 0 KFAARO O=C(c1ccccc1Br)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000101744301 554834295 /nfs/dbraw/zinc/83/42/95/554834295.db2.gz OIBRALFFVLUDNL-UHFFFAOYSA-N 1 0 551.489 2.813 50 0 KFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000102216938 554898478 /nfs/dbraw/zinc/89/84/78/554898478.db2.gz GNKASXJQQZCVAQ-UHFFFAOYSA-N 1 0 547.077 2.852 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000102217510 554898640 /nfs/dbraw/zinc/89/86/40/554898640.db2.gz HAWWUOBDSVOKON-IRLDBZIGSA-N 1 0 540.686 2.896 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000102217515 554898665 /nfs/dbraw/zinc/89/86/65/554898665.db2.gz HAWWUOBDSVOKON-IFMALSPDSA-N 1 0 540.686 2.896 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102231140 1059013371 /nfs/dbraw/zinc/01/33/71/1059013371.db2.gz IOTVGCAKATZSTE-QFIPXVFZSA-N 1 0 554.635 2.801 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102231144 1059013173 /nfs/dbraw/zinc/01/31/73/1059013173.db2.gz IOTVGCAKATZSTE-JOCHJYFZSA-N 1 0 554.635 2.801 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102240852 1059013433 /nfs/dbraw/zinc/01/34/33/1059013433.db2.gz NZQLBCBSFXZLMO-NRFANRHFSA-N 1 0 554.635 2.801 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102240856 1059013947 /nfs/dbraw/zinc/01/39/47/1059013947.db2.gz NZQLBCBSFXZLMO-OAQYLSRUSA-N 1 0 554.635 2.801 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102242814 1059014067 /nfs/dbraw/zinc/01/40/67/1059014067.db2.gz MQPQVGKQJOVWGA-QFIPXVFZSA-N 1 0 554.635 2.801 50 0 KFAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102242822 1059013837 /nfs/dbraw/zinc/01/38/37/1059013837.db2.gz MQPQVGKQJOVWGA-JOCHJYFZSA-N 1 0 554.635 2.801 50 0 KFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000102325703 554912359 /nfs/dbraw/zinc/91/23/59/554912359.db2.gz UXTGYGPNLQBZDQ-LUIYGWMASA-N 1 0 536.652 2.993 50 0 KFAARO COc1ccc(S(=O)(=O)N(c2ccc(N3CC[NH+](C)CC3)c3nonc32)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000102371159 554916146 /nfs/dbraw/zinc/91/61/46/554916146.db2.gz HSOYQJOMARAVKX-UHFFFAOYSA-N 1 0 573.653 2.576 50 0 KFAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCN3CCOCC3)C2)cc1OC ZINC000102382340 554918592 /nfs/dbraw/zinc/91/85/92/554918592.db2.gz DINVNCMTCHXWMP-IZZNHLLZSA-N 1 0 550.700 2.718 50 0 KFAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCN2CCNC2=O)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000102405349 554920555 /nfs/dbraw/zinc/92/05/55/554920555.db2.gz ZYLOLQFOYGSXNU-XZOQPEGZSA-N 1 0 528.657 2.875 50 0 KFAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC2)cc1 ZINC000102497198 554940988 /nfs/dbraw/zinc/94/09/88/554940988.db2.gz CTIWMYMFZIHZLF-UHFFFAOYSA-N 1 0 533.654 2.747 50 0 KFAARO COc1ccc(CN2CCc3c(c(=O)n4ncc(C(=O)N5CCN(c6cccc(OC)c6)CC5)c4n3C)C2)cc1 ZINC000102634270 554990219 /nfs/dbraw/zinc/99/02/19/554990219.db2.gz SCBJZGYOZQWZRA-UHFFFAOYSA-N 1 0 542.640 2.571 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)NC(C)(C)C ZINC000102744103 555035224 /nfs/dbraw/zinc/03/52/24/555035224.db2.gz SXMOJKQCTXLRCS-UHFFFAOYSA-N 1 0 555.724 2.961 50 0 KFAARO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000102781938 555066338 /nfs/dbraw/zinc/06/63/38/555066338.db2.gz XFZNYISLTFJNAX-UHFFFAOYSA-N 1 0 553.729 2.886 50 0 KFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000102785027 555067434 /nfs/dbraw/zinc/06/74/34/555067434.db2.gz FXCICNSZDKUFDH-UHFFFAOYSA-N 1 0 551.713 2.640 50 0 KFAARO O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000102786158 555067803 /nfs/dbraw/zinc/06/78/03/555067803.db2.gz PHBPPXQASKNOCE-UHFFFAOYSA-N 1 0 586.780 2.607 50 0 KFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000102792800 555069615 /nfs/dbraw/zinc/06/96/15/555069615.db2.gz HJJZNHJLVSLDLI-UHFFFAOYSA-N 1 0 591.572 2.846 50 0 KFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000102793323 555071016 /nfs/dbraw/zinc/07/10/16/555071016.db2.gz DHIIRAKTVICDDL-UHFFFAOYSA-N 1 0 535.508 2.844 50 0 KFAARO COC(=O)c1ccc([C@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000102908516 555141609 /nfs/dbraw/zinc/14/16/09/555141609.db2.gz OFBRSDUDBKJZHC-HHHXNRCGSA-N 1 0 539.636 2.876 50 0 KFAARO COC(=O)c1ccc([C@@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000102908519 555141643 /nfs/dbraw/zinc/14/16/43/555141643.db2.gz OFBRSDUDBKJZHC-MHZLTWQESA-N 1 0 539.636 2.876 50 0 KFAARO CCCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000102920517 555145708 /nfs/dbraw/zinc/14/57/08/555145708.db2.gz HDHILVAUCSXIBA-UHFFFAOYSA-N 1 0 546.738 2.617 50 0 KFAARO Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000102920717 555145827 /nfs/dbraw/zinc/14/58/27/555145827.db2.gz