smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000885986 551558455 /nfs/dbraw/zinc/55/84/55/551558455.db2.gz LJSHFAOBZGPGLA-SANMLTNESA-N 1 1 553.639 2.732 40 0 KFABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000885988 551558512 /nfs/dbraw/zinc/55/85/12/551558512.db2.gz LJSHFAOBZGPGLA-AREMUKBSSA-N 1 1 553.639 2.732 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NCc1ccccc1)OCCO3 ZINC000000891248 551562882 /nfs/dbraw/zinc/56/28/82/551562882.db2.gz XLXKYTMZGUODGF-UHFFFAOYSA-N 1 1 508.644 2.898 40 0 KFABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC ZINC000000895541 551563953 /nfs/dbraw/zinc/56/39/53/551563953.db2.gz CESMPGLYHXDPET-UHFFFAOYSA-N 1 1 500.621 2.737 40 0 KFABMO COc1ccc(C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000003920420 552422289 /nfs/dbraw/zinc/42/22/89/552422289.db2.gz KQXVERRYBYGQJZ-WRPDIKACSA-N 1 1 656.869 2.524 40 0 in-man KFABMO 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 ZINC000003929793 552422790 /nfs/dbraw/zinc/42/27/90/552422790.db2.gz PBUNVLRHZGSROC-VTIMJTGVSA-N 1 1 577.726 2.521 40 0 world KFABMO 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 ZINC000003947494 552423453 /nfs/dbraw/zinc/42/34/53/552423453.db2.gz DEQITUUQPICUMR-KTWGCUQZSA-N 1 1 611.743 2.717 40 0 KFABMO 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 ZINC000003947495 552423371 /nfs/dbraw/zinc/42/33/71/552423371.db2.gz DEQITUUQPICUMR-NNTHOFKBSA-N 1 1 611.743 2.717 40 0 KFABMO 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 ZINC000003947496 552423339 /nfs/dbraw/zinc/42/33/39/552423339.db2.gz DEQITUUQPICUMR-UZSOAQTJSA-N 1 1 611.743 2.717 40 0 KFABMO 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 ZINC000003947497 552423431 /nfs/dbraw/zinc/42/34/31/552423431.db2.gz DEQITUUQPICUMR-ZLNFIONPSA-N 1 1 611.743 2.717 40 0 KFABMO CC[C@H](C)[C@H]1CN2CCC[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 ZINC000004212849 552449474 /nfs/dbraw/zinc/44/94/74/552449474.db2.gz OPAVODIYXVLOOM-XAOZLXPPSA-N 1 1 563.743 2.994 40 0 in-man KFABMO CC[C@H](C)[C@H]1C[NH+]2CCC[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 ZINC000004212849 552449471 /nfs/dbraw/zinc/44/94/71/552449471.db2.gz OPAVODIYXVLOOM-XAOZLXPPSA-N 1 1 563.743 2.994 40 0 in-man KFABMO O=C(CCCN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCC[NH+]3CCOCC3)cc2)cc1 ZINC000004958208 552490421 /nfs/dbraw/zinc/49/04/21/552490421.db2.gz CCJKYVZNQVNCTG-UHFFFAOYSA-N 1 1 558.701 2.621 40 0 KFABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC ZINC000006074478 552523165 /nfs/dbraw/zinc/52/31/65/552523165.db2.gz MRZVECXFESVECI-HHHXNRCGSA-N 1 1 597.692 2.703 40 0 KFABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC ZINC000006074883 552525500 /nfs/dbraw/zinc/52/55/00/552525500.db2.gz MRZVECXFESVECI-MHZLTWQESA-N 1 1 597.692 2.703 40 0 KFABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006136123 552540953 /nfs/dbraw/zinc/54/09/53/552540953.db2.gz YCMCDSDLSDESFV-UHFFFAOYSA-N 1 1 538.626 2.965 40 0 KFABMO COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000006239433 552572642 /nfs/dbraw/zinc/57/26/42/552572642.db2.gz JZEDVVHSAQEDCJ-UHFFFAOYSA-N 1 1 554.669 2.873 40 0 KFABMO COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000006239755 552573167 /nfs/dbraw/zinc/57/31/67/552573167.db2.gz VDWONABVBGOMDT-UHFFFAOYSA-N 1 1 538.670 2.907 40 0 KFABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000006240106 552573191 /nfs/dbraw/zinc/57/31/91/552573191.db2.gz FAECDAONKAJFIK-UHFFFAOYSA-N 1 1 582.723 2.958 40 0 KFABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC ZINC000006240107 552573156 /nfs/dbraw/zinc/57/31/56/552573156.db2.gz JKKJKZYZVTXKBD-UHFFFAOYSA-N 1 1 568.696 2.916 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)NCCC[NH+]1CCOCC1)OCCO3 ZINC000006445971 552588358 /nfs/dbraw/zinc/58/83/58/552588358.db2.gz YXBFDXLLBAPYNV-UHFFFAOYSA-N 1 1 552.653 2.627 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000006445980 552588389 /nfs/dbraw/zinc/58/83/89/552588389.db2.gz XTVWGMZGHDKVKH-UHFFFAOYSA-N 1 1 538.626 2.585 40 0 KFABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000007060432 552982858 /nfs/dbraw/zinc/98/28/58/552982858.db2.gz DBMFIDQOCUGPNX-NDEPHWFRSA-N 1 1 579.677 2.839 40 0 KFABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000007060450 552982839 /nfs/dbraw/zinc/98/28/39/552982839.db2.gz DBMFIDQOCUGPNX-MUUNZHRXSA-N 1 1 579.677 2.839 40 0 KFABMO COc1ccc(Cn2nnnc2CN(CCC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000012717322 553420440 /nfs/dbraw/zinc/42/04/40/553420440.db2.gz XYVKRRQMMSSEOD-UHFFFAOYSA-N 1 1 517.634 2.604 40 0 KFABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1C ZINC000012832958 553421203 /nfs/dbraw/zinc/42/12/03/553421203.db2.gz XZUIWKMYWMBBCE-UHFFFAOYSA-N 1 1 501.635 2.904 40 0 KFABMO COc1ccc(Cn2nnnc2CN(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000012832974 553421146 /nfs/dbraw/zinc/42/11/46/553421146.db2.gz CRFAGOMPOHMCJD-UHFFFAOYSA-N 1 1 531.661 2.913 40 0 KFABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000012833049 553421099 /nfs/dbraw/zinc/42/10/99/553421099.db2.gz OELXHLXRUGKAHS-UHFFFAOYSA-N 1 1 501.635 2.904 40 0 KFABMO COc1ccc(Cn2nnnc2CN(CCC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000012833059 553421115 /nfs/dbraw/zinc/42/11/15/553421115.db2.gz DBBIKLKKBYJDMW-UHFFFAOYSA-N 1 1 531.661 2.913 40 0 KFABMO COc1ccc(Cn2nnnc2CN(CCC[NH+]2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000012833141 553421197 /nfs/dbraw/zinc/42/11/97/553421197.db2.gz DPVKGJFIAMJBGQ-UHFFFAOYSA-N 1 1 531.661 2.913 40 0 KFABMO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499112 553465293 /nfs/dbraw/zinc/46/52/93/553465293.db2.gz QSDAGEVSDRFICS-RUZDIDTESA-N 1 1 511.671 2.699 40 0 KFABMO COCCn1nnnc1[C@@H](C(C)C)[N@H+](CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499112 553465292 /nfs/dbraw/zinc/46/52/92/553465292.db2.gz QSDAGEVSDRFICS-RUZDIDTESA-N 1 1 511.671 2.699 40 0 KFABMO COCCn1nnnc1[C@@H](C(C)C)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499112 553465290 /nfs/dbraw/zinc/46/52/90/553465290.db2.gz QSDAGEVSDRFICS-RUZDIDTESA-N 1 1 511.671 2.699 40 0 KFABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499113 553465308 /nfs/dbraw/zinc/46/53/08/553465308.db2.gz QSDAGEVSDRFICS-VWLOTQADSA-N 1 1 511.671 2.699 40 0 KFABMO COCCn1nnnc1[C@H](C(C)C)[N@H+](CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499113 553465306 /nfs/dbraw/zinc/46/53/06/553465306.db2.gz QSDAGEVSDRFICS-VWLOTQADSA-N 1 1 511.671 2.699 40 0 KFABMO COCCn1nnnc1[C@H](C(C)C)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499113 553465304 /nfs/dbraw/zinc/46/53/04/553465304.db2.gz QSDAGEVSDRFICS-VWLOTQADSA-N 1 1 511.671 2.699 40 0 KFABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501186 553466483 /nfs/dbraw/zinc/46/64/83/553466483.db2.gz LIFWRMHDMRWOSF-UKILVPOCSA-N 1 1 509.655 2.678 40 0 KFABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501187 553466455 /nfs/dbraw/zinc/46/64/55/553466455.db2.gz LIFWRMHDMRWOSF-ZCYQVOJMSA-N 1 1 509.655 2.678 40 0 KFABMO CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000014952017 1059783472 /nfs/dbraw/zinc/78/34/72/1059783472.db2.gz HEFIYUQVAZFDEE-PZAZMJMWSA-N 1 1 609.727 2.627 40 0 KFABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000015320382 553531852 /nfs/dbraw/zinc/53/18/52/553531852.db2.gz MWJXSRGNDPKFQC-KDRGKAGFSA-N 1 1 506.562 2.615 40 0 KFABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000015320688 553532157 /nfs/dbraw/zinc/53/21/57/553532157.db2.gz MFHRRANWHRMBCO-NFFXLNKNSA-N 1 1 520.589 2.611 40 0 KFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000017414158 553595664 /nfs/dbraw/zinc/59/56/64/553595664.db2.gz NUZVYVDNPAZYFT-UHFFFAOYSA-N 1 1 547.660 2.695 40 0 KFABMO CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019360906 553613671 /nfs/dbraw/zinc/61/36/71/553613671.db2.gz WLTGNCWNAMIYLU-DEOSSOPVSA-N 1 1 501.591 2.906 40 0 KFABMO CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019371901 553614640 /nfs/dbraw/zinc/61/46/40/553614640.db2.gz WLTGNCWNAMIYLU-XMMPIXPASA-N 1 1 501.591 2.906 40 0 KFABMO COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824766 553620972 /nfs/dbraw/zinc/62/09/72/553620972.db2.gz DJFWGTOKQWZKAH-UHFFFAOYSA-N 1 1 524.643 2.864 40 0 KFABMO COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824964 553620959 /nfs/dbraw/zinc/62/09/59/553620959.db2.gz WYQIDQJGKQEKMN-UHFFFAOYSA-N 1 1 524.643 2.864 40 0 KFABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000019826234 553622084 /nfs/dbraw/zinc/62/20/84/553622084.db2.gz LNFSFGDSHZOBHL-RPLLCQBOSA-N 1 1 529.645 2.918 40 0 KFABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000019826238 553622033 /nfs/dbraw/zinc/62/20/33/553622033.db2.gz LNFSFGDSHZOBHL-IGKIAQTJSA-N 1 1 529.645 2.918 40 0 KFABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000019826242 553622002 /nfs/dbraw/zinc/62/20/02/553622002.db2.gz LNFSFGDSHZOBHL-SHQCIBLASA-N 1 1 529.645 2.918 40 0 KFABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000019826246 553622066 /nfs/dbraw/zinc/62/20/66/553622066.db2.gz LNFSFGDSHZOBHL-SQHAQQRYSA-N 1 1 529.645 2.918 40 0 KFABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940370 553638911 /nfs/dbraw/zinc/63/89/11/553638911.db2.gz XSXVBNBEMWQPQK-RPLLCQBOSA-N 1 1 529.645 3.000 40 0 KFABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940371 553638892 /nfs/dbraw/zinc/63/88/92/553638892.db2.gz XSXVBNBEMWQPQK-IGKIAQTJSA-N 1 1 529.645 3.000 40 0 KFABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940372 553638941 /nfs/dbraw/zinc/63/89/41/553638941.db2.gz XSXVBNBEMWQPQK-SHQCIBLASA-N 1 1 529.645 3.000 40 0 KFABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940373 553638917 /nfs/dbraw/zinc/63/89/17/553638917.db2.gz XSXVBNBEMWQPQK-SQHAQQRYSA-N 1 1 529.645 3.000 40 0 KFABMO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940450 553639165 /nfs/dbraw/zinc/63/91/65/553639165.db2.gz NEDSDMBTLQVZAQ-JYFHCDHNSA-N 1 1 515.618 2.609 40 0 KFABMO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940451 553639192 /nfs/dbraw/zinc/63/91/92/553639192.db2.gz NEDSDMBTLQVZAQ-OZXSUGGESA-N 1 1 515.618 2.609 40 0 KFABMO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940452 553639156 /nfs/dbraw/zinc/63/91/56/553639156.db2.gz NEDSDMBTLQVZAQ-ZEQKJWHPSA-N 1 1 515.618 2.609 40 0 KFABMO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940453 553639101 /nfs/dbraw/zinc/63/91/01/553639101.db2.gz NEDSDMBTLQVZAQ-BVAGGSTKSA-N 1 1 515.618 2.609 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NCCc1ccccc1)OCO3 ZINC000019940497 553639486 /nfs/dbraw/zinc/63/94/86/553639486.db2.gz VJWCZRORFWZZDH-UHFFFAOYSA-N 1 1 508.644 2.898 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc(F)cc1)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000019940511 553639458 /nfs/dbraw/zinc/63/94/58/553639458.db2.gz NYXIJECKLKNJOL-UHFFFAOYSA-N 1 1 512.607 2.995 40 0 KFABMO COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000019940512 553639502 /nfs/dbraw/zinc/63/95/02/553639502.db2.gz CCPIVSPOIZKZCD-UHFFFAOYSA-N 1 1 524.643 2.864 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000019940513 553639443 /nfs/dbraw/zinc/63/94/43/553639443.db2.gz MSLULBKIWZJIDJ-UHFFFAOYSA-N 1 1 500.646 2.917 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCCC[NH+]1CCOCC1)OCCO3 ZINC000019940520 553639401 /nfs/dbraw/zinc/63/94/01/553639401.db2.gz PTBJJOXVJDLQEC-UHFFFAOYSA-N 1 1 508.644 2.898 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NCCc1ccccc1)OCCO3 ZINC000019940542 553639500 /nfs/dbraw/zinc/63/95/00/553639500.db2.gz VVBHVRFDOAKBDG-UHFFFAOYSA-N 1 1 522.671 2.941 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)C(=S)NCCC[NH+]1CCOCC1)OCCO3 ZINC000019940551 553639387 /nfs/dbraw/zinc/63/93/87/553639387.db2.gz YPABOSLAUCJUAP-UHFFFAOYSA-N 1 1 514.673 2.960 40 0 KFABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940674 553640437 /nfs/dbraw/zinc/64/04/37/553640437.db2.gz RYELDCLHVGZFJQ-JYFHCDHNSA-N 1 1 515.618 2.609 40 0 KFABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940675 553640425 /nfs/dbraw/zinc/64/04/25/553640425.db2.gz RYELDCLHVGZFJQ-OZXSUGGESA-N 1 1 515.618 2.609 40 0 KFABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940676 553640445 /nfs/dbraw/zinc/64/04/45/553640445.db2.gz RYELDCLHVGZFJQ-ZEQKJWHPSA-N 1 1 515.618 2.609 40 0 KFABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940677 553640439 /nfs/dbraw/zinc/64/04/39/553640439.db2.gz RYELDCLHVGZFJQ-BVAGGSTKSA-N 1 1 515.618 2.609 40 0 KFABMO COc1cc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000019941006 553642205 /nfs/dbraw/zinc/64/22/05/553642205.db2.gz GLWJFGUIKXWBAK-UHFFFAOYSA-N 1 1 511.648 2.539 40 0 KFABMO COc1cc2cc(CN(Cc3ccco3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000020081376 553680189 /nfs/dbraw/zinc/68/01/89/553680189.db2.gz ZRHIFHLVGPJEHQ-UHFFFAOYSA-N 1 1 500.621 2.737 40 0 KFABMO O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)C(=S)NCCC[NH+]1CCOCC1)OCCO3 ZINC000020081389 553680225 /nfs/dbraw/zinc/68/02/25/553680225.db2.gz FYNUGRXGFNTUNW-UHFFFAOYSA-N 1 1 522.671 2.941 40 0 KFABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000020082391 553681539 /nfs/dbraw/zinc/68/15/39/553681539.db2.gz SRADEEHNJLUGTI-AREMUKBSSA-N 1 1 517.634 2.639 40 0 KFABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000020082394 553681531 /nfs/dbraw/zinc/68/15/31/553681531.db2.gz SRADEEHNJLUGTI-SANMLTNESA-N 1 1 517.634 2.639 40 0 KFABMO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020083402 553683958 /nfs/dbraw/zinc/68/39/58/553683958.db2.gz MSEVZUDTJNKHNT-SANMLTNESA-N 1 1 517.634 2.694 40 0 KFABMO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020083406 553683963 /nfs/dbraw/zinc/68/39/63/553683963.db2.gz MSEVZUDTJNKHNT-AREMUKBSSA-N 1 1 517.634 2.694 40 0 KFABMO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020083696 553684521 /nfs/dbraw/zinc/68/45/21/553684521.db2.gz OIRJCTJSAPIOGY-SANMLTNESA-N 1 1 517.634 2.694 40 0 KFABMO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020083699 553684510 /nfs/dbraw/zinc/68/45/10/553684510.db2.gz OIRJCTJSAPIOGY-AREMUKBSSA-N 1 1 517.634 2.694 40 0 KFABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000020109439 553692906 /nfs/dbraw/zinc/69/29/06/553692906.db2.gz PCCWVJYJXRTRPP-UHFFFAOYSA-N 1 1 505.598 2.735 40 0 KFABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109440 553692979 /nfs/dbraw/zinc/69/29/79/553692979.db2.gz JQZQMNLAJMEMEQ-UHFFFAOYSA-N 1 1 505.598 2.735 40 0 KFABMO COc1ccc2ccccc2c1CC1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O ZINC000020111471 553693937 /nfs/dbraw/zinc/69/39/37/553693937.db2.gz UDKNBCJZDFZWCO-CTNGQTDRSA-N 1 1 528.609 2.709 40 0 KFABMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020815447 553698925 /nfs/dbraw/zinc/69/89/25/553698925.db2.gz HRODQVSVUFEHBX-UHFFFAOYSA-N 1 1 511.630 2.700 40 0 KFABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022246657 553729685 /nfs/dbraw/zinc/72/96/85/553729685.db2.gz OSJQFGHNOFQFTO-VWLOTQADSA-N 1 1 523.655 2.938 40 0 KFABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022246663 553730091 /nfs/dbraw/zinc/73/00/91/553730091.db2.gz OSJQFGHNOFQFTO-RUZDIDTESA-N 