RTGNFXAKAVXFHZ-UHFFFAOYSA-N 1 0 549.141 2.983 50 0 KFAARO O=S(=O)(c1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000102939556 555168295 /nfs/dbraw/zinc/16/82/95/555168295.db2.gz COWFRFPPBUNWDX-MHZLTWQESA-N 1 0 551.709 2.854 50 0 KFAARO O=S(=O)(c1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000102939559 555168231 /nfs/dbraw/zinc/16/82/31/555168231.db2.gz COWFRFPPBUNWDX-HHHXNRCGSA-N 1 0 551.709 2.854 50 0 KFAARO O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000102955897 555173736 /nfs/dbraw/zinc/17/37/36/555173736.db2.gz JMRONOPSXHMHKC-UHFFFAOYSA-N 1 0 547.519 2.844 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccco1 ZINC000102997537 555196979 /nfs/dbraw/zinc/19/69/79/555196979.db2.gz NVLSDPZDXYJTOQ-UHFFFAOYSA-N 1 0 550.660 2.887 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccco1 ZINC000102997558 555197014 /nfs/dbraw/zinc/19/70/14/555197014.db2.gz HDVYYZGLFBXNNH-UHFFFAOYSA-N 1 0 550.660 2.887 50 0 KFAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000103003768 555202404 /nfs/dbraw/zinc/20/24/04/555202404.db2.gz PJFQYXJEWPMYMV-NFCHJMJDSA-N 1 0 534.682 2.623 50 0 KFAARO CCN(C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000103007780 555204798 /nfs/dbraw/zinc/20/47/98/555204798.db2.gz LRIFBOVLOWCHSA-UHFFFAOYSA-N 1 0 552.679 2.927 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2cccc(OC)c2OC)CC1 ZINC000103010361 1059075763 /nfs/dbraw/zinc/07/57/63/1059075763.db2.gz OONQZXYQXLCQFH-FLIBITNWSA-N 1 0 544.674 2.519 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2ccc(OC)cc2OC)CC1 ZINC000103010365 1059076329 /nfs/dbraw/zinc/07/63/29/1059076329.db2.gz ANVSBTBGCLEXLC-POHAHGRESA-N 1 0 544.674 2.519 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2ccc(OC)c(OC)c2)CC1 ZINC000103010368 1059076165 /nfs/dbraw/zinc/07/61/65/1059076165.db2.gz MTMHATJGRQTGGE-POHAHGRESA-N 1 0 544.674 2.519 50 0 KFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2cc(C)ccc2Cl)CC1 ZINC000103010421 555205764 /nfs/dbraw/zinc/20/57/64/555205764.db2.gz YKAJJOOLWBZQCP-UHFFFAOYSA-N 1 0 537.082 2.829 50 0 KFAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000103011013 555205936 /nfs/dbraw/zinc/20/59/36/555205936.db2.gz JFSACOGEXOVPMC-SMXKYELJSA-N 1 0 528.030 2.976 50 0 KFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103100914 555278491 /nfs/dbraw/zinc/27/84/91/555278491.db2.gz DHFHHROZEMOGCU-UHFFFAOYSA-N 1 0 596.754 2.842 50 0 KFAARO C[NH+](C)CCNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000103247302 555343852 /nfs/dbraw/zinc/34/38/52/555343852.db2.gz DKCFCOCOKPMNRQ-UHFFFAOYSA-N 1 0 529.441 2.772 50 0 KFAARO O=c1cc(CN2CCN(Cc3ccc(F)cc3)CC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH]1 ZINC000103307469 555356717 /nfs/dbraw/zinc/35/67/17/555356717.db2.gz OPGGLXGLARHZMW-UHFFFAOYSA-N 1 0 576.698 2.891 50 0 KFAARO O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH]1 ZINC000103330652 555359312 /nfs/dbraw/zinc/35/93/12/555359312.db2.gz AVTIBAXKEAARKI-UHFFFAOYSA-N 1 0 550.729 2.884 50 0 KFAARO COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC[NH+](C)C)C(=O)c4cccs4)CC3)nn2)cc1OC ZINC000103408538 555394142 /nfs/dbraw/zinc/39/41/42/555394142.db2.gz AIADIPHJTZRTNU-UHFFFAOYSA-N 1 0 538.674 2.575 50 0 KFAARO COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC[NH+](C)C)C(=O)c4ccccc4F)CC3)nn2)cc1OC ZINC000103408560 555394413 /nfs/dbraw/zinc/39/44/13/555394413.db2.gz UUHXNXVFKKKGGK-UHFFFAOYSA-N 1 0 550.635 2.653 50 0 KFAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000103623689 555457320 /nfs/dbraw/zinc/45/73/20/555457320.db2.gz QAENAIRGQKEAEC-CTNGQTDRSA-N 1 0 501.678 2.962 50 0 KFAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000103623693 555457386 /nfs/dbraw/zinc/45/73/86/555457386.db2.gz QAENAIRGQKEAEC-FPOVZHCZSA-N 1 0 501.678 2.962 50 0 KFAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000103639154 555460143 /nfs/dbraw/zinc/46/01/43/555460143.db2.gz FWFGQWWTVQURBY-RDGATRHJSA-N 1 0 512.676 2.842 50 0 KFAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000103639158 555460098 /nfs/dbraw/zinc/46/00/98/555460098.db2.gz FWFGQWWTVQURBY-DHLKQENFSA-N 1 0 512.676 2.842 50 0 KFAARO CC[C@H](C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000103869095 571368117 /nfs/dbraw/zinc/36/81/17/571368117.db2.gz ONIDEQMXMMZNJK-HSQYWUDLSA-N 1 0 504.678 2.919 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000104766832 562825153 /nfs/dbraw/zinc/82/51/53/562825153.db2.gz GDMKWXTWPZWAIF-YRPNKDGESA-N 1 0 551.779 2.917 50 0 KFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000104937400 571388054 /nfs/dbraw/zinc/38/80/54/571388054.db2.gz