1 1 523.655 2.938 40 0 KFABMO COc1cc(C(=O)NCCC[NH+]2CCOCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254221 553732595 /nfs/dbraw/zinc/73/25/95/553732595.db2.gz QLARPLTYQBOIKO-UHFFFAOYSA-N 1 1 526.055 2.776 40 0 KFABMO Cc1ccc(C)c(S(=O)(=O)NCCCN2CC[NH+](CCCNS(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000022585416 553747530 /nfs/dbraw/zinc/74/75/30/553747530.db2.gz KBDFRUTZWIOBGP-UHFFFAOYSA-N 1 1 536.764 2.575 40 0 KFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(Br)cc2)cc1 ZINC000022829523 553754466 /nfs/dbraw/zinc/75/44/66/553754466.db2.gz OYVVDTHHNDCJNY-UHFFFAOYSA-N 1 1 523.497 2.707 40 0 KFABMO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000022829541 553754485 /nfs/dbraw/zinc/75/44/85/553754485.db2.gz ZYROSPSDLJMOGK-UHFFFAOYSA-N 1 1 509.072 2.606 40 0 KFABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022829707 553754420 /nfs/dbraw/zinc/75/44/20/553754420.db2.gz MLAUDLCWTDUIGR-UHFFFAOYSA-N 1 1 509.072 2.688 40 0 KFABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867600 553764051 /nfs/dbraw/zinc/76/40/51/553764051.db2.gz KFQACXKXNOWHEG-IGKIAQTJSA-N 1 1 545.644 2.618 40 0 KFABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867603 553764472 /nfs/dbraw/zinc/76/44/72/553764472.db2.gz KFQACXKXNOWHEG-SQHAQQRYSA-N 1 1 545.644 2.618 40 0 KFABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867613 553764406 /nfs/dbraw/zinc/76/44/06/553764406.db2.gz KFQACXKXNOWHEG-RPLLCQBOSA-N 1 1 545.644 2.618 40 0 KFABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867616 553764397 /nfs/dbraw/zinc/76/43/97/553764397.db2.gz KFQACXKXNOWHEG-SHQCIBLASA-N 1 1 545.644 2.618 40 0 KFABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000022933356 553767746 /nfs/dbraw/zinc/76/77/46/553767746.db2.gz FYZJYVQVULQSNF-UHFFFAOYSA-N 1 1 520.721 2.756 40 0 KFABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)CC1 ZINC000022933833 553767865 /nfs/dbraw/zinc/76/78/65/553767865.db2.gz UTIWPWUFEUTOCV-UHFFFAOYSA-N 1 1 502.725 2.674 40 0 KFABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000022934598 553767795 /nfs/dbraw/zinc/76/77/95/553767795.db2.gz GBLQCUTWFUGUIJ-UHFFFAOYSA-N 1 1 520.721 2.756 40 0 KFABMO COc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022934667 553767846 /nfs/dbraw/zinc/76/78/46/553767846.db2.gz DWOZDASWZUFTEB-UHFFFAOYSA-N 1 1 509.072 2.606 40 0 KFABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022935095 553768137 /nfs/dbraw/zinc/76/81/37/553768137.db2.gz RJPNSGBXQLTMRM-UHFFFAOYSA-N 1 1 509.072 2.688 40 0 KFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(Br)c2)cc1 ZINC000022935109 553768158 /nfs/dbraw/zinc/76/81/58/553768158.db2.gz LCJCUFSRDGCNFR-UHFFFAOYSA-N 1 1 523.497 2.707 40 0 KFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022935207 553768140 /nfs/dbraw/zinc/76/81/40/553768140.db2.gz AASZXIOSWIBSMK-UHFFFAOYSA-N 1 1 512.598 2.963 40 0 KFABMO 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 ZINC000028112111 553837908 /nfs/dbraw/zinc/83/79/08/553837908.db2.gz HYFHYPWGAURHIV-XHZCKAMJSA-N 1 1 545.629 2.581 40 0 KFABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937389 553979650 /nfs/dbraw/zinc/97/96/50/553979650.db2.gz LIFWRMHDMRWOSF-NOZRDPDXSA-N 1 1 509.655 2.678 40 0 KFABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937390 553979517 /nfs/dbraw/zinc/97/95/17/553979517.db2.gz LIFWRMHDMRWOSF-ILBGXUMGSA-N 1 1 509.655 2.678 40 0 KFABMO O=C(NCCC[NH+]1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000035096671 554034505 /nfs/dbraw/zinc/03/45/05/554034505.db2.gz YMIKRLFOXVSXIP-FQEVSTJZSA-N 1 1 500.448 2.722 40 0 KFABMO O=C(NCCC[NH+]1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000035096674 554034555 /nfs/dbraw/zinc/03/45/55/554034555.db2.gz YMIKRLFOXVSXIP-HXUWFJFHSA-N 1 1 500.448 2.722 40 0 KFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NS(=O)(=O)c5ccc(Cl)cc5)ccc43)C2)CC1 ZINC000035415753 554049624 /nfs/dbraw/zinc/04/96/24/554049624.db2.gz AAENKYMTBPMFLZ-ZWKOTPCHSA-N 1 1 505.040 2.733 40 0 biogenic,in-vitro KFABMO 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 ZINC000038142051 554265240 /nfs/dbraw/zinc/26/52/40/554265240.db2.gz PBUNVLRHZGSROC-ICQLZFSISA-N 1 1 577.726 2.521 40 0 KFABMO 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 ZINC000038142052 554265217 /nfs/dbraw/zinc/26/52/17/554265217.db2.gz PBUNVLRHZGSROC-LIDJHAAMSA-N 1 1 577.726 2.521 40 0 KFABMO 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 ZINC000038142053 554265380 /nfs/dbraw/zinc/26/53/80/554265380.db2.gz PBUNVLRHZGSROC-FVXXWMSLSA-N 1 1 577.726 2.521 40 0 KFABMO 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 ZINC000038142054 554265392 /nfs/dbraw/zinc/26/53/92/554265392.db2.gz PBUNVLRHZGSROC-OVFLYZFFSA-N 1 1 577.726 2.521 40 0 KFABMO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(C[NH+]3CCOCC3)cc1)O2 ZINC000038831917 554277832 /nfs/dbraw/zinc/27/78/32/554277832.db2.gz OTTDNYQEGGYAJI-XMMPIXPASA-N 1 1 501.649 2.660 40 0 KFABMO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCOCC3)cc1)O2 ZINC000038831918 554277772 /nfs/dbraw/zinc/27/77/72/554277772.db2.gz OTTDNYQEGGYAJI-DEOSSOPVSA-N 1 1 501.649 2.660 40 0 KFABMO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)O2 ZINC000038831929 554277854 /nfs/dbraw/zinc/27/78/54/554277854.db2.gz SPLGPTCRNDGBHP-XMMPIXPASA-N 1 1 501.649 2.660 40 0 KFABMO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)O2 ZINC000038831930 554277805 /nfs/dbraw/zinc/27/78/05/554277805.db2.gz SPLGPTCRNDGBHP-DEOSSOPVSA-N 1 1 501.649 2.660 40 0 KFABMO 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 ZINC000043450320 554298818 /nfs/dbraw/zinc/29/88/18/554298818.db2.gz HYFHYPWGAURHIV-YFVZOPNBSA-N 1 1 545.629 2.581 40 0 biogenic,in-vitro KFABMO 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 ZINC000043450322 554298743 /nfs/dbraw/zinc/29/87/43/554298743.db2.gz HYFHYPWGAURHIV-NSIYGSDQSA-N 1 1 545.629 2.581 40 0 biogenic,in-vitro KFABMO 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 ZINC000043450324 554298802 /nfs/dbraw/zinc/29/88/02/554298802.db2.gz HYFHYPWGAURHIV-YDEMYLEWSA-N 1 1 545.629 2.581 40 0 biogenic,fda KFABMO 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 ZINC000043450326 554298616 /nfs/dbraw/zinc/29/86/16/554298616.db2.gz HYFHYPWGAURHIV-BXCBQBLLSA-N 1 1 545.629 2.581 40 0 biogenic,fda KFABMO CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000053282743 554330883 /nfs/dbraw/zinc/33/08/83/554330883.db2.gz HEFIYUQVAZFDEE-MKTPKCENSA-N 1 1 609.727 2.627 40 0 in-vitro KFABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@]2(Cc3cccs3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000059408808 554393232 /nfs/dbraw/zinc/39/32/32/554393232.db2.gz RQCUDQDTJPDZIU-BALWLHIASA-N 1 1 516.623 2.837 40 0 KFABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@]2(Cc3cccs3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000059408808 554393229 /nfs/dbraw/zinc/39/32/29/554393229.db2.gz RQCUDQDTJPDZIU-BALWLHIASA-N 1 1 516.623 2.837 40 0 KFABMO CC(C)[C@@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000060027350 554490314 /nfs/dbraw/zinc/49/03/14/554490314.db2.gz HEFIYUQVAZFDEE-WJEDNPLUSA-N 1 1 609.727 2.627 40 0 KFABMO CC(C)[C@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000060027351 554490323 /nfs/dbraw/zinc/49/03/23/554490323.db2.gz HEFIYUQVAZFDEE-PRXDVHOLSA-N 1 1 609.727 2.627 40 0 KFABMO CC(C)[C@@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000060027352 554490244 /nfs/dbraw/zinc/49/02/44/554490244.db2.gz HEFIYUQVAZFDEE-JGQKLOMVSA-N 1 1 609.727 2.627 40 0 KFABMO CC(C)[C@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000060027353 554490303 /nfs/dbraw/zinc/49/03/03/554490303.db2.gz HEFIYUQVAZFDEE-WSPXPQNKSA-N 1 1 609.727 2.627 40 0 KFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000060028607 554493931 /nfs/dbraw/zinc/49/39/31/554493931.db2.gz GMLFSFWMRWGWGH-UHFFFAOYSA-N 1 1 524.384 2.868 40 0 KFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000060061145 554502011 /nfs/dbraw/zinc/50/20/11/554502011.db2.gz PUQDKSDEYOPOTQ-UHFFFAOYSA-N 1 1 548.709 2.955 40 0 KFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000060061156 554501869 /nfs/dbraw/zinc/50/18/69/554501869.db2.gz WLNZESXHBAYYTN-UHFFFAOYSA-N 1 1 548.709 2.955 40 0 KFABMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](CC(N)=O)[NH2+][C@@]12c1cc(Br)ccc1NC2=O ZINC000064164097 554510671 /nfs/dbraw/zinc/51/06/71/554510671.db2.gz QXHHTWPQPJNDRS-UPBLURMWSA-N 1 1 507.772 2.751 40 0 KFABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000067870828 1059763298 /nfs/dbraw/zinc/76/32/98/1059763298.db2.gz RNENNUBHHJFQFW-KHYDEXNFSA-N 1 1 517.095 2.610 40 0 biogenic,in-vitro KFABMO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000067870931 1059764036 /nfs/dbraw/zinc/76/40/36/1059764036.db2.gz MKZORLKYBIAYBC-SXWKCWPCSA-N 1 1 587.595 2.989 40 0 biogenic,in-vitro KFABMO OC[C@@H]1O[C@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCN(c3ccccn3)CC2)[C@@H]1O ZINC000067890393 554534825 /nfs/dbraw/zinc/53/48/25/554534825.db2.gz BWHHSHGYNGGMGO-FUCIELGGSA-N 1 1 524.612 2.673 40 0 biogenic,in-vitro KFABMO COc1ccc2ccccc2c1CC1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=S)N(C)C1=O ZINC000070670042 553600085 /nfs/dbraw/zinc/60/00/85/553600085.db2.gz MJSDHWVSIRVBBF-CTNGQTDRSA-N 1 1 544.677 2.874 40 0 KFABMO COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12 ZINC000070670085 553600303 /nfs/dbraw/zinc/60/03/03/553600303.db2.gz SIXJIUNHTBIAFX-CTNGQTDRSA-N 1 1 544.677 2.874 40 0 KFABMO CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@H](O)c3ccccc3)cc2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000070672284 553601828 /nfs/dbraw/zinc/60/18/28/553601828.db2.gz VOYKGCIIGXHHRT-CKOJHNACSA-N 1 1 584.673 2.659 40 0 KFABMO CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@@H](O)c3ccccc3)cc2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000070672287 553601713 /nfs/dbraw/zinc/60/17/13/553601713.db2.gz VOYKGCIIGXHHRT-KSCKTEMCSA-N 1 1 584.673 2.659 40 0 KFABMO CC[N@H+]1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](OC(C)=O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000070691745 553608274 /nfs/dbraw/zinc/60/82/74/553608274.db2.gz BHOWLZWNBIHSFB-GQIRAUAMSA-N 1 1 503.636 2.963 40 0 KFABMO CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2CC=C(C)[C@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](C[NH+]4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@@H]21 ZINC000070697689 553613012 /nfs/dbraw/zinc/61/30/12/553613012.db2.gz CBJPQVLGEQCRAI-CJUCMVKHSA-N 1 1 639.786 2.800 40 0 KFABMO CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](C[NH+]4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@@H]21 ZINC000070697694 553613070 /nfs/dbraw/zinc/61/30/70/553613070.db2.gz CBJPQVLGEQCRAI-XRZKSBOYSA-N 1 1 639.786 2.800 40 0 KFABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c12 ZINC000095202041 553700715 /nfs/dbraw/zinc/70/07/15/553700715.db2.gz PZSYFMAFWZXCLY-UHFFFAOYSA-N 1 1 501.635 2.790 40 0 KFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000095202042 553700793 /nfs/dbraw/zinc/70/07/93/553700793.db2.gz HDALCRJTGPQQDH-UHFFFAOYSA-N 1 1 531.661 2.881 40 0 KFABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000096536588 553755484 /nfs/dbraw/zinc/75/54/84/553755484.db2.gz TYZXXWFTJBPJLE-WEWMWRJBSA-N 1 1 510.082 2.842 40 0 biogenic,in-vitro KFABMO COc1ccc(N2C(=O)[C@H]3[C@@H](C)[NH2+][C@@]4(c5ccccc5N(CC(=O)N5CCc6ccccc65)C4=O)[C@@H]3C2=O)cc1 ZINC000098006376 554061808 /nfs/dbraw/zinc/06/18/08/554061808.db2.gz NUTRBPOVFCDQAB-RVPUXHFISA-N 1 1 536.588 2.624 40 0 KFABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3C)c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000098006377 554061688 /nfs/dbraw/zinc/06/16/88/554061688.db2.gz NUTRBPOVFCDQAB-LETPREFUSA-N 1 1 536.588 2.624 40 0 KFABMO COc1ccccc1N1C(=O)[C@H]2[C@@H](C)[NH2+][C@@]3(c4ccccc4N(CC(=O)N4CCc5ccccc54)C3=O)[C@@H]2C1=O ZINC000098006378 554061854 /nfs/dbraw/zinc/06/18/54/554061854.db2.gz OGNKSVOBEJANPK-RVPUXHFISA-N 1 1 536.588 2.624 40 0 KFABMO COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2C)c2ccccc2N(CC(=O)N2CCc3ccccc32)C1=O ZINC000098006379 554061670 /nfs/dbraw/zinc/06/16/70/554061670.db2.gz OGNKSVOBEJANPK-LETPREFUSA-N 1 1 536.588 2.624 40 0 KFABMO CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C)[NH2+][C@@]4(c5ccccc5N(CC(=O)N5CCc6ccccc65)C4=O)[C@@H]3C2=O)cc1 ZINC000098006380 554061708 /nfs/dbraw/zinc/06/17/08/554061708.db2.gz DWYLCFZEMJWYFF-SKFFSQODSA-N 1 1 563.614 2.574 40 0 KFABMO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3C)c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000098006381 554061726 /nfs/dbraw/zinc/06/17/26/554061726.db2.gz DWYLCFZEMJWYFF-PYOVZCJQSA-N 1 1 563.614 2.574 40 0 KFABMO 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 ZINC000100069762 554200595 /nfs/dbraw/zinc/20/05/95/554200595.db2.gz NXZNYBUBXWWKCP-OTPAQWSUSA-N 1 1 520.552 2.860 40 0 KFABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000100086904 554209300 /nfs/dbraw/zinc/20/93/00/554209300.db2.gz QWSMSANBUPCSPF-UHFFFAOYSA-N 1 1 553.523 2.797 40 0 KFABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000100164651 554235763 /nfs/dbraw/zinc/23/57/63/554235763.db2.gz MWJXSRGNDPKFQC-WSXGHEPNSA-N 1 1 506.562 2.615 40 0 KFABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C)[NH2+][C@@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000100164709 554236239 /nfs/dbraw/zinc/23/62/39/554236239.db2.gz NUTRBPOVFCDQAB-SPBCFDDISA-N 1 1 536.588 2.624 40 0 KFABMO COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21c2ccccc2N(CC(=O)N2CCc3ccccc32)C1=O ZINC000100164723 554236184 /nfs/dbraw/zinc/23/61/84/554236184.db2.gz OGNKSVOBEJANPK-SPBCFDDISA-N 1 1 536.588 2.624 40 0 KFABMO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C)[NH2+][C@@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000100164734 554236253 /nfs/dbraw/zinc/23/62/53/554236253.db2.gz DWYLCFZEMJWYFF-QAOQQRABSA-N 1 1 563.614 2.574 40 0 KFABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000100166572 554236793 /nfs/dbraw/zinc/23/67/93/554236793.db2.gz MFHRRANWHRMBCO-JJROJLJVSA-N 1 1 520.589 2.611 40 0 KFABMO CC(=O)NCCN(C)c1ccc2c(c1)O[C@H]1C=C([N@@H+](C)CCNC(C)=O)C=C[C@@H]1[C@]21OC(=O)c2ccccc21 ZINC000100225223 554252629 /nfs/dbraw/zinc/25/26/29/554252629.db2.gz DZABLMRNITYWGN-XXJPWZBZSA-N 1 1 530.625 2.572 40 0 in-vitro KFABMO CC(=O)NCCN(C)c1ccc2c(c1)O[C@H]1C=C([N@H+](C)CCNC(C)=O)C=C[C@@H]1[C@]21OC(=O)c2ccccc21 ZINC000100225223 554252628 /nfs/dbraw/zinc/25/26/28/554252628.db2.gz DZABLMRNITYWGN-XXJPWZBZSA-N 1 1 530.625 2.572 40 0 in-vitro KFABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 ZINC000100275889 554272479 /nfs/dbraw/zinc/27/24/79/554272479.db2.gz HVZWOEZEHAHMAM-DEOSSOPVSA-N 1 1 541.628 2.588 40 0 KFABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 ZINC000100275894 554272498 /nfs/dbraw/zinc/27/24/98/554272498.db2.gz HVZWOEZEHAHMAM-XMMPIXPASA-N 1 1 541.628 2.588 40 0 KFABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276361 554273093 /nfs/dbraw/zinc/27/30/93/554273093.db2.gz RJDDCTUAZROAGG-LJAQVGFWSA-N 1 1 609.703 2.847 40 0 KFABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276364 