IRKYFZWHQWLWLN-WZONZLPQSA-N 1 0 503.596 2.882 50 0 KFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000104937607 571388006 /nfs/dbraw/zinc/38/80/06/571388006.db2.gz LYRKFAIRPPQMQB-VGOFRKELSA-N 1 0 503.596 2.882 50 0 KFAARO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000105039156 571390044 /nfs/dbraw/zinc/39/00/44/571390044.db2.gz LODIJPPDFWAUAA-VPUSJEBWSA-N 1 0 532.081 2.564 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106303967 571411743 /nfs/dbraw/zinc/41/17/43/571411743.db2.gz GQCUOHXKSVVZBF-PMACEKPBSA-N 1 0 518.680 2.592 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106304111 571411918 /nfs/dbraw/zinc/41/19/18/571411918.db2.gz HAWWUOBDSVOKON-RBBKRZOGSA-N 1 0 540.686 2.896 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106304115 571411856 /nfs/dbraw/zinc/41/18/56/571411856.db2.gz HAWWUOBDSVOKON-UNMCSNQZSA-N 1 0 540.686 2.896 50 0 KFAARO COc1ccc2ccccc2c1CC1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=S)N(C)C1=O ZINC000106900255 571418688 /nfs/dbraw/zinc/41/86/88/571418688.db2.gz MJSDHWVSIRVBBF-PZJWPPBQSA-N 1 0 544.677 2.874 50 0 biogenic KFAARO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 ZINC000113476229 562826429 /nfs/dbraw/zinc/82/64/29/562826429.db2.gz GYQYAJJFPNQOOW-UHFFFAOYSA-N 1 0 552.724 2.697 50 0 investigational KFAARO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(CNC(=O)C[NH+]3CCCCC3)c3c(c2OC)OCO3)CCN1C ZINC000114383982 571443359 /nfs/dbraw/zinc/44/33/59/571443359.db2.gz IULJHHOWJRIJBH-RPBOFIJWSA-N 1 0 567.639 2.984 50 0 KFAARO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(CNC(=O)C[NH+]3CCCCC3)c3c(c2OC)OCO3)CCN1C ZINC000146396239 571456764 /nfs/dbraw/zinc/45/67/64/571456764.db2.gz IULJHHOWJRIJBH-DQEYMECFSA-N 1 0 567.639 2.984 50 0 KFAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000169793911 571560577 /nfs/dbraw/zinc/56/05/77/571560577.db2.gz GQCUOHXKSVVZBF-VQTJNVASSA-N 1 0 518.680 2.592 50 0 KFAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCN3CCNC3=O)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000200587306 1059482497 /nfs/dbraw/zinc/48/24/97/1059482497.db2.gz LQPOKHGKGLAWDH-WIOPSUGQSA-N 1 0 536.673 2.851 50 0 KFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](CCCc3ccccc3)C2)nn1 ZINC000208300213 571573660 /nfs/dbraw/zinc/57/36/60/571573660.db2.gz LIMSCNCMIMTZIB-RSXGOPAZSA-N 1 0 520.609 2.801 50 0 KFAARO COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225413860 571781330 /nfs/dbraw/zinc/78/13/30/571781330.db2.gz BQUZYHQDZLECFO-IMFGXOCKSA-N 1 0 522.554 2.536 50 0 KFAARO COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225413910 571781221 /nfs/dbraw/zinc/78/12/21/571781221.db2.gz BQUZYHQDZLECFO-KPFFTGBYSA-N 1 0 522.554 2.536 50 0 KFAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000225421071 571788313 /nfs/dbraw/zinc/78/83/13/571788313.db2.gz SSCVXOLGVKLGSV-LBULEFPHSA-N 1 0 577.770 2.986 50 0 KFAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000225421111 571788262 /nfs/dbraw/zinc/78/82/62/571788262.db2.gz SSCVXOLGVKLGSV-QGTBSMAUSA-N 1 0 577.770 2.986 50 0 KFAARO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc1ccccc1 ZINC000226864879 1059550110 /nfs/dbraw/zinc/55/01/10/1059550110.db2.gz RMRQGSRUGRBWCV-CNKGAEGWSA-N 1 0 659.784 2.543 50 0 KFAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21 ZINC000227019416 572147549 /nfs/dbraw/zinc/14/75/49/572147549.db2.gz RCYUEQQSQCSCIV-GQAKTHPZSA-N 1 0 506.868 2.549 50 0 KFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000230034893 572180557 /nfs/dbraw/zinc/18/05/57/572180557.db2.gz ZAYKJWBAWZDUMM-XUZZJYLKSA-N 1 0 516.708 2.976 50 0 KFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H]4CCCC[C@H]43)cc2)CC1 ZINC000230034902 572180640 /nfs/dbraw/zinc/18/06/40/572180640.db2.gz ZAYKJWBAWZDUMM-ZJSXRUAMSA-N 1 0 516.708 2.976 50 0 KFAARO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccccc1 ZINC000242701489 572199033 /nfs/dbraw/zinc/19/90/33/572199033.db2.gz WFUSENHCPDYHMT-KCHLEUMXSA-N 1 0 599.736 2.555 50 0 KFAARO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccccc1 ZINC000242701492 572199054 /nfs/dbraw/zinc/19/90/54/572199054.db2.gz WFUSENHCPDYHMT-PKTNWEFCSA-N 1 0 599.736 2.555 50 0 KFAARO [NH3+]CCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C=Cc2ccccc21 ZINC000245189257 572201300 /nfs/dbraw/zinc/20/13/00/572201300.db2.gz HTQFVUMGNBUABW-UHFFFAOYSA-N 1 0 525.646 2.625 50 0 KFAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235082 572209823 /nfs/dbraw/zinc/20/98/23/572209823.db2.gz HNCICGFNJFYBRP-XPVYSAHSSA-N 1 0 516.642 2.916 50 0 KFAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235971 572210150 /nfs/dbraw/zinc/21/01/50/572210150.db2.gz PJFQYXJEWPMYMV-ZCOUOSKHSA-N 1 0 534.682 2.623 50 0 KFAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000245256769 572222724 /nfs/dbraw/zinc/22/27/24/572222724.db2.gz SIHWJLLANVMQEL-SHJMPOBASA-N 1 0 509.562 2.812 50 0 KFAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000245256770 572222679 /nfs/dbraw/zinc/22/26/79/572222679.db2.gz SIHWJLLANVMQEL-XPVYSAHSSA-N 1 0 509.562 2.812 50 0 KFAARO Cc1sc2ncn(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000245295476 562881582 /nfs/dbraw/zinc/88/15/82/562881582.db2.gz GDMKWXTWPZWAIF-IYWMVGAKSA-N 1 0 551.779 2.917 50 0 KFAARO CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@H]4[N@H+](C)C3)(C(C)C)C(=O)N12 ZINC000245327374 572233986 /nfs/dbraw/zinc/23/39/86/572233986.db2.gz PBUNVLRHZGSROC-CMQZYTNISA-N 1 0 577.726 2.521 50 0 in-vitro KFAARO CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@@H]4[N@H+](C)C3)(C(C)C)C(=O)N12 ZINC000245327375 572233943 /nfs/dbraw/zinc/23/39/43/572233943.db2.gz PBUNVLRHZGSROC-LCQWQHRSSA-N 1 0 577.726 2.521 50 0 in-vitro KFAARO CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c65)C[C@@H]4[N@H+](C)C3)(C(C)C)C(=O)N12 ZINC000245327376 572234030 /nfs/dbraw/zinc/23/40/30/572234030.db2.gz PBUNVLRHZGSROC-QUCGRKRESA-N 1 0 577.726 2.521 50 0 in-vitro KFAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000245327787 572234408 /nfs/dbraw/zinc/23/44/08/572234408.db2.gz RCYUEQQSQCSCIV-FDFFUELDSA-N 1 0 506.868 2.549 50 0 KFAARO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc1ccccc1 ZINC000245327818 572234415 /nfs/dbraw/zinc/23/44/15/572234415.db2.gz RMRQGSRUGRBWCV-OVOJMXFRSA-N 1 0 659.784 2.543 50 0 KFAARO CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)c2C(N)=O)C1 ZINC000248096766 562881633 /nfs/dbraw/zinc/88/16/33/562881633.db2.gz GRGRPDIBGVHZCK-QGZVFWFLSA-N 1 0 520.677 2.665 50 0 KFAARO CC[C@H](C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000248240925 572256878 /nfs/dbraw/zinc/25/68/78/572256878.db2.gz ONIDEQMXMMZNJK-BULFRSBZSA-N 1 0 504.678 2.919 50 0 KFAARO CC[C@H](C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000248240928 572256888 /nfs/dbraw/zinc/25/68/88/572256888.db2.gz ONIDEQMXMMZNJK-MTNREXPMSA-N 1 0 504.678 2.919 50 0 KFAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)C1=O ZINC000248289399 572257736 /nfs/dbraw/zinc/25/77/36/572257736.db2.gz JFSACOGEXOVPMC-AHQSTGFLSA-N 1 0 528.030 2.976 50 0 KFAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)C1=O ZINC000248289401 572257719 /nfs/dbraw/zinc/25/77/19/572257719.db2.gz JFSACOGEXOVPMC-VOFKYMGDSA-N 1 0 528.030 2.976 50 0 KFAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCC[NH+](C)C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253396995 572284296 /nfs/dbraw/zinc/28/42/96/572284296.db2.gz BIOJLQSSRRDDJK-CUNXSJBXSA-N 1 0 554.688 2.977 50 0 KFAARO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000253412091 572287943 /nfs/dbraw/zinc/28/79/43/572287943.db2.gz PVBCZTCFSFRZCF-FDFHNCONSA-N 1 0 500.640 2.670 50 0 KFAARO COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CC[NH+](CC(C)C)CC2)OCO4)cc(OC)c1OC ZINC000257177749 1059444879 /nfs/dbraw/zinc/44/48/79/1059444879.db2.gz BHMKBWXNVGUCEQ-RGVCCXDYSA-N 1 0 556.656 2.645 50 0 KFAARO Cn1c2ccc(S(=O)(=O)N3C[C@@H]4CCC[N@@H+]5CCC[C@H]([C@H]3CCCC(=O)NCC3CC3)[C@H]45)cc2oc1=O ZINC000257178600 1059444931 /nfs/dbraw/zinc/44/49/31/1059444931.db2.gz BXVRGLDMPMFPOD-XSWHYFMGSA-N 1 0 530.691 2.692 50 0 KFAARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CCNC(=O)CC2)c1OC ZINC000257181543 1059044948 /nfs/dbraw/zinc/04/49/48/1059044948.db2.gz NIKBCZUWQQIGDZ-JOCHJYFZSA-N 1 0 509.651 2.556 50 0 KFAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCN(c4ccccn4)CC3)CCNC(=O)CC2)c1OC ZINC000257181544 1059044789 /nfs/dbraw/zinc/04/47/89/1059044789.db2.gz NIKBCZUWQQIGDZ-QFIPXVFZSA-N 1 0 509.651 2.556 50 0 KFAARO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)CC1 ZINC000257181958 1059044606 /nfs/dbraw/zinc/04/46/06/1059044606.db2.gz OFCGFPXVHLNUMW-HSZRJFAPSA-N 1 0 506.713 2.610 50 0 KFAARO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)CC1 ZINC000257181959 1059445875 /nfs/dbraw/zinc/44/58/75/1059445875.db2.gz OFCGFPXVHLNUMW-QHCPKHFHSA-N 1 0 506.713 2.610 50 0 KFAARO CCN(C(=O)CCC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2C(=O)NCc2cccc(OC)c2)CC1)c1ccccc1 ZINC000257183185 1059045317 /nfs/dbraw/zinc/04/53/17/1059045317.db2.gz HHEUIJKTKHBCOT-VPUSJEBWSA-N 1 0 536.673 2.571 50 0 KFAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CCN(c2ncccn2)CC1 ZINC000257183332 1059445909 /nfs/dbraw/zinc/44/59/09/1059445909.db2.gz HJQYSTISJQOGQS-FCRYVSRXSA-N 