554273116 /nfs/dbraw/zinc/27/31/16/554273116.db2.gz RJDDCTUAZROAGG-GDLZYMKVSA-N 1 1 609.703 2.847 40 0 KFABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1 ZINC000100290207 554283415 /nfs/dbraw/zinc/28/34/15/554283415.db2.gz RTXOINDOXADWSW-NDEPHWFRSA-N 1 1 575.645 2.989 40 0 KFABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1 ZINC000100290210 554283464 /nfs/dbraw/zinc/28/34/64/554283464.db2.gz RTXOINDOXADWSW-MUUNZHRXSA-N 1 1 575.645 2.989 40 0 KFABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100373499 193907161 /nfs/dbraw/zinc/90/71/61/193907161.db2.gz FFBAFBCWEQHLEI-UHFFFAOYSA-N 1 1 535.624 2.825 40 0 KFABMO CCC(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 ZINC000100735958 571361166 /nfs/dbraw/zinc/36/11/66/571361166.db2.gz YLXBZBPHTNJZQE-GTMHZSJYSA-N 1 1 591.753 2.911 40 0 world KFABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(C)cc2)cc1Br ZINC000113630059 571441887 /nfs/dbraw/zinc/44/18/87/571441887.db2.gz CVZVZNLMAXPLFX-UHFFFAOYSA-N 1 1 553.523 2.715 40 0 KFABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@]2(Cc3cccs3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000136956511 571449815 /nfs/dbraw/zinc/44/98/15/571449815.db2.gz RQCUDQDTJPDZIU-GTNJKRJXSA-N 1 1 516.623 2.837 40 0 KFABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@]2(Cc3cccs3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000136956511 571449814 /nfs/dbraw/zinc/44/98/14/571449814.db2.gz RQCUDQDTJPDZIU-GTNJKRJXSA-N 1 1 516.623 2.837 40 0 KFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000140063970 571454750 /nfs/dbraw/zinc/45/47/50/571454750.db2.gz FGPOEXDLLNPYOV-UHFFFAOYSA-N 1 1 524.384 2.868 40 0 KFABMO CCCn1c(N2CC[NH+](C[C@H](O)COc3c(Br)cc(Br)cc3Br)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000150376972 571466484 /nfs/dbraw/zinc/46/64/84/571466484.db2.gz MYPUDEZCOMGRJD-AWEZNQCLSA-N 1 1 679.208 2.683 40 0 KFABMO CCCn1c(N2CC[NH+](C[C@@H](O)COc3c(Br)cc(Br)cc3Br)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000150376974 571466556 /nfs/dbraw/zinc/46/65/56/571466556.db2.gz MYPUDEZCOMGRJD-CQSZACIVSA-N 1 1 679.208 2.683 40 0 KFABMO O=C(OCCN(CCOC(=O)c1cccnc1)CC[NH+](CCOC(=O)c1cccnc1)CCOC(=O)c1cccnc1)c1cccnc1 ZINC000150469803 571509001 /nfs/dbraw/zinc/50/90/01/571509001.db2.gz DSQABTCDYIBPEQ-UHFFFAOYSA-N 1 1 656.696 2.598 40 0 KFABMO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222712826 571388086 /nfs/dbraw/zinc/38/80/86/571388086.db2.gz RDRSACDRDMRCQB-UHFFFAOYSA-N 1 1 504.996 2.516 40 0 KFABMO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222712922 571388046 /nfs/dbraw/zinc/38/80/46/571388046.db2.gz KXXIJYQDDIMBAZ-UHFFFAOYSA-N 1 1 519.023 2.906 40 0 KFABMO COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222745306 571392428 /nfs/dbraw/zinc/39/24/28/571392428.db2.gz QZOBEFVSMKRADE-UHFFFAOYSA-N 1 1 507.012 2.810 40 0 KFABMO Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222795809 571398734 /nfs/dbraw/zinc/39/87/34/571398734.db2.gz OLPHRULGOUEUBD-UHFFFAOYSA-N 1 1 519.023 2.825 40 0 KFABMO COc1ccc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1S(=O)(=O)N1CCOCC1 ZINC000222920225 571413224 /nfs/dbraw/zinc/41/32/24/571413224.db2.gz YIGRAZWSWBSEFE-UHFFFAOYSA-N 1 1 504.996 2.760 40 0 KFABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1 ZINC000224471747 571553829 /nfs/dbraw/zinc/55/38/29/571553829.db2.gz UQPXSSNPHBLPIZ-OAQYLSRUSA-N 1 1 501.649 2.748 40 0 KFABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1 ZINC000224471792 571553820 /nfs/dbraw/zinc/55/38/20/571553820.db2.gz UQPXSSNPHBLPIZ-NRFANRHFSA-N 1 1 501.649 2.748 40 0 KFABMO O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224478917 571555714 /nfs/dbraw/zinc/55/57/14/571555714.db2.gz MIBKEHUPPYESFI-UHFFFAOYSA-N 1 1 566.518 2.877 40 0 KFABMO O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224478989 571555626 /nfs/dbraw/zinc/55/56/26/571555626.db2.gz HZIJWFNTUIVLAA-UHFFFAOYSA-N 1 1 540.057 2.907 40 0 KFABMO O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224489684 571558574 /nfs/dbraw/zinc/55/85/74/571558574.db2.gz WXTNEVNKDAIMJY-OAQYLSRUSA-N 1 1 522.067 2.768 40 0 KFABMO O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224489739 571558541 /nfs/dbraw/zinc/55/85/41/571558541.db2.gz WXTNEVNKDAIMJY-NRFANRHFSA-N 1 1 522.067 2.768 40 0 KFABMO O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000224500716 571561502 /nfs/dbraw/zinc/56/15/02/571561502.db2.gz XAJFIGOFBFYBBV-UHFFFAOYSA-N 1 1 540.057 2.907 40 0 KFABMO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224554988 571573500 /nfs/dbraw/zinc/57/35/00/571573500.db2.gz MTDKAKFYJXHASP-UHFFFAOYSA-N 1 1 555.628 2.941 40 0 KFABMO Cc1cc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)ccc1Br ZINC000224555371 571573435 /nfs/dbraw/zinc/57/34/35/571573435.db2.gz NNBQYDNVOIFGBZ-UHFFFAOYSA-N 1 1 510.454 2.672 40 0 KFABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1I ZINC000224558420 571574187 /nfs/dbraw/zinc/57/41/87/571574187.db2.gz LXPWNLOKTUBJAA-UHFFFAOYSA-N 1 1 502.374 2.611 40 0 KFABMO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224558562 571574114 /nfs/dbraw/zinc/57/41/14/571574114.db2.gz PNCILAYGJUIPAS-UHFFFAOYSA-N 1 1 537.638 2.802 40 0 KFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224558803 571574231 /nfs/dbraw/zinc/57/42/31/571574231.db2.gz MSDAFMDIPLYLND-SANMLTNESA-N 1 1 507.612 2.792 40 0 KFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224558858 571574307 /nfs/dbraw/zinc/57/43/07/571574307.db2.gz MSDAFMDIPLYLND-AREMUKBSSA-N 1 1 507.612 2.792 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224562784 571575287 /nfs/dbraw/zinc/57/52/87/571575287.db2.gz NWARIMGCALFDKW-UHFFFAOYSA-N 1 1 501.649 2.878 40 0 KFABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000224564159 571575634 /nfs/dbraw/zinc/57/56/34/571575634.db2.gz YDQDEGQFVDZVFU-UHFFFAOYSA-N 1 1 501.649 2.878 40 0 KFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224566156 571576024 /nfs/dbraw/zinc/57/60/24/571576024.db2.gz QCHHYHRPBDREJY-MHZLTWQESA-N 1 1 521.639 2.933 40 0 KFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224566202 571576058 /nfs/dbraw/zinc/57/60/58/571576058.db2.gz QCHHYHRPBDREJY-HHHXNRCGSA-N 1 1 521.639 2.933 40 0 KFABMO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccccc32)cc1 ZINC000224574139 571577964 /nfs/dbraw/zinc/57/79/64/571577964.db2.gz UUIBQHRSSUTQFK-MHZLTWQESA-N 1 1 537.638 2.800 40 0 KFABMO CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000224575809 571578398 /nfs/dbraw/zinc/57/83/98/571578398.db2.gz ZFXMMNMABUUJDQ-UHFFFAOYSA-N 1 1 503.690 2.958 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224587507 571581269 /nfs/dbraw/zinc/58/12/69/571581269.db2.gz ACFDSPWEWSKVES-UHFFFAOYSA-N 1 1 515.676 2.951 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224587578 571581222 /nfs/dbraw/zinc/58/12/22/571581222.db2.gz DXQSKSJWLHIMDW-UHFFFAOYSA-N 1 1 501.649 2.561 40 0 KFABMO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224720646 571610213 /nfs/dbraw/zinc/61/02/13/571610213.db2.gz XMPLUCGIBTVJHI-UHFFFAOYSA-N 1 1 555.628 2.941 40 0 KFABMO Cc1cc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)ccc1Br ZINC000224721012 571610325 /nfs/dbraw/zinc/61/03/25/571610325.db2.gz JRMJNZSKBVCKDO-UHFFFAOYSA-N 1 1 510.454 2.672 40 0 KFABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1I ZINC000224724213 571611060 /nfs/dbraw/zinc/61/10/60/571611060.db2.gz LWZKRSYFDIDGLB-UHFFFAOYSA-N 1 1 502.374 2.611 40 0 KFABMO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224724296 571611043 /nfs/dbraw/zinc/61/10/43/571611043.db2.gz XEDKEAKITZOCFR-UHFFFAOYSA-N 1 1 537.638 2.802 40 0 KFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224724507 571611054 /nfs/dbraw/zinc/61/10/54/571611054.db2.gz ISBIFVPRDACGNR-SANMLTNESA-N 1 1 507.612 2.792 40 0 KFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224724552 571611009 /nfs/dbraw/zinc/61/10/09/571611009.db2.gz ISBIFVPRDACGNR-AREMUKBSSA-N 1 1 507.612 2.792 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224728578 571611782 /nfs/dbraw/zinc/61/17/82/571611782.db2.gz GBUCETABRDYJFB-UHFFFAOYSA-N 1 1 501.649 2.878 40 0 KFABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)N1CCC(C)CC1 ZINC000224729929 571611936 /nfs/dbraw/zinc/61/19/36/571611936.db2.gz FIUQAOOPFULSEM-UHFFFAOYSA-N 1 1 501.649 2.878 40 0 KFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224731999 571612198 /nfs/dbraw/zinc/61/21/98/571612198.db2.gz SBRNDJSNEHLYMY-MHZLTWQESA-N 1 1 521.639 2.933 40 0 KFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224732047 571612173 /nfs/dbraw/zinc/61/21/73/571612173.db2.gz SBRNDJSNEHLYMY-HHHXNRCGSA-N 1 1 521.639 2.933 40 0 KFABMO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccccc32)cc1 ZINC000224740885 571612758 /nfs/dbraw/zinc/61/27/58/571612758.db2.gz WZFSLNAHVCULSW-MHZLTWQESA-N 1 1 537.638 2.800 40 0 KFABMO CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000224742336 571612941 /nfs/dbraw/zinc/61/29/41/571612941.db2.gz MFSVMWVAYVAHKV-UHFFFAOYSA-N 1 1 503.690 2.958 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224754110 571614086 /nfs/dbraw/zinc/61/40/86/571614086.db2.gz GZCXCRBATCVLPW-UHFFFAOYSA-N 1 1 515.676 2.951 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224754171 571614148 /nfs/dbraw/zinc/61/41/48/571614148.db2.gz DOUKYHGSKKMLCX-UHFFFAOYSA-N 1 1 501.649 2.561 40 0 KFABMO COc1ccc(C(=O)N2[C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000226397645 1059451509 /nfs/dbraw/zinc/45/15/09/1059451509.db2.gz CNSVAGWINDSHCL-UODIDJSMSA-N 1 1 504.631 2.682 40 0 KFABMO COc1ccc(C(=O)N2[C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000226397658 1059451480 /nfs/dbraw/zinc/45/14/80/1059451480.db2.gz CNSVAGWINDSHCL-KKUQBAQOSA-N 1 1 504.631 2.682 40 0 KFABMO COc1ccc(C(=O)N2[C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000250567665 572259120 /nfs/dbraw/zinc/25/91/20/572259120.db2.gz CNSVAGWINDSHCL-JIMJEQGWSA-N 1 1 504.631 2.682 40 0 KFABMO COc1ccc(C(=O)N2[C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000250567669 572259054 /nfs/dbraw/zinc/25/90/54/572259054.db2.gz CNSVAGWINDSHCL-TWJOJJKGSA-N 1 1 504.631 2.682 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253394165 572283777 /nfs/dbraw/zinc/28/37/77/572283777.db2.gz ANHAVIIXNJKKMQ-JGDRUYDSSA-N 1 1 563.699 2.536 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253394165 572283776 /nfs/dbraw/zinc/28/37/76/572283776.db2.gz ANHAVIIXNJKKMQ-JGDRUYDSSA-N 1 1 563.699 2.536 40 0 KFABMO CC1CCC([N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 ZINC000253394167 572283764 /nfs/dbraw/zinc/28/37/64/572283764.db2.gz ANSWQKSNCXLVRL-AUPWMSGHSA-N 1 1 635.810 2.503 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@@H+](CC2CCCCC2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253395090 572283747 /nfs/dbraw/zinc/28/37/47/572283747.db2.gz BPBHIPLGFQCKGP-OLAVNICZSA-N 1 1 562.704 2.909 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](CCC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253395235 572283779 /nfs/dbraw/zinc/28/37/79/572283779.db2.gz BRRJJWDCKGFAEI-GEMTWJNPSA-N 1 1 557.736 2.772 40 0 KFABMO CCC[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2OC[C@@]2(C[C@@H](O)[C@@H](O)C2)C1 ZINC000253395339 572283685 /nfs/dbraw/zinc/28/36/85/572283685.db2.gz BUNKVVXUZCMTNT-FUCAVZNHSA-N 1 1 558.619 2.618 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@@H+](CC2CCCC2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253395534 572283974 /nfs/dbraw/zinc/28/39/74/572283974.db2.gz BZNXIQGQTBLYEH-WVZMWUMTSA-N 1 1 548.677 2.519 40 0 KFABMO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@@H+](CC5CCCCC5)CCN4C3=O)O2)cn1 ZINC000253395700 572283940 /nfs/dbraw/zinc/28/39/40/572283940.db2.gz CEFKKKTUOYHUMI-KEQINOFFSA-N 1 1 565.715 2.601 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253395845 572283890 /nfs/dbraw/zinc/28/38/90/572283890.db2.gz CPNYLNLQFOZRQH-JGDRUYDSSA-N 1 1 569.747 2.916 40 0 KFABMO O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CC[N@@H+](CC3CCCCC3)C[C@@H]12 ZINC000253396098 572284105 /nfs/dbraw/zinc/28/41/05/572284105.db2.gz DAIDUJXTFNJYFP-AUXUOOQGSA-N 1 1 635.810 2.505 40 0 KFABMO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253396178 572284184 /nfs/dbraw/zinc/28/41/84/572284184.db2.gz DGNJAOUQEXJDPZ-JGDRUYDSSA-N 1 1 618.722 2.749 40 0 KFABMO CC(C)(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253396932 572284349 /nfs/dbraw/zinc/28/43/49/572284349.db2.gz FGDAFKNQTVGTII-JQWXVRPUSA-N 1 1 510.679 2.639 40 0 KFABMO CC(C)(C)C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253396932 572284348 /nfs/dbraw/zinc/28/43/48/572284348.db2.gz FGDAFKNQTVGTII-JQWXVRPUSA-N 1 1 510.679 2.639 40 0 KFABMO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@H+](C5CCC(F)(F)CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253397822 572284208 /nfs/dbraw/zinc/28/42/08/572284208.db2.gz GAUAVNLATMQRMT-CFJXPYFLSA-N 1 1 602.683 2.816 40 0 KFABMO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](CC4CC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253397839 572284294 /nfs/dbraw/zinc/28/42/94/572284294.db2.gz GCAMRSSIYWKMGB-GEMTWJNPSA-N 1 1 540.705 2.590 40 0 KFABMO CC(C)[N@H+]1CCN2C(=O)c3ccc(-c4ccccc4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253398061 572284496 /nfs/dbraw/zinc/28/44/96/572284496.db2.gz GLEXDRLYWJSUJN-WVAUJHLCSA-N 1 1 507.631 2.696 40 0 KFABMO CC(C)[N@@H+]1CCN2C(=O)c3ccc(-c4ccccc4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253398061 572284495 /nfs/dbraw/zinc/28/44/95/572284495.db2.gz GLEXDRLYWJSUJN-WVAUJHLCSA-N 1 1 507.631 2.696 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccccc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253398763 572284547 /nfs/dbraw/zinc/28/45/47/572284547.db2.gz HKHWNOVTWUGPKI-OLAVNICZSA-N 1 1 556.656 2.529 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccccc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253398763 572284545 /nfs/dbraw/zinc/28/45/45/572284545.db2.gz HKHWNOVTWUGPKI-OLAVNICZSA-N 1 1 556.656 2.529 40 0 KFABMO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](C3CCC3)C[C@@H]12 ZINC000253399038 572284754 /nfs/dbraw/zinc/28/47/54/572284754.db2.gz IAOZJGLIQZIIRA-QMMWJRKVSA-N 1 1 519.642 2.840 40 0 KFABMO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](C3CCC3)C[C@@H]12 ZINC000253399038 572284753 /nfs/dbraw/zinc/28/47/53/572284753.db2.gz IAOZJGLIQZIIRA-QMMWJRKVSA-N 1 1 519.642 2.840 40 0 KFABMO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](C2CCCC2)CC3=O)CC1 ZINC000253399238 572284649 /nfs/dbraw/zinc/28/46/49/572284649.db2.gz IPFDHDWXULYASN-VJQMVFROSA-N 1 1 508.663 2.535 40 0 KFABMO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253399860 572284878 /nfs/dbraw/zinc/28/48/78/572284878.db2.gz KBPUUSLOKMZLQE-DXLYGPJMSA-N 1 1 582.742 2.503 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@@H+](CCc2ccccc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253399976 572284859 /nfs/dbraw/zinc/28/48/59/572284859.db2.gz KHGHMTNLFSICGA-KABOGAJBSA-N 1 1 570.683 2.571 40 0 KFABMO CC1CCC([N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 ZINC000253400699 572285060 /nfs/dbraw/zinc/28/50/60/572285060.db2.gz LMXOBLIMCOIEHF-PYLSPLMPSA-N 1 1 596.769 2.749 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCC(C)CC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400752 572285142 /nfs/dbraw/zinc/28/51/42/572285142.db2.gz LRTMONLCKBMVLH-QTASISESSA-N 1 1 569.747 2.914 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@@H+](CC2CC2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253401253 572285183 /nfs/dbraw/zinc/28/51/83/572285183.db2.gz MQPXSFCFLPOXER-WOLJRWFJSA-N 1 1 570.630 2.618 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253402338 572285503 /nfs/dbraw/zinc/28/55/03/572285503.db2.gz ODKPNKFEQWZDHW-GEMTWJNPSA-N 1 1 591.700 2.913 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4Cc5ccccc5C4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253403239 572285682 /nfs/dbraw/zinc/28/56/82/572285682.db2.gz PPZCFKWNIULLQC-RKDXIHMYSA-N 1 1 589.737 2.503 40 0 KFABMO CC(=O)N1CCC([N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)CC1 ZINC000253403248 572285727 /nfs/dbraw/zinc/28/57/27/572285727.db2.gz PRHWCRDIOZGXTG-LIOVRKMKSA-N 1 1 508.663 2.582 40 0 KFABMO CC(=O)N1CCC([N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)CC1 ZINC000253403248 572285726 /nfs/dbraw/zinc/28/57/26/572285726.db2.gz PRHWCRDIOZGXTG-LIOVRKMKSA-N 1 1 508.663 2.582 40 0 KFABMO COc1ccc(C[N@H+]2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4ccccc4F)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cc1 ZINC000253403760 572285862 /nfs/dbraw/zinc/28/58/62/572285862.db2.gz QKBINGXQDBELOC-TXMFPYTGSA-N 1 1 586.682 2.537 40 0 KFABMO COc1ccc(C[N@@H+]2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4ccccc4F)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cc1 ZINC000253403760 572285861 /nfs/dbraw/zinc/28/58/61/572285861.db2.gz QKBINGXQDBELOC-TXMFPYTGSA-N 1 1 586.682 2.537 40 0 KFABMO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253403849 572285964 /nfs/dbraw/zinc/28/59/64/572285964.db2.gz QNSCSBFQNZNIIL-RKDXIHMYSA-N 1 1 596.769 2.751 40 0 KFABMO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253404409 572285940 /nfs/dbraw/zinc/28/59/40/572285940.db2.gz RAHGMGWCBJXGPR-GEMTWJNPSA-N 1 1 540.705 2.733 40 0 KFABMO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](C4CCC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253404409 572285939 /nfs/dbraw/zinc/28/59/39/572285939.db2.gz RAHGMGWCBJXGPR-GEMTWJNPSA-N 1 1 540.705 2.733 40 0 KFABMO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](CC3CC3)C[C@@H]12 ZINC000253405352 572286238 /nfs/dbraw/zinc/28/62/38/572286238.db2.gz SDSZUJGLUQNYIM-QMMWJRKVSA-N 1 1 519.642 2.697 40 0 KFABMO O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CC[N@H+](C3CCC(F)(F)CC3)C[C@@H]12 ZINC000253405519 572286216 /nfs/dbraw/zinc/28/62/16/572286216.db2.gz SNTSUWZLYALKKT-RKDXIHMYSA-N 1 1 657.763 2.502 40 0 KFABMO CC1CCC([N@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 ZINC000253405983 572286292 /nfs/dbraw/zinc/28/62/92/572286292.db2.gz UBAKGMXKALMAOA-HDPUZOGYSA-N 1 1 565.715 2.599 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2cccs2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253406081 572286199 /nfs/dbraw/zinc/28/61/99/572286199.db2.gz UDVHTUBFVMYXMK-UAUZMGQXSA-N 1 1 562.685 2.590 40 0 KFABMO O=S1(=O)NC[C@H](O)C[N@H+](Cc2cccs2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253406081 572286198 /nfs/dbraw/zinc/28/61/98/572286198.db2.gz UDVHTUBFVMYXMK-UAUZMGQXSA-N 1 1 562.685 2.590 40 0 KFABMO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@H+](C5CCC(F)(F)CC5)CCN4C3=O)O2)cn1 ZINC000253406636 572286497 /nfs/dbraw/zinc/28/64/97/572286497.db2.gz UUSARIRXBVXOHY-WVAUJHLCSA-N 1 1 587.668 2.599 40 0 KFABMO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@@H+](CC5CCCCC5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253406859 572286527 /nfs/dbraw/zinc/28/65/27/572286527.db2.gz VDVDMDYEMSYIKX-DXLYGPJMSA-N 1 1 580.730 2.819 40 0 KFABMO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@H+](C5CCC(C)CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253407892 572286893 /nfs/dbraw/zinc/28/68/93/572286893.db2.gz WWNWYSPTBYNCEO-WAKZKTIYSA-N 1 1 580.730 2.817 40 0 KFABMO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253407932 572286770 /nfs/dbraw/zinc/28/67/70/572286770.db2.gz WWYNIPJESIVANV-CFJXPYFLSA-N 1 1 555.720 2.668 40 0 KFABMO CC(C)(C)CC[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)C4CCOCC4)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253408145 572286776 /nfs/dbraw/zinc/28/67/76/572286776.db2.gz XDFOPOJXZDVRSJ-JGDRUYDSSA-N 1 1 584.758 2.607 40 0 KFABMO CC(C)[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253408394 572286846 /nfs/dbraw/zinc/28/68/46/572286846.db2.gz XUNGDYOUCDRXCX-FEVSWUGISA-N 1 1 528.694 2.589 40 0 KFABMO CC(C)[N@@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253408394 572286845 /nfs/dbraw/zinc/28/68/45/572286845.db2.gz XUNGDYOUCDRXCX-FEVSWUGISA-N 1 1 528.694 2.589 40 0 KFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C1CCOCC1)CC2=O)NCC[NH+]1CCCC1 ZINC000253408912 572287057 /nfs/dbraw/zinc/28/70/57/572287057.db2.gz YYFIXUKSAGDLGF-OXOOYNAKSA-N 1 1 524.706 2.683 40 0 KFABMO CC(C)Oc1ccc([C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)c2O)cc1 ZINC000257198821 572306011 /nfs/dbraw/zinc/30/60/11/572306011.db2.gz JDKKMTWZUQODLT-JXHRLWIKSA-N 1 1 519.598 2.921 40 0 KFABMO CC(C)Oc1ccc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)c2O)cc1 ZINC000257198821 572306009 /nfs/dbraw/zinc/30/60/09/572306009.db2.gz JDKKMTWZUQODLT-JXHRLWIKSA-N 1 1 519.598 2.921 40 0 KFABMO CC(C)Oc1ccc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)c2O)cc1 ZINC000257198822 572306033 /nfs/dbraw/zinc/30/60/33/572306033.db2.gz JDKKMTWZUQODLT-NOXFTYBFSA-N 1 1 519.598 2.921 40 0 KFABMO CC(C)Oc1ccc([C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)c2O)cc1 ZINC000257198822 572306032 /nfs/dbraw/zinc/30/60/32/572306032.db2.gz JDKKMTWZUQODLT-NOXFTYBFSA-N 1 1 519.598 2.921 40 0 KFABMO O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000257199104 572306173 /nfs/dbraw/zinc/30/61/73/572306173.db2.gz SHQYQTDTNNGVMJ-AQJKAMLLSA-N 1 1 528.653 2.957 40 0 KFABMO O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000257199104 572306172 /nfs/dbraw/zinc/30/61/72/572306172.db2.gz SHQYQTDTNNGVMJ-AQJKAMLLSA-N 1 1 528.653 2.957 40 0 KFABMO COc1ccc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1O ZINC000257201013 572306378 /nfs/dbraw/zinc/30/63/78/572306378.db2.gz AFUUFEJGWLCDID-AREMUKBSSA-N 1 1 504.027 2.868 40 0 KFABMO COc1ccc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1O ZINC000257201014 572306407 /nfs/dbraw/zinc/30/64/07/572306407.db2.gz AFUUFEJGWLCDID-SANMLTNESA-N 1 1 504.027 2.868 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC000257207040 572306992 /nfs/dbraw/zinc/30/69/92/572306992.db2.gz BGCCBWSUTABZQV-HHHXNRCGSA-N 1 1 519.086 2.894 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC000257207041 572306924 /nfs/dbraw/zinc/30/69/24/572306924.db2.gz BGCCBWSUTABZQV-MHZLTWQESA-N 1 1 519.086 2.894 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000257208876 572307143 /nfs/dbraw/zinc/30/71/43/572307143.db2.gz BNWQCYVRBVLKBV-UHFFFAOYSA-N 1 1 507.603 2.979 40 0 KFABMO Cc1ncc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257209155 572307138 /nfs/dbraw/zinc/30/71/38/572307138.db2.gz BPFMLGJVFJMVPY-CVDCTZTESA-N 1 1 530.467 2.930 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257209524 572307255 /nfs/dbraw/zinc/30/72/55/572307255.db2.gz BQTBQKGPMSYAIZ-HHHXNRCGSA-N 1 1 549.665 2.857 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257209525 572307233 /nfs/dbraw/zinc/30/72/33/572307233.db2.gz BQTBQKGPMSYAIZ-MHZLTWQESA-N 1 1 549.665 2.857 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000257210119 572307277 /nfs/dbraw/zinc/30/72/77/572307277.db2.gz BTFZPQKIQANRNV-UHFFFAOYSA-N 1 1 507.603 2.979 40 0 KFABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257210600 572307430 /nfs/dbraw/zinc/30/74/30/572307430.db2.gz BVIFLMUPTKMIOW-RXVVDRJESA-N 1 1 519.440 2.753 40 0 KFABMO Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cnn1C ZINC000257212343 572307542 /nfs/dbraw/zinc/30/75/42/572307542.db2.gz CCYWXYQUPXZXRW-URXFXBBRSA-N 1 1 502.059 2.775 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCCn3cncn3)C2)CC1 ZINC000257213186 572307587 /nfs/dbraw/zinc/30/75/87/572307587.db2.gz CGMOCVWEXSZPTP-RUZDIDTESA-N 1 1 503.047 2.564 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCCn3cncn3)C2)CC1 ZINC000257213187 572307629 /nfs/dbraw/zinc/30/76/29/572307629.db2.gz CGMOCVWEXSZPTP-VWLOTQADSA-N 1 1 503.047 2.564 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)CN3CCCCCC3=O)CC2)CC1 ZINC000257215670 572307792 /nfs/dbraw/zinc/30/77/92/572307792.db2.gz CRDUTRWTFASMJD-UHFFFAOYSA-N 1 1 519.086 2.894 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CCCn3cncn3)CC2)CC1 ZINC000257216998 572307915 /nfs/dbraw/zinc/30/79/15/572307915.db2.gz CXAZEORDAAUTQO-UHFFFAOYSA-N 1 1 503.047 2.564 40 0 KFABMO COc1cc2c(cc1CN1CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C1)OCO2 ZINC000257218555 572308107 /nfs/dbraw/zinc/30/81/07/572308107.db2.gz DDNYNNZVEHJARK-HHHXNRCGSA-N 1 1 532.037 2.891 40 0 KFABMO COc1cc2c(cc1CN1CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C1)OCO2 ZINC000257218556 572308116 /nfs/dbraw/zinc/30/81/16/572308116.db2.gz DDNYNNZVEHJARK-MHZLTWQESA-N 1 1 532.037 2.891 40 0 KFABMO CCc1ccc(S(=O)(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257226087 572308753 /nfs/dbraw/zinc/30/87/53/572308753.db2.gz FJCLXPRSVVUGOI-AREMUKBSSA-N 1 1 536.094 2.905 40 0 KFABMO CCc1ccc(S(=O)(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257226088 572308819 /nfs/dbraw/zinc/30/88/19/572308819.db2.gz FJCLXPRSVVUGOI-SANMLTNESA-N 1 1 536.094 2.905 40 0 KFABMO Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cnn1C ZINC000257226856 572308897 /nfs/dbraw/zinc/30/88/97/572308897.db2.gz FMLPJIHTUHVHNH-URXFXBBRSA-N 1 1 546.510 2.884 40 0 KFABMO CC(=O)N1CCC(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000257228053 572309039 /nfs/dbraw/zinc/30/90/39/572309039.db2.gz FSCDSEOQEVJFNZ-UHFFFAOYSA-N 1 1 519.086 2.750 40 0 KFABMO Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257228168 572309007 /nfs/dbraw/zinc/30/90/07/572309007.db2.gz FSPQBTSHFMZDSQ-REWPJTCUSA-N 1 1 532.483 2.723 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257230051 572309235 /nfs/dbraw/zinc/30/92/35/572309235.db2.gz GAPARIPZAPOJLG-UHFFFAOYSA-N 1 1 549.665 2.857 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCCn3cccn3)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257230735 572309317 /nfs/dbraw/zinc/30/93/17/572309317.db2.gz GDQZLTMAWGHDNY-REWPJTCUSA-N 1 1 532.483 2.886 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257236649 572309912 /nfs/dbraw/zinc/30/99/12/572309912.db2.gz HDCAAJYRGSCYGZ-REWPJTCUSA-N 1 1 532.483 2.955 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 ZINC000257237670 572310005 /nfs/dbraw/zinc/31/00/05/572310005.db2.gz HHOAPSCBKYJCFM-RUZDIDTESA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 ZINC000257237671 572310032 /nfs/dbraw/zinc/31/00/32/572310032.db2.gz HHOAPSCBKYJCFM-VWLOTQADSA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257238368 572309961 /nfs/dbraw/zinc/30/99/61/572309961.db2.gz HKQYNOCKRUCIDV-LPHOPBHVSA-N 1 1 507.454 2.979 40 0 KFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCN(S(=O)(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257238758 572310010 /nfs/dbraw/zinc/31/00/10/572310010.db2.gz HMKGLELVJAWYNQ-UHFFFAOYSA-N 1 1 516.716 2.921 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257239488 572310066 /nfs/dbraw/zinc/31/00/66/572310066.db2.gz HPMNPJQMYPTZLO-UGKGYDQZSA-N 1 1 508.457 2.636 40 0 KFABMO COc1cccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257253088 572311281 /nfs/dbraw/zinc/31/12/81/572311281.db2.gz JXNCZZNQPSZQDB-AREMUKBSSA-N 1 1 501.649 2.709 40 0 KFABMO COc1cccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257253089 572311271 /nfs/dbraw/zinc/31/12/71/572311271.db2.gz JXNCZZNQPSZQDB-SANMLTNESA-N 1 1 501.649 2.709 40 0 KFABMO Cc1ccnn1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257255482 572311607 /nfs/dbraw/zinc/31/16/07/572311607.db2.gz KHQUMCRXNZDOEW-REWPJTCUSA-N 1 1 532.483 2.804 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000257257318 572311719 /nfs/dbraw/zinc/31/17/19/572311719.db2.gz KPAMSTZLBDXQIF-RUZDIDTESA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000257257319 572311691 /nfs/dbraw/zinc/31/16/91/572311691.db2.gz KPAMSTZLBDXQIF-VWLOTQADSA-N 1 1 507.603 2.979 40 0 KFABMO CC(=O)N1CCC(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000257262963 572312305 /nfs/dbraw/zinc/31/23/05/572312305.db2.gz LNUDCGXRGMCBRY-UHFFFAOYSA-N 1 1 519.086 2.750 40 0 KFABMO COc1cccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257270483 572313006 /nfs/dbraw/zinc/31/30/06/572313006.db2.gz MUJOMUXTWIXCBV-UHFFFAOYSA-N 1 1 519.639 2.848 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257276352 572313536 /nfs/dbraw/zinc/31/35/36/572313536.db2.gz NTHWPPLVXWPVFD-AREMUKBSSA-N 1 1 519.639 2.848 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257276353 572313493 /nfs/dbraw/zinc/31/34/93/572313493.db2.gz NTHWPPLVXWPVFD-SANMLTNESA-N 1 1 519.639 2.848 40 0 KFABMO Cc1ccccc1S(=O)(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257281297 572313889 /nfs/dbraw/zinc/31/38/89/572313889.db2.gz OOMWAFAXWFLEDK-RUZDIDTESA-N 1 1 522.067 2.651 40 0 KFABMO Cc1ccccc1S(=O)(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257281298 572313951 /nfs/dbraw/zinc/31/39/51/572313951.db2.gz OOMWAFAXWFLEDK-VWLOTQADSA-N 1 1 522.067 2.651 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257281563 572313918 /nfs/dbraw/zinc/31/39/18/572313918.db2.gz OPWIUELPNUDOHI-AREMUKBSSA-N 1 1 501.649 2.709 40 0 KFABMO COc1ccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000257281564 572313932 /nfs/dbraw/zinc/31/39/32/572313932.db2.gz OPWIUELPNUDOHI-SANMLTNESA-N 1 1 501.649 2.709 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000257283733 572314227 /nfs/dbraw/zinc/31/42/27/572314227.db2.gz OZRCWCLJWGIYLV-UHFFFAOYSA-N 1 1 507.603 2.979 40 0 KFABMO CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257284228 572314357 /nfs/dbraw/zinc/31/43/57/572314357.db2.gz PBUWDAJSVSIONP-AVRDEDQJSA-N 1 1 518.456 2.739 40 0 KFABMO CCc1noc(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257287162 572314590 /nfs/dbraw/zinc/31/45/90/572314590.db2.gz POTWIFNUHCPUOR-RXVVDRJESA-N 1 1 548.482 2.787 40 0 KFABMO Cc1nn(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@H+]3Cc2ccc(Cl)cc2)c(C)[n+]1[N-][N+](=O)[O-] ZINC000257289403 572314759 /nfs/dbraw/zinc/31/47/59/572314759.db2.gz PYLXWRLFHZLVFO-VDKIKQQVSA-N 1 1 561.013 2.971 40 0 KFABMO Cn1cc(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257293636 572315311 /nfs/dbraw/zinc/31/53/11/572315311.db2.gz QQMMGICUHLYRNF-REWPJTCUSA-N 1 1 532.483 2.575 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CN3CCCCCC3=O)CC2)CC1 ZINC000257294531 572315273 /nfs/dbraw/zinc/31/52/73/572315273.db2.gz QUPAXVFTGAJBOE-UHFFFAOYSA-N 1 1 519.086 2.894 40 0 KFABMO Cc1cccc(S(=O)(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257294917 