1 0 517.678 2.706 50 0 KFAARO O=C(NCCN1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCN(C(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257184727 1059447855 /nfs/dbraw/zinc/44/78/55/1059447855.db2.gz IUXIGUDSQUWPHA-DEOSSOPVSA-N 1 0 511.711 2.502 50 0 KFAARO O=C(NCCN1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257184728 1059448782 /nfs/dbraw/zinc/44/87/82/1059448782.db2.gz IUXIGUDSQUWPHA-XMMPIXPASA-N 1 0 511.711 2.502 50 0 KFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 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COc1cccc2c1OCCCn1cc(nn1)CC[N@H+](Cc1cccc(OCCO)c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856247 1059494731 /nfs/dbraw/zinc/49/47/31/1059494731.db2.gz URGVBPUFFYOPDQ-HKBQPEDESA-N 1 0 642.757 2.643 50 0 KFAARO C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952856453 1059497435 /nfs/dbraw/zinc/49/74/35/1059497435.db2.gz GIDBCMIDOOBFKQ-OATBXSGESA-N 1 0 699.897 2.675 50 0 KFAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1ccc3ccccc3n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952856457 1059497487 /nfs/dbraw/zinc/49/74/87/1059497487.db2.gz GKCGDTGTPHSPFS-OAEGHTPASA-N 1 0 718.896 2.870 50 0 KFAARO CCN1CC(=O)N[C@H]2CN(C(=O)CC[NH3+])CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856537 1059498578 /nfs/dbraw/zinc/49/85/78/1059498578.db2.gz LSFREMBSVXESCT-UIOOFZCWSA-N 1 0 538.645 2.693 50 0 KFAARO CCc1oc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3ccc(cc3OC)C(=O)NCCC2)cc1C[NH+]1CCCC1 ZINC000952856556 1059499351 /nfs/dbraw/zinc/49/93/51/1059499351.db2.gz NDFRUVXWMJOPMA-QHCPKHFHSA-N 1 0 625.767 2.844 50 0 KFAARO CCN1CC(=O)N[C@H]2CN(C(=O)C[NH+](C)C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856774 1059500738 /nfs/dbraw/zinc/50/07/38/1059500738.db2.gz DYSDMCGMZLMLQB-SVBPBHIXSA-N 1 0 552.672 2.906 50 0 KFAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](CC=C(C)C)CCCNC(=O)CC2 ZINC000952856974 1059501373 /nfs/dbraw/zinc/50/13/73/1059501373.db2.gz KQWOKAFXHKRSQW-QFIPXVFZSA-N 1 0 516.683 2.538 50 0 KFAARO COCCN1CC(=O)N[C@H]2C[N@@H+](C3CCN(C(=O)C4CC4)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857227 1059502633 /nfs/dbraw/zinc/50/26/33/1059502633.db2.gz RPODLGOXCHKVDL-NYDCQLBNSA-N 1 0 634.774 2.995 50 0 KFAARO CCN1CC(=O)N[C@H]2CN(C(=O)C[NH2+]C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952857274 1059503469 /nfs/dbraw/zinc/50/34/69/1059503469.db2.gz LDVKYUIZWQXKNB-UIOOFZCWSA-N 1 0 538.645 2.564 50 0 KFAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1ccc(C)o1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952857276 1059503422 /nfs/dbraw/zinc/50/34/22/1059503422.db2.gz QTKJYHIAORXAOH-HAFIXEQPSA-N 1 0 667.808 2.580 50 0 KFAARO C[NH+]1CCC(CC(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952857304 1059503317 /nfs/dbraw/zinc/50/33/17/1059503317.db2.gz RDAVNTKZZOEJQY-MFMCTBQISA-N 1 0 516.642 2.875 50 0 KFAARO O=C(C[NH+]1CCCC1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952857337 1059504068 /nfs/dbraw/zinc/50/40/68/1059504068.db2.gz PEPNTIXASVLSTN-YTMVLYRLSA-N 1 0 512.614 2.915 50 0 KFAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1ccnc(C(C)C)n1)CCCNC(=O)CC2 ZINC000952857430 1059504750 /nfs/dbraw/zinc/50/47/50/1059504750.db2.gz YNDJTISXAWLNHB-QHCPKHFHSA-N 1 0 582.746 2.685 50 0 KFAARO C[NH+](C)CCCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952857462 1059504705 /nfs/dbraw/zinc/50/47/05/1059504705.db2.gz UOEGBUCSCBFBOK-UIOOFZCWSA-N 1 0 596.132 2.588 50 0 KFAARO COc1ccccc1C[N@@H+]1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(OC)c(c2)OCc2cn(nn2)CCC1 ZINC000952857500 1059505218 /nfs/dbraw/zinc/50/52/18/1059505218.db2.gz IPKGFKCYAIIZGO-NPPOLANGSA-N 1 0 693.846 2.687 50 0 KFAARO CC(=O)N1CCC([N@@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952857675 1059505826 /nfs/dbraw/zinc/50/58/26/1059505826.db2.gz USTALBZBRBSGOK-BDYUSTAISA-N 1 0 520.630 2.569 50 0 KFAARO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](CCn3cnnc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857840 1059507111 /nfs/dbraw/zinc/50/71/11/1059507111.db2.gz WFBDPCKHVCXSPP-RRPNLBNLSA-N 1 0 548.644 2.639 50 0 KFAARO C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCC[N@H+](Cc2cnc(C3CCCCC3)nc2)CCCCN(C)C1=O ZINC000952857898 1059507249 /nfs/dbraw/zinc/50/72/49/1059507249.db2.gz XKVUYLFYBSFJPU-QFIPXVFZSA-N 1 0 580.730 2.988 50 0 KFAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1ccc3c(c1)CCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952858013 1059507620 /nfs/dbraw/zinc/50/76/20/1059507620.db2.gz ZFZLPQNJKYVKMI-DFLRLQOUSA-N 1 0 705.857 2.613 50 0 KFAARO COCCCN1CC(=O)N[C@H]2C[NH2+]CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952858035 1059507820 /nfs/dbraw/zinc/50/78/20/1059507820.db2.gz ZTCYFTOAILTPMD-BJKOFHAPSA-N 1 0 511.619 2.662 50 0 KFAARO COCCCN1CC(=O)N[C@H]2CN(C(=O)C[NH+](C)C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952858084 1059507776 /nfs/dbraw/zinc/50/77/76/1059507776.db2.gz UIKLVPJXHWERKE-IZZNHLLZSA-N 1 0 554.688 2.504 50 0 KFAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)CCCNC(=O)CC2 ZINC000952858569 1059508339 /nfs/dbraw/zinc/50/83/39/1059508339.db2.gz DETHHOXGJDCYCR-QFIPXVFZSA-N 1 0 594.713 2.755 50 0 KFAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1cn3cc(C)ccc3n1)CCCNC(=O)CC2 ZINC000952858973 1059509146 /nfs/dbraw/zinc/50/91/46/1059509146.db2.gz KVGLHGDSLJBVPZ-DEOSSOPVSA-N 1 0 592.741 2.728 50 0 KFAARO C[NH+](C)CCCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952859386 1059510266 /nfs/dbraw/zinc/51/02/66/1059510266.db2.gz UOEGBUCSCBFBOK-IZZNHLLZSA-N 1 0 596.132 2.588 50 0 KFAARO COc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1C ZINC000952861629 1059511411 /nfs/dbraw/zinc/51/14/11/1059511411.db2.gz FZSDMYIYPZEARW-SANMLTNESA-N 1 0 530.673 2.667 50 0 KFAARO COc1cc2c(cc1C[N@@H+]1CCCCN(C)C(=O)[C@H](C)NC(=O)COc3ccc(cc3OC)C(=O)NCCC1)CCC2 ZINC000952861657 1059511815 /nfs/dbraw/zinc/51/18/15/1059511815.db2.gz GMSXUBCGOLXOBW-QFIPXVFZSA-N 1 0 580.726 2.950 50 0 KFAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1cnn(-c3ccccc3OC)c1)CCCNC(=O)CC2 ZINC000952861758 1059511748 /nfs/dbraw/zinc/51/17/48/1059511748.db2.gz AICINHZJWNAUJX-VWLOTQADSA-N 1 0 634.778 2.966 50 0 KFAARO C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCC[N@H+](Cc2nn(C)c3cccc(Cl)c23)CCCCN(C)C1=O ZINC000952861853 1059512570 /nfs/dbraw/zinc/51/25/70/1059512570.db2.gz IFDQECMRICLCPM-IBGZPJMESA-N 1 0 585.105 2.690 50 0 KFAARO Cc1cc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)ccc1F ZINC000952862144 1059514305 /nfs/dbraw/zinc/51/43/05/1059514305.db2.gz GFYJNYVWJPAGSY-SANMLTNESA-N 1 0 518.637 2.798 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3cccc(F)c3F)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952862226 1059514362 /nfs/dbraw/zinc/51/43/62/1059514362.db2.gz NAJFFRAFRCGTAL-DEOSSOPVSA-N 1 0 522.600 2.629 50 0 KFAARO COc1ccc(C[N@@H+]2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CCc3ccc(c(OC)c3)OCC(=O)NCCC2)c(Cl)c1OC ZINC000952862314 1059514742 /nfs/dbraw/zinc/51/47/42/1059514742.db2.gz IFYBNJZARSQTFT-ZDMRONSHSA-N 1 0 762.345 2.992 50 0 KFAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](CC(C)(C)N3CCOCC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862387 1059515480 /nfs/dbraw/zinc/51/54/80/1059515480.db2.gz IXBSMOOKDPSFQA-BDYUSTAISA-N 1 0 536.673 2.669 50 0 KFAARO CNc1nc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc(C)[nH+]1 ZINC000952862402 1059515346 /nfs/dbraw/zinc/51/53/46/1059515346.db2.gz MLKNIEXKYANNKL-LSYYVWMOSA-N 1 0 604.708 2.939 50 0 KFAARO COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862527 1059516136 /nfs/dbraw/zinc/51/61/36/1059516136.db2.gz PCFTYJHZDFJIAI-DNMDQSTESA-N 1 0 754.929 2.598 50 0 KFAARO Cc1cc(F)ccc1C[NH+]1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952862640 1059516586 /nfs/dbraw/zinc/51/65/86/1059516586.db2.gz CFRQEGYHQSXKAD-SANMLTNESA-N 1 0 518.637 2.798 50 0 KFAARO COc1ccccc1-n1cc(C[N@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3ccc(cc3OC)C(=O)NCCC2)cn1 ZINC000952862660 1059517109 /nfs/dbraw/zinc/51/71/09/1059517109.db2.gz CRHCNGSFDZNVEA-QHCPKHFHSA-N 1 0 606.724 2.647 50 0 KFAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1cnn(-c3ccccc3C)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952862684 1059517192 /nfs/dbraw/zinc/51/71/92/1059517192.db2.gz CWPMCKMRZMBVDM-JNEBWJFXSA-N 1 0 747.938 2.816 50 0 KFAARO COc1cc2c(cc1C[N@@H+]1CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC1)OCCCO2 ZINC000952862871 1059518431 /nfs/dbraw/zinc/51/84/31/1059518431.db2.gz RSYIZMZLVCBIAJ-DEOSSOPVSA-N 1 0 640.778 2.942 50 0 KFAARO CN1CC(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952862920 1059518389 /nfs/dbraw/zinc/51/83/89/1059518389.db2.gz SHNPLQDVGJBFIY-RRPNLBNLSA-N 1 0 534.657 2.582 50 0 KFAARO CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCC[N@H+](Cc2cnc(C3CCCCC3)nc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952863003 1059518984 /nfs/dbraw/zinc/51/89/84/1059518984.db2.gz OXKBZHUBPKXBTN-NZELRHCUSA-N 1 0 707.917 2.761 50 0 KFAARO COCCN1CC(=O)N[C@H]2CN(c3cc(C)[nH+]c(N4CCCCC4)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863173 1059520172 /nfs/dbraw/zinc/52/01/72/1059520172.db2.gz UIMVRWVVLWWZFG-NSOVKSMOSA-N 1 0 601.708 2.955 50 0 KFAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)cc1 ZINC000952863220 1059520747 /nfs/dbraw/zinc/52/07/47/1059520747.db2.gz UCIQMPGXKRBYPW-HFZDXXHNSA-N 1 0 600.680 2.529 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952863234 1059520675 /nfs/dbraw/zinc/52/06/75/1059520675.db2.gz UHGNPZVWDAUGBM-PPJFHAJBSA-N 1 0 512.658 2.864 50 0 KFAARO COCCOCC[N@@H+]1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952863274 1059520618 /nfs/dbraw/zinc/52/06/18/1059520618.db2.gz HOSFPVZZIXRZET-LOSJGSFVSA-N 1 0 511.619 2.612 50 0 KFAARO CSc1ccc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)cc1 ZINC000952863319 1059521357 /nfs/dbraw/zinc/52/13/57/1059521357.db2.gz DPFQAHLSJKLPIV-FQEVSTJZSA-N 1 0 542.702 2.872 50 0 KFAARO COCCN1CC(=O)N[C@H]2C[N@@H+](C3CSCCSC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863328 1059521415 /nfs/dbraw/zinc/52/14/15/1059521415.db2.gz HZEZZSSMLKODJM-DQEYMECFSA-N 1 0 558.726 2.510 50 0 KFAARO CC[N@@H+]1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863454 1059521749 /nfs/dbraw/zinc/52/17/49/1059521749.db2.gz AZUXWJBWTHVGRL-DQEYMECFSA-N 1 0 512.607 2.526 50 0 KFAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3cccn(C)c3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863498 1059489659 /nfs/dbraw/zinc/48/96/59/1059489659.db2.gz JZTZIIIGNCUIQW-IZZNHLLZSA-N 1 0 530.625 2.848 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3ccc(F)cc3F)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952863756 1059525141 /nfs/dbraw/zinc/52/51/41/1059525141.db2.gz YJEPHQXHAIGPAE-VWLOTQADSA-N 1 0 522.600 2.629 50 0 KFAARO O=C(C[N@@H+]1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O)N1CCCCC1 ZINC000952863895 1059525783 /nfs/dbraw/zinc/52/57/83/1059525783.db2.gz ZPSUOCINSIVEJK-LMSSTIIKSA-N 1 0 502.615 2.629 50 0 KFAARO CCCCc1ncc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)[nH]1 ZINC000952864001 1059526429 /nfs/dbraw/zinc/52/64/29/1059526429.db2.gz KLIMWRDDJDQJHK-QHCPKHFHSA-N 1 0 584.762 2.838 50 0 KFAARO Cc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)s1 ZINC000952864056 1059527024 /nfs/dbraw/zinc/52/70/24/1059527024.db2.gz KVLQVYXRQFZEOG-DEOSSOPVSA-N 1 0 506.676 2.720 50 0 KFAARO O=C1CCNC(=O)c2cc(OCC3CC3)cc(c2)Oc2cccc(c2)CO[C@@H]2CC[N@@H+](CCCO)C[C@@H]2N1 ZINC000952864079 1059527144 /nfs/dbraw/zinc/52/71/44/1059527144.db2.gz XRBCQOBEZCTWMK-RRPNLBNLSA-N 1 0 523.630 2.859 50 0 KFAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1cnc(C(C)C)nc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952864222 1059528146 /nfs/dbraw/zinc/52/81/46/1059528146.db2.gz ZABNNUKWTYKQIV-MPZGHSIBSA-N 1 0 707.877 2.592 50 0 KFAARO C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952864277 1059528837 /nfs/dbraw/zinc/52/88/37/1059528837.db2.gz NACIRKKBWAXFMX-DYKRBSAESA-N 1 0 711.908 2.773 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3cccc4ncccc34)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952864365 1059529525 /nfs/dbraw/zinc/52/95/25/1059529525.db2.gz VDPWIPVKVANMAK-NDEPHWFRSA-N 1 0 537.668 2.899 50 0 KFAARO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](C3CCN(C(C)=O)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864454 1059529360 /nfs/dbraw/zinc/52/93/60/1059529360.db2.gz HWRWISOPLMHGBK-LSYYVWMOSA-N 1 0 522.646 2.629 50 0 KFAARO CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CCNC1=O ZINC000952864584 1059530458 /nfs/dbraw/zinc/53/04/58/1059530458.db2.gz JPIQLQPBYQQJKB-KLYZNTHZSA-N 1 0 710.236 2.568 50 0 KFAARO CCCc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)o1 ZINC000952864672 1059530523 /nfs/dbraw/zinc/53/05/23/1059530523.db2.gz OCCBGELZGKZVKY-SANMLTNESA-N 1 0 518.662 2.896 50 0 KFAARO COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(C3CC[NH2+]CC3)ccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864716 1059531286 /nfs/dbraw/zinc/53/12/86/1059531286.db2.gz PKDSHNJDHIIBJG-HKBQPEDESA-N 1 0 680.810 2.774 50 0 KFAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1ccc(N3CCCC3=O)cc1)CCCNC(=O)CC2 ZINC000952864826 1059531763 /nfs/dbraw/zinc/53/17/63/1059531763.db2.gz PMEZBFWOVCRGSU-VWLOTQADSA-N 1 0 621.779 2.899 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3cc(F)cc(F)c3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952864871 1059532600 /nfs/dbraw/zinc/53/26/00/1059532600.db2.gz NBFGGOSQLYOIEG-VWLOTQADSA-N 1 0 522.600 2.629 50 0 KFAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CC1=O ZINC000952864877 1059532524 /nfs/dbraw/zinc/53/25/24/1059532524.db2.gz RNQGBEYXMJZXPP-DEOSSOPVSA-N 1 0 518.658 2.713 50 0 KFAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CC1=O ZINC000952864879 1059532452 /nfs/dbraw/zinc/53/24/52/1059532452.db2.gz RNQGBEYXMJZXPP-XMMPIXPASA-N 1 0 518.658 2.713 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3ccc4ncccc4c3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952865038 1059533717 /nfs/dbraw/zinc/53/37/17/1059533717.db2.gz MOMHWQOFTDCSJI-NDEPHWFRSA-N 1 0 537.668 2.899 50 0 KFAARO CN1CC(=O)N[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865089 1059534309 /nfs/dbraw/zinc/53/43/09/1059534309.db2.gz NRTYOWDCNCOESC-RRPNLBNLSA-N 1 0 536.673 2.828 50 0 KFAARO Cc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1 ZINC000952865157 1059534237 /nfs/dbraw/zinc/53/42/37/1059534237.db2.gz PLDDCQGKHIJVGI-SANMLTNESA-N 1 0 500.647 2.659 50 0 KFAARO COCCN1CC(=O)N[C@H]2C[N@@H+](C3Cc4ccccc4C3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865311 1059535391 /nfs/dbraw/zinc/53/53/91/1059535391.db2.gz WEJAAKKETJJEPI-VMPREFPWSA-N 1 0 542.636 2.829 50 0 KFAARO CN1CCNC(=O)C[C@H]2C[N@H+](Cc3ccc(C4CCCCC4)s3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952865324 1059535466 /nfs/dbraw/zinc/53/54/66/1059535466.db2.gz PASUOXSDYBJAEX-SQJMNOBHSA-N 1 0 563.728 2.862 50 0 KFAARO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](C3CCN(C(=O)c4cnccn4)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865521 1059535954 /nfs/dbraw/zinc/53/59/54/1059535954.db2.gz PWXQZXONBAEZDL-FIBWVYCGSA-N 1 0 586.693 2.713 50 0 KFAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)CN3CCOCC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865529 1059536724 /nfs/dbraw/zinc/53/67/24/1059536724.db2.gz ZSQHJMMNORDRTO-CONSDPRKSA-N 1 0 639.794 2.865 50 0 KFAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1c[nH]nc1-c1cccc(F)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865622 1059536858 /nfs/dbraw/zinc/53/68/58/1059536858.db2.gz TVEHKJAKQPURJO-BTUWKKTJSA-N 1 0 751.901 2.851 50 0 KFAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952865658 1059536584 /nfs/dbraw/zinc/53/65/84/1059536584.db2.gz UUEZXWGQOKFQBJ-VWLOTQADSA-N 1 0 552.626 2.952 50 0 KFAARO COc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(C)c1 ZINC000952865775 1059537429 /nfs/dbraw/zinc/53/74/29/1059537429.db2.gz SRPGRVUQRNZSQR-MHZLTWQESA-N 1 0 530.673 2.667 50 0 KFAARO COCCN1CC(=O)N[C@H]2C[N@@H+](C3CCN(C(C)=O)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952865818 1059538122 /nfs/dbraw/zinc/53/81/22/1059538122.db2.gz TXSJEPLVAVTUEO-IZEXYCQBSA-N 1 0 608.736 2.605 50 0 KFAARO CCc1ccc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)o1 ZINC000952865934 1059539397 /nfs/dbraw/zinc/53/93/97/1059539397.db2.gz YCYJUQBSOPARNN-QFIPXVFZSA-N 1 0 556.704 2.927 50 0 KFAARO COCCCN1CC(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952866040 1059539758 /nfs/dbraw/zinc/53/97/58/1059539758.db2.gz XRBWVPSMIJKHAU-URLMMPGGSA-N 1 0 622.763 2.997 50 0 KFAARO CCSc1ncc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)cn1 ZINC000952866053 1059540303 /nfs/dbraw/zinc/54/03/03/1059540303.db2.gz YHGPUYRXHYHECA-QFIPXVFZSA-N 1 0 600.786 2.674 50 0 KFAARO COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1nc3c(s1)CCCC3)CCCNC2=O ZINC000952868122 1059522569 /nfs/dbraw/zinc/52/25/69/1059522569.db2.gz ZBWBSWSBZSTDHY-FQEVSTJZSA-N 1 0 571.744 2.788 50 0 KFAARO COc1cc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)cc2c1OCO2 ZINC000952869067 1059523683 /nfs/dbraw/zinc/52/36/83/1059523683.db2.gz VUQLMLALACJVIW-QFIPXVFZSA-N 1 0 612.724 2.509 50 0 KFAARO COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952869126 1059523889 /nfs/dbraw/zinc/52/38/89/1059523889.db2.gz IMDUAUSWPDLDLP-DNMDQSTESA-N 1 0 754.929 2.598 50 0 KFAARO [NH3+][C@]1(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCc2c1ccc(F)c2Br ZINC000952881049 1059525069 /nfs/dbraw/zinc/52/50/69/1059525069.db2.gz PZIUWYUKYSEEDH-HSZRJFAPSA-N 1 0 502.388 2.781 50 0 KFAARO [NH3+][C@@]1(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCc2c1ccc(F)c2Br ZINC000952881061 1059524892 /nfs/dbraw/zinc/52/48/92/1059524892.db2.gz PZIUWYUKYSEEDH-QHCPKHFHSA-N 1 0 502.388 2.781 50 0 KFAARO COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952969456 1059541698 /nfs/dbraw/zinc/54/16/98/1059541698.db2.gz JOVBQFYRTPKVKC-WEAWZCMZSA-N 1 0 657.816 2.862 50 0 KFAARO CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC[N@H+](Cc2ccc3c(c2)CCO3)CCNC1=O ZINC000952972949 1059541507 /nfs/dbraw/zinc/54/15/07/1059541507.db2.gz QUSLLUHFPTVCCK-AREMUKBSSA-N 1 0 564.662 2.750 50 0 KFAARO Cc1ccc2cc1OCCCn1cc(nn1)CC[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952975834 1059542314 /nfs/dbraw/zinc/54/23/14/1059542314.db2.gz PFPUYFFIZDCWRQ-UIQUCHBDSA-N 1 0 564.731 2.502 50 0 KFAARO