572315375 /nfs/dbraw/zinc/31/53/75/572315375.db2.gz QWHBJQMFMHKUII-RUZDIDTESA-N 1 1 522.067 2.651 40 0 KFABMO Cc1cccc(S(=O)(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257294918 572315394 /nfs/dbraw/zinc/31/53/94/572315394.db2.gz QWHBJQMFMHKUII-VWLOTQADSA-N 1 1 522.067 2.651 40 0 KFABMO O=C(CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257295698 572315403 /nfs/dbraw/zinc/31/54/03/572315403.db2.gz QZMQRIBUSZLERP-YTMVLYRLSA-N 1 1 540.730 2.944 40 0 KFABMO Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)on1 ZINC000257298203 572315647 /nfs/dbraw/zinc/31/56/47/572315647.db2.gz RKPZHYVRZCKPKG-PXNSSMCTSA-N 1 1 505.413 2.819 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257302753 572316199 /nfs/dbraw/zinc/31/61/99/572316199.db2.gz SEFAEFXEMHJSBC-UHFFFAOYSA-N 1 1 531.675 2.718 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257303479 572316229 /nfs/dbraw/zinc/31/62/29/572316229.db2.gz SHKYRRNWJRYKLM-HHHXNRCGSA-N 1 1 531.675 2.718 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257303480 572316148 /nfs/dbraw/zinc/31/61/48/572316148.db2.gz SHKYRRNWJRYKLM-MHZLTWQESA-N 1 1 531.675 2.718 40 0 KFABMO Cc1sc2ncn(CC(=O)N[C@@H]3C[C@@H](Oc4ccccc4)[C@H](O)[C@H]3[N@@H+](C)CCc3ccccn3)c(=O)c2c1C ZINC000257303548 572316137 /nfs/dbraw/zinc/31/61/37/572316137.db2.gz SHRANEUVCHOLGQ-YWUUFRFPSA-N 1 1 547.681 2.710 40 0 KFABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257304842 572316305 /nfs/dbraw/zinc/31/63/05/572316305.db2.gz SNJMEICWGMUPPM-UGKGYDQZSA-N 1 1 532.483 2.668 40 0 KFABMO CCc1noc(CCC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257306909 572316427 /nfs/dbraw/zinc/31/64/27/572316427.db2.gz SWNUMCWSHQNWCK-RXVVDRJESA-N 1 1 504.031 2.678 40 0 KFABMO CC(=O)N1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000257306917 572316407 /nfs/dbraw/zinc/31/64/07/572316407.db2.gz SWOJKNACOCZZOR-HHHXNRCGSA-N 1 1 519.086 2.750 40 0 KFABMO CC(=O)N1CCC(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000257306918 572316643 /nfs/dbraw/zinc/31/66/43/572316643.db2.gz SWOJKNACOCZZOR-MHZLTWQESA-N 1 1 519.086 2.750 40 0 KFABMO Cc1c(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cnn1C ZINC000257310998 572316958 /nfs/dbraw/zinc/31/69/58/572316958.db2.gz UHMNHEUZTBIIDT-URXFXBBRSA-N 1 1 502.059 2.775 40 0 KFABMO Cn1nccc1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257311415 572317007 /nfs/dbraw/zinc/31/70/07/572317007.db2.gz UJIFBUNDVSAKNO-CVDCTZTESA-N 1 1 532.483 2.575 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC000257313273 572317106 /nfs/dbraw/zinc/31/71/06/572317106.db2.gz URQAXZVPGYMEDY-AREMUKBSSA-N 1 1 505.059 2.504 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC000257313274 572317071 /nfs/dbraw/zinc/31/70/71/572317071.db2.gz URQAXZVPGYMEDY-SANMLTNESA-N 1 1 505.059 2.504 40 0 KFABMO CCc1noc(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257314445 572317291 /nfs/dbraw/zinc/31/72/91/572317291.db2.gz UWZIDGAZQPIGBT-RXVVDRJESA-N 1 1 504.031 2.678 40 0 KFABMO Cc1ocnc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257317688 572317499 /nfs/dbraw/zinc/31/74/99/572317499.db2.gz VKUKQCUDCFWNOE-PXNSSMCTSA-N 1 1 505.413 2.819 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CCN3CCCC3=O)CC2)CC1 ZINC000257319818 572317815 /nfs/dbraw/zinc/31/78/15/572317815.db2.gz VUEOQWFCVNGYHV-UHFFFAOYSA-N 1 1 505.059 2.504 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)CCN3CCCC3=O)CC2)CC1 ZINC000257321140 572318052 /nfs/dbraw/zinc/31/80/52/572318052.db2.gz WAFLVUVASHORFT-UHFFFAOYSA-N 1 1 505.059 2.504 40 0 KFABMO COc1cccc(C(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257321833 572318004 /nfs/dbraw/zinc/31/80/04/572318004.db2.gz WDLDDJFUEJUFPQ-AREMUKBSSA-N 1 1 502.011 2.803 40 0 KFABMO COc1cccc(C(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257321834 572318013 /nfs/dbraw/zinc/31/80/13/572318013.db2.gz WDLDDJFUEJUFPQ-SANMLTNESA-N 1 1 502.011 2.803 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CN(C(=O)c3cccnc3Cl)CCO2)CC1 ZINC000257322322 572318113 /nfs/dbraw/zinc/31/81/13/572318113.db2.gz WFMKHYUGKHALQT-DEOSSOPVSA-N 1 1 507.418 2.843 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CN(C(=O)c3cccnc3Cl)CCO2)CC1 ZINC000257322323 572318073 /nfs/dbraw/zinc/31/80/73/572318073.db2.gz WFMKHYUGKHALQT-XMMPIXPASA-N 1 1 507.418 2.843 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cnc(N4CCCCC4)nc3)CCO2)CC1 ZINC000257330334 572318923 /nfs/dbraw/zinc/31/89/23/572318923.db2.gz XNXUMYMNOMIQRS-MUUNZHRXSA-N 1 1 543.112 2.934 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3cnc(N4CCCCC4)nc3)CCO2)CC1 ZINC000257330335 572318950 /nfs/dbraw/zinc/31/89/50/572318950.db2.gz XNXUMYMNOMIQRS-NDEPHWFRSA-N 1 1 543.112 2.934 40 0 KFABMO COCCn1c(C)cc(CN2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257330359 572318910 /nfs/dbraw/zinc/31/89/10/572318910.db2.gz XOATXPQLIYWDSG-MUUNZHRXSA-N 1 1 516.658 2.705 40 0 KFABMO COCCn1c(C)cc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257330360 572318900 /nfs/dbraw/zinc/31/89/00/572318900.db2.gz XOATXPQLIYWDSG-NDEPHWFRSA-N 1 1 516.658 2.705 40 0 KFABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000257333061 572319100 /nfs/dbraw/zinc/31/91/00/572319100.db2.gz XZYCZNALZXATBR-UHFFFAOYSA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCCCC3=O)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257334223 572319187 /nfs/dbraw/zinc/31/91/87/572319187.db2.gz YFBRCIVFWBJBGV-REWPJTCUSA-N 1 1 505.059 2.503 40 0 KFABMO Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257336323 572319440 /nfs/dbraw/zinc/31/94/40/572319440.db2.gz YNXSRALKYJLSGB-AVRDEDQJSA-N 1 1 518.456 2.565 40 0 KFABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257339234 572319746 /nfs/dbraw/zinc/31/97/46/572319746.db2.gz ZAVHUNJSMNXOFO-XCZPVHLTSA-N 1 1 526.703 2.901 40 0 KFABMO Cn1cc(CCC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257341859 572320008 /nfs/dbraw/zinc/32/00/08/572320008.db2.gz ZMFJBHMMLOBVCC-AREMUKBSSA-N 1 1 502.059 2.858 40 0 KFABMO Cn1cc(CCC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257341860 572319978 /nfs/dbraw/zinc/31/99/78/572319978.db2.gz ZMFJBHMMLOBVCC-SANMLTNESA-N 1 1 502.059 2.858 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3c(F)cccc3F)C2)CC1 ZINC000257342637 572320089 /nfs/dbraw/zinc/32/00/89/572320089.db2.gz ZPNDBFWUNBWKAD-RUZDIDTESA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3c(F)cccc3F)C2)CC1 ZINC000257342638 572319985 /nfs/dbraw/zinc/31/99/85/572319985.db2.gz ZPNDBFWUNBWKAD-VWLOTQADSA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCCCC3=O)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257342729 572320070 /nfs/dbraw/zinc/32/00/70/572320070.db2.gz ZPXCVKCOSKKOAN-REWPJTCUSA-N 1 1 505.059 2.503 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257344531 572320314 /nfs/dbraw/zinc/32/03/14/572320314.db2.gz ZXSCQCZANJBDAU-RUZDIDTESA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257344532 572320319 /nfs/dbraw/zinc/32/03/19/572320319.db2.gz ZXSCQCZANJBDAU-VWLOTQADSA-N 1 1 507.603 2.979 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCCCC3=O)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257345005 572320285 /nfs/dbraw/zinc/32/02/85/572320285.db2.gz ZZOCFJAOPXHOGN-REWPJTCUSA-N 1 1 549.510 2.612 40 0 KFABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccccc32)cc1 ZINC000260890896 571804562 /nfs/dbraw/zinc/80/45/62/571804562.db2.gz UUIBQHRSSUTQFK-HHHXNRCGSA-N 1 1 537.638 2.800 40 0 KFABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccccc32)cc1 ZINC000260902848 571826552 /nfs/dbraw/zinc/82/65/52/571826552.db2.gz WZFSLNAHVCULSW-HHHXNRCGSA-N 1 1 537.638 2.800 40 0 KFABMO 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 ZINC000261184439 572102963 /nfs/dbraw/zinc/10/29/63/572102963.db2.gz WXRGFPHDRFQODR-JTKRFKOTSA-N 1 1 539.681 2.852 40 0 in-vitro KFABMO CCC(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 ZINC000299818020 572140470 /nfs/dbraw/zinc/14/04/70/572140470.db2.gz YLXBZBPHTNJZQE-ATPVAOAWSA-N 1 1 591.753 2.911 40 0 world KFABMO CCC(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 ZINC000299818021 572140502 /nfs/dbraw/zinc/14/05/02/572140502.db2.gz YLXBZBPHTNJZQE-LSKWPJNVSA-N 1 1 591.753 2.911 40 0 world KFABMO CCC(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 ZINC000299818022 572140484 /nfs/dbraw/zinc/14/04/84/572140484.db2.gz YLXBZBPHTNJZQE-WWQMJVPQSA-N 1 1 591.753 2.911 40 0 world KFABMO 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 ZINC000301055156 572143123 /nfs/dbraw/zinc/14/31/23/572143123.db2.gz WXRGFPHDRFQODR-HZLPDVBGSA-N 1 1 539.681 2.852 40 0 KFABMO 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 ZINC000301055157 572143167 /nfs/dbraw/zinc/14/31/67/572143167.db2.gz WXRGFPHDRFQODR-LNEBKTTKSA-N 1 1 539.681 2.852 40 0 KFABMO 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 ZINC000301055158 572143239 /nfs/dbraw/zinc/14/32/39/572143239.db2.gz WXRGFPHDRFQODR-WOLJRWFJSA-N 1 1 539.681 2.852 40 0 in-vitro KFABMO Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408573007 572258504 /nfs/dbraw/zinc/25/85/04/572258504.db2.gz BCNIVYOTTZSKFZ-FQEVSTJZSA-N 1 1 529.037 2.857 40 0 KFABMO Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408573013 572258486 /nfs/dbraw/zinc/25/84/86/572258486.db2.gz BCNIVYOTTZSKFZ-HXUWFJFHSA-N 1 1 529.037 2.857 40 0 KFABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408574163 572259312 /nfs/dbraw/zinc/25/93/12/572259312.db2.gz CRAPJVJEHZVBKW-IBGZPJMESA-N 1 1 559.461 2.658 40 0 KFABMO O=C(COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408574164 572259317 /nfs/dbraw/zinc/25/93/17/572259317.db2.gz CRAPJVJEHZVBKW-LJQANCHMSA-N 1 1 559.461 2.658 40 0 KFABMO Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1C ZINC000408574955 572260113 /nfs/dbraw/zinc/26/01/13/572260113.db2.gz DTDQTQCJICEBTE-JOCHJYFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1C ZINC000408574964 572260107 /nfs/dbraw/zinc/26/01/07/572260107.db2.gz DTDQTQCJICEBTE-QFIPXVFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408576438 572261212 /nfs/dbraw/zinc/26/12/12/572261212.db2.gz HDJZJIWABOLKCY-FQEVSTJZSA-N 1 1 529.037 2.857 40 0 KFABMO Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408576440 572261274 /nfs/dbraw/zinc/26/12/74/572261274.db2.gz HDJZJIWABOLKCY-HXUWFJFHSA-N 1 1 529.037 2.857 40 0 KFABMO CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408576930 572261560 /nfs/dbraw/zinc/26/15/60/572261560.db2.gz HJQIOZFWGPHGAO-NRFANRHFSA-N 1 1 508.619 2.919 40 0 KFABMO CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408576933 572261578 /nfs/dbraw/zinc/26/15/78/572261578.db2.gz HJQIOZFWGPHGAO-OAQYLSRUSA-N 1 1 508.619 2.919 40 0 KFABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)cc1Cl ZINC000408577115 572261789 /nfs/dbraw/zinc/26/17/89/572261789.db2.gz IFPQHLAUOCXKLR-FQEVSTJZSA-N 1 1 529.037 2.857 40 0 KFABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)cc1Cl ZINC000408577117 572261779 /nfs/dbraw/zinc/26/17/79/572261779.db2.gz IFPQHLAUOCXKLR-HXUWFJFHSA-N 1 1 529.037 2.857 40 0 KFABMO Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408577709 572262261 /nfs/dbraw/zinc/26/22/61/572262261.db2.gz JAWYWUXVTDYYDK-FQEVSTJZSA-N 1 1 573.488 2.966 40 0 KFABMO Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408577712 572262213 /nfs/dbraw/zinc/26/22/13/572262213.db2.gz JAWYWUXVTDYYDK-HXUWFJFHSA-N 1 1 573.488 2.966 40 0 KFABMO CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408578248 572262814 /nfs/dbraw/zinc/26/28/14/572262814.db2.gz KNBUMHMSEVGGMH-NRFANRHFSA-N 1 1 508.619 2.918 40 0 KFABMO CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408578249 572262848 /nfs/dbraw/zinc/26/28/48/572262848.db2.gz KNBUMHMSEVGGMH-OAQYLSRUSA-N 1 1 508.619 2.918 40 0 KFABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1 ZINC000408578313 572262913 /nfs/dbraw/zinc/26/29/13/572262913.db2.gz KSENDFRXBUSUEX-IBGZPJMESA-N 1 1 515.010 2.549 40 0 KFABMO O=C(COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1 ZINC000408578315 572262943 /nfs/dbraw/zinc/26/29/43/572262943.db2.gz KSENDFRXBUSUEX-LJQANCHMSA-N 1 1 515.010 2.549 40 0 KFABMO Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c(C)c1 ZINC000408578672 572263267 /nfs/dbraw/zinc/26/32/67/572263267.db2.gz LLADXONINRDWIE-HSZRJFAPSA-N 1 1 522.646 2.821 40 0 KFABMO Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c(C)c1 ZINC000408578674 572263261 /nfs/dbraw/zinc/26/32/61/572263261.db2.gz LLADXONINRDWIE-QHCPKHFHSA-N 1 1 522.646 2.821 40 0 KFABMO Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)ccc1Br ZINC000408580112 572264086 /nfs/dbraw/zinc/26/40/86/572264086.db2.gz QBQCOAQBHMVDQL-FQEVSTJZSA-N 1 1 573.488 2.966 40 0 KFABMO Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)ccc1Br ZINC000408580113 572264106 /nfs/dbraw/zinc/26/41/06/572264106.db2.gz QBQCOAQBHMVDQL-HXUWFJFHSA-N 1 1 573.488 2.966 40 0 KFABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408580391 572264200 /nfs/dbraw/zinc/26/42/00/572264200.db2.gz QLWCOJTVMOUCRB-IBGZPJMESA-N 1 1 548.562 2.914 40 0 KFABMO O=C(COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408580395 572264184 /nfs/dbraw/zinc/26/41/84/572264184.db2.gz QLWCOJTVMOUCRB-LJQANCHMSA-N 1 1 548.562 2.914 40 0 KFABMO Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1 ZINC000408580801 572264255 /nfs/dbraw/zinc/26/42/55/572264255.db2.gz RKPLSXPPONETPM-JOCHJYFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1 ZINC000408580804 572264217 /nfs/dbraw/zinc/26/42/17/572264217.db2.gz RKPLSXPPONETPM-QFIPXVFZSA-N 1 1 508.619 2.512 40 0 KFABMO CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408580974 572264343 /nfs/dbraw/zinc/26/43/43/572264343.db2.gz SDMKPHGWTZQJNO-HSZRJFAPSA-N 1 1 522.646 2.766 40 0 KFABMO CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408580975 572264313 /nfs/dbraw/zinc/26/43/13/572264313.db2.gz SDMKPHGWTZQJNO-QHCPKHFHSA-N 1 1 522.646 2.766 40 0 KFABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c(C)c1 ZINC000408581861 572264611 /nfs/dbraw/zinc/26/46/11/572264611.db2.gz UWVWMEBVAUGMPG-JOCHJYFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c(C)c1 ZINC000408581862 572264605 /nfs/dbraw/zinc/26/46/05/572264605.db2.gz UWVWMEBVAUGMPG-QFIPXVFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408581874 572264671 /nfs/dbraw/zinc/26/46/71/572264671.db2.gz UYJGBTVTPJESHR-JOCHJYFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408581877 572264664 /nfs/dbraw/zinc/26/46/64/572264664.db2.gz UYJGBTVTPJESHR-QFIPXVFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1 ZINC000408582134 572264733 /nfs/dbraw/zinc/26/47/33/572264733.db2.gz VPSPRHRVWZILGX-JOCHJYFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1 ZINC000408582135 572264745 /nfs/dbraw/zinc/26/47/45/572264745.db2.gz VPSPRHRVWZILGX-QFIPXVFZSA-N 1 1 508.619 2.512 40 0 KFABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000408582439 572264870 /nfs/dbraw/zinc/26/48/70/572264870.db2.gz WMYKNDLXNLADKM-IBGZPJMESA-N 1 1 515.010 2.549 40 0 KFABMO O=C(COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000408582441 572264893 /nfs/dbraw/zinc/26/48/93/572264893.db2.gz WMYKNDLXNLADKM-LJQANCHMSA-N 1 1 515.010 2.549 40 0 KFABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)cc1C ZINC000408582484 572264911 /nfs/dbraw/zinc/26/49/11/572264911.db2.gz WSGDAOFKYAGGCH-JOCHJYFZSA-N 1 1 508.619 2.512 40 0 KFABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)cc1C ZINC000408582488 572264906 /nfs/dbraw/zinc/26/49/06/572264906.db2.gz WSGDAOFKYAGGCH-QFIPXVFZSA-N 1 1 508.619 2.512 40 0 KFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408583060 572265240 /nfs/dbraw/zinc/26/52/40/572265240.db2.gz YLEIUHKWYILTFO-GOSISDBHSA-N 1 1 529.435 2.893 40 0 KFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408583061 572265189 /nfs/dbraw/zinc/26/51/89/572265189.db2.gz YLEIUHKWYILTFO-SFHVURJKSA-N 1 1 529.435 2.893 40 0 KFABMO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCC[NH+]1CCOCC1 ZINC000408589476 572267202 /nfs/dbraw/zinc/26/72/02/572267202.db2.gz FUBKIHSEWHDILW-UHFFFAOYSA-N 1 1 501.527 2.724 40 0 KFABMO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000408593382 572269216 /nfs/dbraw/zinc/26/92/16/572269216.db2.gz NLYYJPHSLPBNAE-UHFFFAOYSA-N 1 1 508.040 2.699 40 0 KFABMO COCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408601747 572273026 /nfs/dbraw/zinc/27/30/26/572273026.db2.gz GZUBMDKJSNDZPR-UHFFFAOYSA-N 1 1 523.655 2.924 40 0 KFABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)cc1Br ZINC000408610472 572276214 /nfs/dbraw/zinc/27/62/14/572276214.db2.gz QZSKRMAAEOPVGU-UHFFFAOYSA-N 1 1 540.480 2.800 40 0 KFABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408615465 572278206 /nfs/dbraw/zinc/27/82/06/572278206.db2.gz AOGOUUBDNJYUPS-UHFFFAOYSA-N 1 1 507.678 2.841 40 0 KFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(Br)cc2)cc1 ZINC000408615477 572278244 /nfs/dbraw/zinc/27/82/44/572278244.db2.gz ASAOUXCRYCENGL-UHFFFAOYSA-N 1 1 510.454 2.791 40 0 KFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cccc(Br)c2)cc1 ZINC000408615502 572278302 /nfs/dbraw/zinc/27/83/02/572278302.db2.gz BBSZEFLMCYLMLJ-UHFFFAOYSA-N 1 1 510.454 2.791 40 0 KFABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000408617063 572279192 /nfs/dbraw/zinc/27/91/92/572279192.db2.gz FBJKMORBHSSVHP-UHFFFAOYSA-N 1 1 507.678 2.841 40 0 KFABMO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000408618273 572279972 /nfs/dbraw/zinc/27/99/72/572279972.db2.gz FMKFZINUXHCVNY-UHFFFAOYSA-N 1 1 524.481 2.521 40 0 KFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(C)c(Cl)c1 ZINC000408620019 572280823 /nfs/dbraw/zinc/28/08/23/572280823.db2.gz IRTHBTOXSAFFNK-UHFFFAOYSA-N 1 1 510.056 2.999 40 0 KFABMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408620781 572281261 /nfs/dbraw/zinc/28/12/61/572281261.db2.gz MAOVGJPEIWVZJD-UHFFFAOYSA-N 1 1 526.055 2.699 40 0 KFABMO Cc1ccc(CN(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408620821 572281377 /nfs/dbraw/zinc/28/13/77/572281377.db2.gz MEZISNZAONDAST-UHFFFAOYSA-N 1 1 524.481 2.787 40 0 KFABMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000408623202 572282605 /nfs/dbraw/zinc/28/26/05/572282605.db2.gz ROJUDQCECLADGE-UHFFFAOYSA-N 1 1 502.475 2.611 40 0 KFABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccc(Br)cc2)cc1 ZINC000408626677 572284147 /nfs/dbraw/zinc/28/41/47/572284147.db2.gz ZWBHOKJCXDNJDR-UHFFFAOYSA-N 1 1 524.481 2.787 40 0 KFABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408628464 572284800 /nfs/dbraw/zinc/28/48/00/572284800.db2.gz XUAQKKHPWZOVRR-UHFFFAOYSA-N 1 1 540.480 2.882 40 0 KFABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)c(Cl)c2)cc1 ZINC000408635705 572292656 /nfs/dbraw/zinc/29/26/56/572292656.db2.gz HNPPPHUJBDXIQV-UHFFFAOYSA-N 1 1 512.028 2.757 40 0 KFABMO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038124 1059654173 /nfs/dbraw/zinc/65/41/73/1059654173.db2.gz DQWXIDUVMDJDSB-VEOZPNHKSA-N 1 1 580.707 2.939 40 0 KFABMO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038129 1059031608 /nfs/dbraw/zinc/03/16/08/1059031608.db2.gz DQWXIDUVMDJDSB-ZEKHAJRLSA-N 1 1 580.707 2.939 40 0 KFABMO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000409110073 1059685683 /nfs/dbraw/zinc/68/56/83/1059685683.db2.gz QVWWZXNMHSILFB-UHFFFAOYSA-N 1 1 509.628 2.916 40 0 KFABMO COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1OC ZINC000409197538 1059714907 /nfs/dbraw/zinc/71/49/07/1059714907.db2.gz IDURNJAMPUJFKP-UHFFFAOYSA-N 1 1 553.681 2.948 40 0 KFABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1OCC(=O)N1CCCC1 ZINC000409253620 1059721897 /nfs/dbraw/zinc/72/18/97/1059721897.db2.gz XLMDLWFOGOMMSL-UHFFFAOYSA-N 1 1 517.433 2.614 40 0 KFABMO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](C[N@H+]4CC4CCCCC4)NC3=O)O2)cn1 ZINC000514287415 1059001302 /nfs/dbraw/zinc/00/13/02/1059001302.db2.gz AFBBLNNBKAEJMI-INWNYEGYSA-N 1 1 565.715 2.647 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)C(C)(C)C)CC3=O)CC1 ZINC000514287431 1059543693 /nfs/dbraw/zinc/54/36/93/1059543693.db2.gz BLCJUIGUKIXQBO-IKUOTUDNSA-N 1 1 510.679 2.639 40 0 KFABMO CC1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5cnn(C)c5)ccc4C(=O)N3)CC[C@@H]2O)CC1 ZINC000514287455 1059544159 /nfs/dbraw/zinc/54/41/59/1059544159.db2.gz DAAKMIAVZINODR-UMFQJKTESA-N 1 1 565.715 2.646 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)[N@H+](C1Cc3ccccc3C1)C2 ZINC000514287464 1059544081 /nfs/dbraw/zinc/54/40/81/1059544081.db2.gz DQUSTNYOSMDREA-PLFSHAIMSA-N 1 1 582.701 2.896 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@@H+](CC1CC1)C2 ZINC000514287474 1059544317 /nfs/dbraw/zinc/54/43/17/1059544317.db2.gz FGCVUADESWWBMV-ZUGAHZRVSA-N 1 1 511.663 2.734 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@H+](CC1CC1)C2 ZINC000514287474 1059544294 /nfs/dbraw/zinc/54/42/94/1059544294.db2.gz FGCVUADESWWBMV-ZUGAHZRVSA-N 1 1 511.663 2.734 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2ccncc2)CC3=O)CC1 ZINC000514287493 1059544229 /nfs/dbraw/zinc/54/42/29/1059544229.db2.gz GFQSZBWPVNYQBX-BBZQIAPLSA-N 1 1 517.674 2.661 40 0 KFABMO CC(C)(C)C[N@H+]1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccncc4)ccc3C(=O)N2)CC[C@@H]1O ZINC000514287500 1059544960 /nfs/dbraw/zinc/54/49/60/1059544960.db2.gz GUHIHEQLZSFMSW-ZUGAHZRVSA-N 1 1 536.673 2.775 40 0 KFABMO CC(C)(C)C[N@@H+]1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccncc4)ccc3C(=O)N2)CC[C@@H]1O ZINC000514287500 1059544937 /nfs/dbraw/zinc/54/49/37/1059544937.db2.gz GUHIHEQLZSFMSW-ZUGAHZRVSA-N 1 1 536.673 2.775 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)c2ccccc2)CC3=O)CC1 ZINC000514287555 1059544805 /nfs/dbraw/zinc/54/48/05/1059544805.db2.gz LEEGHMCYJPZLCW-TUKPBSOISA-N 1 1 530.669 2.906 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)[N@H+](C1CCCC1)C2 ZINC000514287624 1059545487 /nfs/dbraw/zinc/54/54/87/1059545487.db2.gz RKAGNXPFIDLFOJ-QIXRUXETSA-N 1 1 534.657 2.671 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@H+](C1CCC1)C2 ZINC000514287635 1059545708 /nfs/dbraw/zinc/54/57/08/1059545708.db2.gz SCKYZYVQNRCKLL-QIJYUAQKSA-N 1 1 511.663 2.877 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](C1CCOCC1)C2 ZINC000514287636 1059545617 /nfs/dbraw/zinc/54/56/17/1059545617.db2.gz SEGCZUJZAMBPSR-USJHEHEUSA-N 1 1 549.668 2.513 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@H+](C1CCOCC1)C2 ZINC000514287646 1059545565 /nfs/dbraw/zinc/54/55/65/1059545565.db2.gz SWXPYECLULZMBB-QIXRUXETSA-N 1 1 541.689 2.503 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@@H+](CC1CC1)C2 ZINC000514287663 1059545443 /nfs/dbraw/zinc/54/54/43/1059545443.db2.gz WSCZTPWZSNCFQF-WKRKAGLOSA-N 1 1 519.642 2.744 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](CC1CC1)C2 ZINC000514287663 1059545430 /nfs/dbraw/zinc/54/54/30/1059545430.db2.gz WSCZTPWZSNCFQF-WKRKAGLOSA-N 1 1 519.642 2.744 40 0 KFABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](C1CCC1)C2 ZINC000514287690 1059546070 /nfs/dbraw/zinc/54/60/70/1059546070.db2.gz YPNXCWIKDZHKHK-QIXRUXETSA-N 1 1 519.642 2.886 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2cccnc2)CC3=O)CC1 ZINC000514287702 1059546151 /nfs/dbraw/zinc/54/61/51/1059546151.db2.gz ZRHGJWBOJVZNCT-VRDOGFHWSA-N 1 1 517.674 2.661 40 0 KFABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4ccc(OC(F)(F)F)cc4)C3)C2)c1 ZINC000514289913 560031578 /nfs/dbraw/zinc/03/15/78/560031578.db2.gz PXVOBVNTCSYIJZ-FCHUYYIVSA-N 1 1 505.537 2.877 40 0 biogenic,in-vitro KFABMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4ccc(OC(F)(F)F)cc4)C3)C2)c1 ZINC000514290318 560030055 /nfs/dbraw/zinc/03/00/55/560030055.db2.gz XFVIGXZIWFCJEH-LEWJYISDSA-N 1 1 519.520 2.517 40 0 biogenic,in-vitro KFABMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4ccc(OC(F)(F)F)cc4)C3)C2)c1 ZINC000514290318 560030054 /nfs/dbraw/zinc/03/00/54/560030054.db2.gz XFVIGXZIWFCJEH-LEWJYISDSA-N 1 1 519.520 2.517 40 0 biogenic,in-vitro KFABMO COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)c1 ZINC000575423419 1059429386 /nfs/dbraw/zinc/42/93/86/1059429386.db2.gz QCEFZJGVMCIVSX-BJKOFHAPSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)c1 ZINC000575423430 1059429305 /nfs/dbraw/zinc/42/93/05/1059429305.db2.gz QCEFZJGVMCIVSX-DNQXCXABSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)c1 ZINC000575423431 1059430130 /nfs/dbraw/zinc/43/01/30/1059430130.db2.gz QCEFZJGVMCIVSX-RPWUZVMVSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)c1 ZINC000575423434 1059430298 /nfs/dbraw/zinc/43/02/98/1059430298.db2.gz QCEFZJGVMCIVSX-ZEQRLZLVSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)c(OC)c1 ZINC000575425556 1059433234 /nfs/dbraw/zinc/43/32/34/1059433234.db2.gz GIACHNZCFUCYEK-BJKOFHAPSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)c(OC)c1 ZINC000575425557 1059433105 /nfs/dbraw/zinc/43/31/05/1059433105.db2.gz GIACHNZCFUCYEK-DNQXCXABSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)c(OC)c1 ZINC000575425558 1059433184 /nfs/dbraw/zinc/43/31/84/1059433184.db2.gz GIACHNZCFUCYEK-RPWUZVMVSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)c(OC)c1 ZINC000575425559 1059433219 /nfs/dbraw/zinc/43/32/19/1059433219.db2.gz GIACHNZCFUCYEK-ZEQRLZLVSA-N 1 1 530.668 2.850 40 0 KFABMO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575425917 1059433144 /nfs/dbraw/zinc/43/31/44/1059433144.db2.gz JBEOTTKQXHMHFT-DQEYMECFSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575425918 1059433123 /nfs/dbraw/zinc/43/31/23/1059433123.db2.gz JBEOTTKQXHMHFT-JWQCQUIFSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000575425919 1059433172 /nfs/dbraw/zinc/43/31/72/1059433172.db2.gz JBEOTTKQXHMHFT-LOSJGSFVSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000575425920 1059433160 /nfs/dbraw/zinc/43/31/60/1059433160.db2.gz JBEOTTKQXHMHFT-RPBOFIJWSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1NC(C)=O ZINC000575425933 1059434199 /nfs/dbraw/zinc/43/41/99/1059434199.db2.gz JIGZGUXAMDFDIO-CLJLJLNGSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1NC(C)=O ZINC000575425934 1059434152 /nfs/dbraw/zinc/43/41/52/1059434152.db2.gz JIGZGUXAMDFDIO-FTJBHMTQSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)cc1NC(C)=O ZINC000575425935 1059425556 /nfs/dbraw/zinc/42/55/56/1059425556.db2.gz JIGZGUXAMDFDIO-IZZNHLLZSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)cc1NC(C)=O ZINC000575425936 1059434136 /nfs/dbraw/zinc/43/41/36/1059434136.db2.gz JIGZGUXAMDFDIO-UIOOFZCWSA-N 1 1 557.694 2.800 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575426412 1059435381 /nfs/dbraw/zinc/43/53/81/1059435381.db2.gz SRBLGIZPSKPQGX-DQEYMECFSA-N 1 1 500.642 2.842 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575426413 1059435243 /nfs/dbraw/zinc/43/52/43/1059435243.db2.gz SRBLGIZPSKPQGX-JWQCQUIFSA-N 1 1 500.642 2.842 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575426414 1059435319 /nfs/dbraw/zinc/43/53/19/1059435319.db2.gz SRBLGIZPSKPQGX-LOSJGSFVSA-N 1 1 500.642 2.842 40 0 KFABMO COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000575426415 1059435440 /nfs/dbraw/zinc/43/54/40/1059435440.db2.gz SRBLGIZPSKPQGX-RPBOFIJWSA-N 1 1 500.642 2.842 40 0 KFABMO COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCC[N@@H+]2CCCc2cc4c(cc2[C@@H]13)OCO4 ZINC000584578334 1059435418 /nfs/dbraw/zinc/43/54/18/1059435418.db2.gz SAQQTEBPVCYXIV-QDXOBKQDSA-N 1 1 559.656 2.971 40 0 KFABMO COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCC[N@@H+]2CCCc2cc4c(cc2[C@@H]13)OCO4 ZINC000584578339 1059049900 /nfs/dbraw/zinc/04/99/00/1059049900.db2.gz XCQSDILKDNEYNV-XHZCKAMJSA-N 1 1 545.629 2.581 40 0 KFABMO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)n1 ZINC000585263399 1059050642 /nfs/dbraw/zinc/05/06/42/1059050642.db2.gz YKBSIANXVKTSSK-UHFFFAOYSA-N 1 1 521.691 2.968 40 0 KFABMO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)n1 ZINC000585263424 1059050595 /nfs/dbraw/zinc/05/05/95/1059050595.db2.gz ZBCVIIKAHQESNI-UHFFFAOYSA-N 1 1 521.691 2.968 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585270274 1059051465 /nfs/dbraw/zinc/05/14/65/1059051465.db2.gz BCVMHMHRHRDHMO-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585270274 1059051459 /nfs/dbraw/zinc/05/14/59/1059051459.db2.gz BCVMHMHRHRDHMO-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585270279 1059052050 /nfs/dbraw/zinc/05/20/50/1059052050.db2.gz BCVMHMHRHRDHMO-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585270279 1059052029 /nfs/dbraw/zinc/05/20/29/1059052029.db2.gz BCVMHMHRHRDHMO-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585270314 1059051802 /nfs/dbraw/zinc/05/18/02/1059051802.db2.gz BKPLNCRKWQTZOF-HKBQPEDESA-N 1 1 553.700 2.959 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585270314 1059051782 /nfs/dbraw/zinc/05/17/82/1059051782.db2.gz BKPLNCRKWQTZOF-HKBQPEDESA-N 1 1 553.700 2.959 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585270317 1059052336 /nfs/dbraw/zinc/05/23/36/1059052336.db2.gz BKPLNCRKWQTZOF-WJOKGBTCSA-N 1 1 553.700 2.959 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585270317 1059052313 /nfs/dbraw/zinc/05/23/13/1059052313.db2.gz BKPLNCRKWQTZOF-WJOKGBTCSA-N 1 1 553.700 2.959 40 0 KFABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585270349 1059052379 /nfs/dbraw/zinc/05/23/79/1059052379.db2.gz VGKXEUJAQBNPKN-IBGZPJMESA-N 1 1 506.525 2.786 40 0 KFABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585270352 1059052005 /nfs/dbraw/zinc/05/20/05/1059052005.db2.gz VGKXEUJAQBNPKN-LJQANCHMSA-N 1 1 506.525 2.786 40 0 KFABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585270933 1059052183 /nfs/dbraw/zinc/05/21/83/1059052183.db2.gz DSCZYTHOEPMKMO-GDLZYMKVSA-N 1 1 509.647 2.861 40 0 KFABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585270933 1059052162 /nfs/dbraw/zinc/05/21/62/1059052162.db2.gz DSCZYTHOEPMKMO-GDLZYMKVSA-N 1 1 509.647 2.861 40 0 KFABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585270940 1059051868 /nfs/dbraw/zinc/05/18/68/1059051868.db2.gz DSCZYTHOEPMKMO-LJAQVGFWSA-N 1 1 509.647 2.861 40 0 KFABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585270940 1059051846 /nfs/dbraw/zinc/05/18/46/1059051846.db2.gz DSCZYTHOEPMKMO-LJAQVGFWSA-N 1 1 509.647 2.861 40 0 KFABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585271504 1059052222 /nfs/dbraw/zinc/05/22/22/1059052222.db2.gz IENWTOSRGHBITG-PMERELPUSA-N 1 1 570.662 2.773 40 0 KFABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585271510 1059051912 /nfs/dbraw/zinc/05/19/12/1059051912.db2.gz IENWTOSRGHBITG-SSEXGKCCSA-N 1 1 570.662 2.773 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cccn1 ZINC000585271548 1059052711 /nfs/dbraw/zinc/05/27/11/1059052711.db2.gz IKHZHEPOCDMUBQ-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cccn1 ZINC000585271548 1059052690 /nfs/dbraw/zinc/05/26/90/1059052690.db2.gz IKHZHEPOCDMUBQ-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cccn1 ZINC000585271562 1059052121 /nfs/dbraw/zinc/05/21/21/1059052121.db2.gz IKHZHEPOCDMUBQ-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cccn1 ZINC000585271562 1059052098 /nfs/dbraw/zinc/05/20/98/1059052098.db2.gz IKHZHEPOCDMUBQ-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO CCOc1cc(C[N@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 ZINC000585272011 1059058384 /nfs/dbraw/zinc/05/83/84/1059058384.db2.gz IMTCLRHCFBGSBR-PMERELPUSA-N 1 1 524.706 2.555 40 0 KFABMO CCOc1cc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 ZINC000585272011 1059058365 /nfs/dbraw/zinc/05/83/65/1059058365.db2.gz IMTCLRHCFBGSBR-PMERELPUSA-N 1 1 524.706 2.555 40 0 KFABMO CCOc1cc(C[N@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 ZINC000585272016 1059058924 /nfs/dbraw/zinc/05/89/24/1059058924.db2.gz IMTCLRHCFBGSBR-SSEXGKCCSA-N 1 1 524.706 2.555 40 0 KFABMO CCOc1cc(C[N@@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1 ZINC000585272016 1059058902 /nfs/dbraw/zinc/05/89/02/1059058902.db2.gz IMTCLRHCFBGSBR-SSEXGKCCSA-N 1 1 524.706 2.555 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585272150 1059051191 /nfs/dbraw/zinc/05/11/91/1059051191.db2.gz GSMOQPIBKFPHQN-JGCGQSQUSA-N 1 1 574.678 2.520 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585272150 1059051170 /nfs/dbraw/zinc/05/11/70/1059051170.db2.gz GSMOQPIBKFPHQN-JGCGQSQUSA-N 1 1 574.678 2.520 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585272163 1059051034 /nfs/dbraw/zinc/05/10/34/1059051034.db2.gz GSMOQPIBKFPHQN-YTTGMZPUSA-N 1 1 574.678 2.520 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585272163 1059051019 /nfs/dbraw/zinc/05/10/19/1059051019.db2.gz GSMOQPIBKFPHQN-YTTGMZPUSA-N 1 1 574.678 2.520 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585272183 1059051259 /nfs/dbraw/zinc/05/12/59/1059051259.db2.gz GXZWQKPBPZDZAZ-GDLZYMKVSA-N 1 1 540.636 2.900 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585272192 1059051348 /nfs/dbraw/zinc/05/13/48/1059051348.db2.gz GXZWQKPBPZDZAZ-LJAQVGFWSA-N 1 1 540.636 2.900 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585272211 1059051500 /nfs/dbraw/zinc/05/15/00/1059051500.db2.gz HBWLGDVZPNOERK-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585272216 1059051075 /nfs/dbraw/zinc/05/10/75/1059051075.db2.gz HBWLGDVZPNOERK-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585272310 1059052600 /nfs/dbraw/zinc/05/26/00/1059052600.db2.gz MHHMGQUUIBBNQC-PMERELPUSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585272313 1059053293 /nfs/dbraw/zinc/05/32/93/1059053293.db2.gz MHHMGQUUIBBNQC-SSEXGKCCSA-N 1 1 552.672 2.688 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585272314 1059053108 /nfs/dbraw/zinc/05/31/08/1059053108.db2.gz MIXXGUVZLXYABK-HKBQPEDESA-N 1 1 566.699 2.942 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585272323 1059053018 /nfs/dbraw/zinc/05/30/18/1059053018.db2.gz MIXXGUVZLXYABK-WJOKGBTCSA-N 1 1 566.699 2.942 40 0 KFABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272760 1059053201 /nfs/dbraw/zinc/05/32/01/1059053201.db2.gz OMWZOXSENDOYOY-HKBQPEDESA-N 1 1 566.699 2.942 40 0 KFABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272763 1059052919 /nfs/dbraw/zinc/05/29/19/1059052919.db2.gz OMWZOXSENDOYOY-WJOKGBTCSA-N 1 1 566.699 2.942 40 0 KFABMO COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585272917 1059052829 /nfs/dbraw/zinc/05/28/29/1059052829.db2.gz PGNNWYZOJXJZLZ-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585272918 1059052751 /nfs/dbraw/zinc/05/27/51/1059052751.db2.gz PGNNWYZOJXJZLZ-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273008 1059058432 /nfs/dbraw/zinc/05/84/32/1059058432.db2.gz MMQFHEHRQVLQGM-GDLZYMKVSA-N 1 1 522.646 2.680 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273011 1059058792 /nfs/dbraw/zinc/05/87/92/1059058792.db2.gz MMQFHEHRQVLQGM-LJAQVGFWSA-N 1 1 522.646 2.680 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273621 1059060007 /nfs/dbraw/zinc/06/00/07/1059060007.db2.gz SRLJXPSXMCPTGP-PMERELPUSA-N 1 1 570.662 2.773 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273622 1059060505 /nfs/dbraw/zinc/06/05/05/1059060505.db2.gz SRLJXPSXMCPTGP-SSEXGKCCSA-N 1 1 570.662 2.773 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273799 1059058304 /nfs/dbraw/zinc/05/83/04/1059058304.db2.gz URFREFGQQAKJKX-PMERELPUSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273799 1059058283 /nfs/dbraw/zinc/05/82/83/1059058283.db2.gz URFREFGQQAKJKX-PMERELPUSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273801 1059059663 /nfs/dbraw/zinc/05/96/63/1059059663.db2.gz URFREFGQQAKJKX-SSEXGKCCSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273801 1059059639 /nfs/dbraw/zinc/05/96/39/1059059639.db2.gz URFREFGQQAKJKX-SSEXGKCCSA-N 1 1 552.672 2.688 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1ccnc1 ZINC000585273886 1059059348 /nfs/dbraw/zinc/05/93/48/1059059348.db2.gz FMBHUQDTQOLYOI-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1ccnc1 ZINC000585273886 1059059327 /nfs/dbraw/zinc/05/93/27/1059059327.db2.gz FMBHUQDTQOLYOI-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1ccnc1 ZINC000585273887 1059059479 /nfs/dbraw/zinc/05/94/79/1059059479.db2.gz FMBHUQDTQOLYOI-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1ccnc1 ZINC000585273887 1059059458 /nfs/dbraw/zinc/05/94/58/1059059458.db2.gz FMBHUQDTQOLYOI-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273905 1059059414 /nfs/dbraw/zinc/05/94/14/1059059414.db2.gz GBRDGUGOLBXXEH-MUUNZHRXSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273905 1059059393 /nfs/dbraw/zinc/05/93/93/1059059393.db2.gz GBRDGUGOLBXXEH-MUUNZHRXSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273908 1059059206 /nfs/dbraw/zinc/05/92/06/1059059206.db2.gz GBRDGUGOLBXXEH-NDEPHWFRSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273908 1059059181 /nfs/dbraw/zinc/05/91/81/1059059181.db2.gz GBRDGUGOLBXXEH-NDEPHWFRSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273969 1059053996 /nfs/dbraw/zinc/05/39/96/1059053996.db2.gz HLJZYQRFTHLEOS-MUUNZHRXSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273969 1059053972 /nfs/dbraw/zinc/05/39/72/1059053972.db2.gz HLJZYQRFTHLEOS-MUUNZHRXSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273972 1059053924 /nfs/dbraw/zinc/05/39/24/1059053924.db2.gz HLJZYQRFTHLEOS-NDEPHWFRSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273972 1059053904 /nfs/dbraw/zinc/05/39/04/1059053904.db2.gz HLJZYQRFTHLEOS-NDEPHWFRSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273974 1059053664 /nfs/dbraw/zinc/05/36/64/1059053664.db2.gz HOJAFMFTLNOMNM-GDLZYMKVSA-N 1 1 558.626 2.958 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273974 1059053649 /nfs/dbraw/zinc/05/36/49/1059053649.db2.gz HOJAFMFTLNOMNM-GDLZYMKVSA-N 1 1 558.626 2.958 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273981 1059053615 /nfs/dbraw/zinc/05/36/15/1059053615.db2.gz HOJAFMFTLNOMNM-LJAQVGFWSA-N 1 1 558.626 2.958 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273981 1059053596 /nfs/dbraw/zinc/05/35/96/1059053596.db2.gz HOJAFMFTLNOMNM-LJAQVGFWSA-N 1 1 558.626 2.958 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274046 1059056853 /nfs/dbraw/zinc/05/68/53/1059056853.db2.gz UVSVWEYJKHWLOP-GDLZYMKVSA-N 1 1 556.635 2.519 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274047 1059056943 /nfs/dbraw/zinc/05/69/43/1059056943.db2.gz UVSVWEYJKHWLOP-LJAQVGFWSA-N 1 1 556.635 2.519 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274098 1059057197 /nfs/dbraw/zinc/05/71/97/1059057197.db2.gz VXAOBJYQGPGYKW-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274098 1059057174 /nfs/dbraw/zinc/05/71/74/1059057174.db2.gz VXAOBJYQGPGYKW-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274099 1059057401 /nfs/dbraw/zinc/05/74/01/1059057401.db2.gz VXAOBJYQGPGYKW-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274099 1059057382 /nfs/dbraw/zinc/05/73/82/1059057382.db2.gz VXAOBJYQGPGYKW-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274217 1059056572 /nfs/dbraw/zinc/05/65/72/1059056572.db2.gz UKKAITNQXUUROC-MGBGTMOVSA-N 1 1 588.705 2.828 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274217 1059056552 /nfs/dbraw/zinc/05/65/52/1059056552.db2.gz UKKAITNQXUUROC-MGBGTMOVSA-N 1 1 588.705 2.828 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274221 1059056419 /nfs/dbraw/zinc/05/64/19/1059056419.db2.gz UKKAITNQXUUROC-XIFFEERXSA-N 1 1 588.705 2.828 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274221 1059056396 /nfs/dbraw/zinc/05/63/96/1059056396.db2.gz UKKAITNQXUUROC-XIFFEERXSA-N 1 1 588.705 2.828 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274237 1059056506 /nfs/dbraw/zinc/05/65/06/1059056506.db2.gz XVUKOHPSMGKZDF-PMERELPUSA-N 1 1 536.673 2.988 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274237 1059056486 /nfs/dbraw/zinc/05/64/86/1059056486.db2.gz XVUKOHPSMGKZDF-PMERELPUSA-N 1 1 536.673 2.988 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274239 1059056233 /nfs/dbraw/zinc/05/62/33/1059056233.db2.gz XVUKOHPSMGKZDF-SSEXGKCCSA-N 1 1 536.673 2.988 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274239 1059056213 /nfs/dbraw/zinc/05/62/13/1059056213.db2.gz XVUKOHPSMGKZDF-SSEXGKCCSA-N 1 1 536.673 2.988 40 0 KFABMO COCC(=O)N1CCN(Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274247 1059056614 /nfs/dbraw/zinc/05/66/14/1059056614.db2.gz HSVSNRCYRRQRDB-MUUNZHRXSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CCN(Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274250 1059056134 /nfs/dbraw/zinc/05/61/34/1059056134.db2.gz HSVSNRCYRRQRDB-NDEPHWFRSA-N 1 1 544.599 2.649 40 0 KFABMO COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585274441 1059057336 /nfs/dbraw/zinc/05/73/36/1059057336.db2.gz WRLQXGXDCBHGGX-NFFAYCCRSA-N 1 1 503.684 2.815 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cccn1 ZINC000585274509 1059055602 /nfs/dbraw/zinc/05/56/02/1059055602.db2.gz ZIGANNVLQQOKMM-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cccn1 ZINC000585274509 1059055583 /nfs/dbraw/zinc/05/55/83/1059055583.db2.gz ZIGANNVLQQOKMM-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cccn1 ZINC000585274510 1059055864 /nfs/dbraw/zinc/05/58/64/1059055864.db2.gz ZIGANNVLQQOKMM-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cccn1 ZINC000585274510 1059055843 /nfs/dbraw/zinc/05/58/43/1059055843.db2.gz ZIGANNVLQQOKMM-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274587 1059055332 /nfs/dbraw/zinc/05/53/32/1059055332.db2.gz LHOKAYVKNPZCPB-PMERELPUSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274587 1059055309 /nfs/dbraw/zinc/05/53/09/1059055309.db2.gz LHOKAYVKNPZCPB-PMERELPUSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274588 1059055540 /nfs/dbraw/zinc/05/55/40/1059055540.db2.gz LHOKAYVKNPZCPB-SSEXGKCCSA-N 1 1 552.672 2.688 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274588 1059055516 /nfs/dbraw/zinc/05/55/16/1059055516.db2.gz LHOKAYVKNPZCPB-SSEXGKCCSA-N 1 1 552.672 2.688 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274672 1059054368 /nfs/dbraw/zinc/05/43/68/1059054368.db2.gz LXRGFIIGZIWPBU-PMERELPUSA-N 1 1 588.652 2.912 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274673 1059054490 /nfs/dbraw/zinc/05/44/90/1059054490.db2.gz LXRGFIIGZIWPBU-SSEXGKCCSA-N 1 1 588.652 2.912 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274748 1059055394 /nfs/dbraw/zinc/05/53/94/1059055394.db2.gz ZAXVGBVADUXILQ-JGCGQSQUSA-N 1 1 592.668 2.659 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274748 1059055373 /nfs/dbraw/zinc/05/53/73/1059055373.db2.gz ZAXVGBVADUXILQ-JGCGQSQUSA-N 1 1 592.668 2.659 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274753 1059055732 /nfs/dbraw/zinc/05/57/32/1059055732.db2.gz ZAXVGBVADUXILQ-YTTGMZPUSA-N 1 1 592.668 2.659 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274753 1059055714 /nfs/dbraw/zinc/05/57/14/1059055714.db2.gz ZAXVGBVADUXILQ-YTTGMZPUSA-N 1 1 592.668 2.659 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1ccnc1 ZINC000585274766 1059055470 /nfs/dbraw/zinc/05/54/70/1059055470.db2.gz NJNPMXKYLXWHED-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1ccnc1 ZINC000585274766 1059055450 /nfs/dbraw/zinc/05/54/50/1059055450.db2.gz NJNPMXKYLXWHED-MUUNZHRXSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1ccnc1 ZINC000585274767 1059055799 /nfs/dbraw/zinc/05/57/99/1059055799.db2.gz NJNPMXKYLXWHED-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1ccnc1 ZINC000585274767 1059055776 /nfs/dbraw/zinc/05/57/76/1059055776.db2.gz NJNPMXKYLXWHED-NDEPHWFRSA-N 1 1 508.619 2.753 40 0 KFABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274828 1059054649 /nfs/dbraw/zinc/05/46/49/1059054649.db2.gz OXMGMAXUXAFGGY-SSEXGKCCSA-N 1 1 588.652 2.912 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274881 1059054822 /nfs/dbraw/zinc/05/48/22/1059054822.db2.gz QJOBOABCEMPJTP-GDLZYMKVSA-N 1 1 574.625 2.658 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274882 1059055004 /nfs/dbraw/zinc/05/50/04/1059055004.db2.gz QJOBOABCEMPJTP-LJAQVGFWSA-N 1 1 574.625 2.658 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274916 1059054738 /nfs/dbraw/zinc/05/47/38/1059054738.db2.gz RMMJCRTXJYYJFX-GDLZYMKVSA-N 1 1 574.625 2.658 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274917 1059056267 /nfs/dbraw/zinc/05/62/67/1059056267.db2.gz RMMJCRTXJYYJFX-LJAQVGFWSA-N 1 1 574.625 2.658 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274926 1059056090 /nfs/dbraw/zinc/05/60/90/1059056090.db2.gz RSCFTVUFDZQXJQ-MUUNZHRXSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274926 1059056067 /nfs/dbraw/zinc/05/60/67/1059056067.db2.gz RSCFTVUFDZQXJQ-MUUNZHRXSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274927 1059056358 /nfs/dbraw/zinc/05/63/58/1059056358.db2.gz RSCFTVUFDZQXJQ-NDEPHWFRSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274927 1059056338 /nfs/dbraw/zinc/05/63/38/1059056338.db2.gz RSCFTVUFDZQXJQ-NDEPHWFRSA-N 1 1 544.599 2.731 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585275009 1059057960 /nfs/dbraw/zinc/05/79/60/1059057960.db2.gz TVZOKSGLZGAJRD-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585275009 1059057943 /nfs/dbraw/zinc/05/79/43/1059057943.db2.gz TVZOKSGLZGAJRD-GDLZYMKVSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585275010 1059058058 /nfs/dbraw/zinc/05/80/58/1059058058.db2.gz TVZOKSGLZGAJRD-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585275010 1059058052 /nfs/dbraw/zinc/05/80/52/1059058052.db2.gz TVZOKSGLZGAJRD-LJAQVGFWSA-N 1 1 522.646 2.761 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585275011 1059057695 /nfs/dbraw/zinc/05/76/95/1059057695.db2.gz TWBBSCVFTLHAJF-PMERELPUSA-N 1 1 588.652 2.912 40 0 KFABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585275012 1059057989 /nfs/dbraw/zinc/05/79/89/1059057989.db2.gz TWBBSCVFTLHAJF-SSEXGKCCSA-N 1 1 588.652 2.912 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275043 1059057812 /nfs/dbraw/zinc/05/78/12/1059057812.db2.gz UTXIAEQYRWRMCZ-MUUNZHRXSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275043 1059057790 /nfs/dbraw/zinc/05/77/90/1059057790.db2.gz UTXIAEQYRWRMCZ-MUUNZHRXSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275044 1059057892 /nfs/dbraw/zinc/05/78/92/1059057892.db2.gz UTXIAEQYRWRMCZ-NDEPHWFRSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275044 1059057873 /nfs/dbraw/zinc/05/78/73/1059057873.db2.gz UTXIAEQYRWRMCZ-NDEPHWFRSA-N 1 1 544.599 2.649 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275165 1059061751 /nfs/dbraw/zinc/06/17/51/1059061751.db2.gz YQNZASZXDHQHEO-GDLZYMKVSA-N 1 1 574.625 2.658 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275166 1059061664 /nfs/dbraw/zinc/06/16/64/1059061664.db2.gz YQNZASZXDHQHEO-LJAQVGFWSA-N 1 1 574.625 2.658 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585278747 1059060110 /nfs/dbraw/zinc/06/01/10/1059060110.db2.gz AAKARTDHUGOMRD-PMERELPUSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585278747 1059060090 /nfs/dbraw/zinc/06/00/90/1059060090.db2.gz AAKARTDHUGOMRD-PMERELPUSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585278748 1059060609 /nfs/dbraw/zinc/06/06/09/1059060609.db2.gz AAKARTDHUGOMRD-SSEXGKCCSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585278748 1059060589 /nfs/dbraw/zinc/06/05/89/1059060589.db2.gz AAKARTDHUGOMRD-SSEXGKCCSA-N 1 1 552.672 2.770 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@H+]3CCOC[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O ZINC000585279089 1059066469 /nfs/dbraw/zinc/06/64/69/1059066469.db2.gz CKZQORMJYIMGJF-HHHXNRCGSA-N 1 1 515.582 2.567 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@@H+]3CCOC[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O ZINC000585279089 1059066452 /nfs/dbraw/zinc/06/64/52/1059066452.db2.gz CKZQORMJYIMGJF-HHHXNRCGSA-N 1 1 515.582 2.567 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@H+]3CCOC[C@](O)(COc4ccc(F)cc4)C3)cc2)C1=O ZINC000585279094 1059067493 /nfs/dbraw/zinc/06/74/93/1059067493.db2.gz CKZQORMJYIMGJF-MHZLTWQESA-N 1 1 515.582 2.567 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@@H+]3CCOC[C@](O)(COc4ccc(F)cc4)C3)cc2)C1=O ZINC000585279094 1059067472 /nfs/dbraw/zinc/06/74/72/1059067472.db2.gz CKZQORMJYIMGJF-MHZLTWQESA-N 1 1 515.582 2.567 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585279499 1059066683 /nfs/dbraw/zinc/06/66/83/1059066683.db2.gz CYRILQOGFMDCEM-MUUNZHRXSA-N 1 1 526.609 2.892 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585279499 1059066660 /nfs/dbraw/zinc/06/66/60/1059066660.db2.gz CYRILQOGFMDCEM-MUUNZHRXSA-N 1 1 526.609 2.892 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585279506 1059066817 /nfs/dbraw/zinc/06/68/17/1059066817.db2.gz CYRILQOGFMDCEM-NDEPHWFRSA-N 1 1 526.609 2.892 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585279506 1059066798 /nfs/dbraw/zinc/06/67/98/1059066798.db2.gz CYRILQOGFMDCEM-NDEPHWFRSA-N 1 1 526.609 2.892 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585279644 1059065781 /nfs/dbraw/zinc/06/57/81/1059065781.db2.gz FDUXSRFVYGHSMD-HHHXNRCGSA-N 1 1 565.017 2.994 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585279644 1059065761 /nfs/dbraw/zinc/06/57/61/1059065761.db2.gz FDUXSRFVYGHSMD-HHHXNRCGSA-N 1 1 565.017 2.994 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585279648 1059065677 /nfs/dbraw/zinc/06/56/77/1059065677.db2.gz FDUXSRFVYGHSMD-MHZLTWQESA-N 1 1 565.017 2.994 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585279648 1059065658 /nfs/dbraw/zinc/06/56/58/1059065658.db2.gz FDUXSRFVYGHSMD-MHZLTWQESA-N 1 1 565.017 2.994 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@H+]3CCOC[C@@](O)(COc4cccc(F)c4)C3)cc2)C1=O ZINC000585279696 1059065557 /nfs/dbraw/zinc/06/55/57/1059065557.db2.gz FXJDAXJCGZZNET-HHHXNRCGSA-N 1 1 515.582 2.567 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@@H+]3CCOC[C@@](O)(COc4cccc(F)c4)C3)cc2)C1=O ZINC000585279696 1059065536 /nfs/dbraw/zinc/06/55/36/1059065536.db2.gz FXJDAXJCGZZNET-HHHXNRCGSA-N 1 1 515.582 2.567 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@H+]3CCOC[C@](O)(COc4cccc(F)c4)C3)cc2)C1=O ZINC000585279698 1059066062 /nfs/dbraw/zinc/06/60/62/1059066062.db2.gz FXJDAXJCGZZNET-MHZLTWQESA-N 1 1 515.582 2.567 40 0 KFABMO CC1(C)NC(=O)N(CCCOc2ccc(C[N@@H+]3CCOC[C@](O)(COc4cccc(F)c4)C3)cc2)C1=O ZINC000585279698 1059066039 /nfs/dbraw/zinc/06/60/39/1059066039.db2.gz FXJDAXJCGZZNET-MHZLTWQESA-N 1 1 515.582 2.567 40 0 KFABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279717 1059066612 /nfs/dbraw/zinc/06/66/12/1059066612.db2.gz GEACXANZBASLTB-PMERELPUSA-N 1 1 552.672 2.569 40 0 KFABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279717 1059066588 /nfs/dbraw/zinc/06/65/88/1059066588.db2.gz GEACXANZBASLTB-PMERELPUSA-N 1 1 552.672 2.569 40 0 KFABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279722 1059066540 /nfs/dbraw/zinc/06/65/40/1059066540.db2.gz GEACXANZBASLTB-SSEXGKCCSA-N 1 1 552.672 2.569 40 0 KFABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279722 1059066515 /nfs/dbraw/zinc/06/65/15/1059066515.db2.gz GEACXANZBASLTB-SSEXGKCCSA-N 1 1 552.672 2.569 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279733 1059066874 /nfs/dbraw/zinc/06/68/74/1059066874.db2.gz GFPQZIUFUSIZNL-HKBQPEDESA-N 1 1 553.700 2.877 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279733 1059066852 /nfs/dbraw/zinc/06/68/52/1059066852.db2.gz GFPQZIUFUSIZNL-HKBQPEDESA-N 1 1 553.700 2.877 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279734 1059066941 /nfs/dbraw/zinc/06/69/41/1059066941.db2.gz GFPQZIUFUSIZNL-WJOKGBTCSA-N 1 1 553.700 2.877 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279734 1059066920 /nfs/dbraw/zinc/06/69/20/1059066920.db2.gz GFPQZIUFUSIZNL-WJOKGBTCSA-N 1 1 553.700 2.877 40 0 KFABMO CC1(C)NC(=O)N(CCOc2ccc(C[N@H+]3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O ZINC000585279735 1059065969 /nfs/dbraw/zinc/06/59/69/1059065969.db2.gz GFXXSCOXSFDPMZ-AREMUKBSSA-N 1 1 518.010 2.692 40 0 KFABMO CC1(C)NC(=O)N(CCOc2ccc(C[N@H+]3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O ZINC000585279740 1059065898 /nfs/dbraw/zinc/06/58/98/1059065898.db2.gz GFXXSCOXSFDPMZ-SANMLTNESA-N 1 1 518.010 2.692 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)cc1OCCCn1cccn1 ZINC000585279919 1059065850 /nfs/dbraw/zinc/06/58/50/1059065850.db2.gz HMWPSCUYYPJSRA-MUUNZHRXSA-N 1 1 508.619 2.835 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)cc1OCCCn1cccn1 ZINC000585279919 1059065827 /nfs/dbraw/zinc/06/58/27/1059065827.db2.gz HMWPSCUYYPJSRA-MUUNZHRXSA-N 1 1 508.619 2.835 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)cc1OCCCn1cccn1 ZINC000585279920 1059065734 /nfs/dbraw/zinc/06/57/34/1059065734.db2.gz HMWPSCUYYPJSRA-NDEPHWFRSA-N 1 1 508.619 2.835 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)cc1OCCCn1cccn1 ZINC000585279920 1059065715 /nfs/dbraw/zinc/06/57/15/1059065715.db2.gz HMWPSCUYYPJSRA-NDEPHWFRSA-N 1 1 508.619 2.835 40 0 KFABMO COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc[nH+]c1C ZINC000585280093 1059064325 /nfs/dbraw/zinc/06/43/25/1059064325.db2.gz JMWQRBKDDPKWHK-MUUNZHRXSA-N 1 1 526.609 2.892 40 0 KFABMO COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc[nH+]c1C ZINC000585280095 1059063977 /nfs/dbraw/zinc/06/39/77/1059063977.db2.gz JMWQRBKDDPKWHK-NDEPHWFRSA-N 1 1 526.609 2.892 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cccn1 ZINC000585280294 1059064162 /nfs/dbraw/zinc/06/41/62/1059064162.db2.gz MGKQBTZXBMQOHM-MUUNZHRXSA-N 1 1 526.609 2.974 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cccn1 ZINC000585280294 1059064140 /nfs/dbraw/zinc/06/41/40/1059064140.db2.gz MGKQBTZXBMQOHM-MUUNZHRXSA-N 1 1 526.609 2.974 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cccn1 ZINC000585280295 1059064225 /nfs/dbraw/zinc/06/42/25/1059064225.db2.gz MGKQBTZXBMQOHM-NDEPHWFRSA-N 1 1 526.609 2.974 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cccn1 ZINC000585280295 1059064205 /nfs/dbraw/zinc/06/42/05/1059064205.db2.gz MGKQBTZXBMQOHM-NDEPHWFRSA-N 1 1 526.609 2.974 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280453 1059063102 /nfs/dbraw/zinc/06/31/02/1059063102.db2.gz NWMXDNJXSASLPZ-MUUNZHRXSA-N 1 1 526.609 2.974 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280453 1059063092 /nfs/dbraw/zinc/06/30/92/1059063092.db2.gz NWMXDNJXSASLPZ-MUUNZHRXSA-N 1 1 526.609 2.974 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280454 1059064408 /nfs/dbraw/zinc/06/44/08/1059064408.db2.gz NWMXDNJXSASLPZ-NDEPHWFRSA-N 1 1 526.609 2.974 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280454 1059064395 /nfs/dbraw/zinc/06/43/95/1059064395.db2.gz NWMXDNJXSASLPZ-NDEPHWFRSA-N 1 1 526.609 2.974 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585280480 1059063259 /nfs/dbraw/zinc/06/32/59/1059063259.db2.gz OFBXHRIXSQUCHW-MUUNZHRXSA-N 1 1 526.609 2.892 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585280480 1059063238 /nfs/dbraw/zinc/06/32/38/1059063238.db2.gz OFBXHRIXSQUCHW-MUUNZHRXSA-N 1 1 526.609 2.892 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585280481 1059063578 /nfs/dbraw/zinc/06/35/78/1059063578.db2.gz OFBXHRIXSQUCHW-NDEPHWFRSA-N 1 1 526.609 2.892 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585280481 1059063555 /nfs/dbraw/zinc/06/35/55/1059063555.db2.gz OFBXHRIXSQUCHW-NDEPHWFRSA-N 1 1 526.609 2.892 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280496 1059063642 /nfs/dbraw/zinc/06/36/42/1059063642.db2.gz OPCPLIIDCOMYBS-HKBQPEDESA-N 1 1 549.668 2.727 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280496 1059063621 /nfs/dbraw/zinc/06/36/21/1059063621.db2.gz OPCPLIIDCOMYBS-HKBQPEDESA-N 1 1 549.668 2.727 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585280497 1059063517 /nfs/dbraw/zinc/06/35/17/1059063517.db2.gz OPCPLIIDCOMYBS-WJOKGBTCSA-N 1 1 549.668 2.727 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585280497 1059063499 /nfs/dbraw/zinc/06/34/99/1059063499.db2.gz OPCPLIIDCOMYBS-WJOKGBTCSA-N 1 1 549.668 2.727 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585280536 1059063459 /nfs/dbraw/zinc/06/34/59/1059063459.db2.gz PFNYDSFDEDVFDR-HHHXNRCGSA-N 1 1 529.037 2.716 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585280536 1059063436 /nfs/dbraw/zinc/06/34/36/1059063436.db2.gz PFNYDSFDEDVFDR-HHHXNRCGSA-N 1 1 529.037 2.716 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280541 1059063170 /nfs/dbraw/zinc/06/31/70/1059063170.db2.gz PFNYDSFDEDVFDR-MHZLTWQESA-N 1 1 529.037 2.716 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280541 1059063149 /nfs/dbraw/zinc/06/31/49/1059063149.db2.gz PFNYDSFDEDVFDR-MHZLTWQESA-N 1 1 529.037 2.716 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280556 1059063329 /nfs/dbraw/zinc/06/33/29/1059063329.db2.gz POMKAEJNBJDPCW-PMERELPUSA-N 1 1 539.673 2.569 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280556 1059063307 /nfs/dbraw/zinc/06/33/07/1059063307.db2.gz POMKAEJNBJDPCW-PMERELPUSA-N 1 1 539.673 2.569 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585280558 1059063393 /nfs/dbraw/zinc/06/33/93/1059063393.db2.gz POMKAEJNBJDPCW-SSEXGKCCSA-N 1 1 539.673 2.569 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585280558 1059063372 /nfs/dbraw/zinc/06/33/72/1059063372.db2.gz POMKAEJNBJDPCW-SSEXGKCCSA-N 1 1 539.673 2.569 40 0 KFABMO CN1CC(=O)N(CCCOc2ccc(C[N@H+]3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O ZINC000585280646 1059062569 /nfs/dbraw/zinc/06/25/69/1059062569.db2.gz QQXFPUUHTIJTAW-AREMUKBSSA-N 1 1 518.010 2.645 40 0 KFABMO CN1CC(=O)N(CCCOc2ccc(C[N@H+]3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O ZINC000585280647 1059062706 /nfs/dbraw/zinc/06/27/06/1059062706.db2.gz QQXFPUUHTIJTAW-SANMLTNESA-N 1 1 518.010 2.645 40 0 KFABMO COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280649 1059062347 /nfs/dbraw/zinc/06/23/47/1059062347.db2.gz QRDQUDAHPMQVTG-MUUNZHRXSA-N 1 1 526.609 2.892 40 0 KFABMO COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280651 1059062774 /nfs/dbraw/zinc/06/27/74/1059062774.db2.gz QRDQUDAHPMQVTG-NDEPHWFRSA-N 1 1 526.609 2.892 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280696 1059062873 /nfs/dbraw/zinc/06/28/73/1059062873.db2.gz RJSZOMLEJICDPX-PMERELPUSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280696 1059062852 /nfs/dbraw/zinc/06/28/52/1059062852.db2.gz RJSZOMLEJICDPX-PMERELPUSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280697 1059062526 /nfs/dbraw/zinc/06/25/26/1059062526.db2.gz RJSZOMLEJICDPX-SSEXGKCCSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280697 1059062505 /nfs/dbraw/zinc/06/25/05/1059062505.db2.gz RJSZOMLEJICDPX-SSEXGKCCSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280794 1059061908 /nfs/dbraw/zinc/06/19/08/1059061908.db2.gz SMXCABWLLMPLQY-PMERELPUSA-N 1 1 552.672 2.770 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585280795 1059061524 /nfs/dbraw/zinc/06/15/24/1059061524.db2.gz SMXCABWLLMPLQY-SSEXGKCCSA-N 1 1 552.672 2.770 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cccn1 ZINC000585280828 1059061862 /nfs/dbraw/zinc/06/18/62/1059061862.db2.gz TVJANRIZQLVRDL-HHHXNRCGSA-N 1 1 512.582 2.584 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cccn1 ZINC000585280828 1059061840 /nfs/dbraw/zinc/06/18/40/1059061840.db2.gz TVJANRIZQLVRDL-HHHXNRCGSA-N 1 1 512.582 2.584 40 0 KFABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cccn1 ZINC000585280829 1059062459 /nfs/dbraw/zinc/06/24/59/1059062459.db2.gz TVJANRIZQLVRDL-MHZLTWQESA-N 1 1 512.582 2.584 40 0 KFABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cccn1 ZINC000585280829 1059062435 /nfs/dbraw/zinc/06/24/35/1059062435.db2.gz TVJANRIZQLVRDL-MHZLTWQESA-N 1 1 512.582 2.584 40 0 KFABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cnnc1 ZINC000585281063 1059068182 /nfs/dbraw/zinc/06/81/82/1059068182.db2.gz DSBAVUKOJQJMEX-DQEYMECFSA-N 1 1 502.999 2.704 40 0 KFABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cnnc1 ZINC000585281063 1059068159 /nfs/dbraw/zinc/06/81/59/1059068159.db2.gz DSBAVUKOJQJMEX-DQEYMECFSA-N 1 1 502.999 2.704 40 0 KFABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585281092 1059067987 /nfs/dbraw/zinc/06/79/87/1059067987.db2.gz WAUMUUUCPSTVAQ-GDLZYMKVSA-N 1 1 509.647 2.942 40 0 KFABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585281092 1059067966 /nfs/dbraw/zinc/06/79/66/1059067966.db2.gz WAUMUUUCPSTVAQ-GDLZYMKVSA-N 1 1 509.647 2.942 40 0 KFABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281094 1059068495 /nfs/dbraw/zinc/06/84/95/1059068495.db2.gz WAUMUUUCPSTVAQ-LJAQVGFWSA-N 1 1 509.647 2.942 40 0 KFABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281094 1059068473 /nfs/dbraw/zinc/06/84/73/1059068473.db2.gz WAUMUUUCPSTVAQ-LJAQVGFWSA-N 1 1 509.647 2.942 40 0 KFABMO Cc1cc(OC[C@@]2(O)C[N@@H+](Cc3ccc(OCCCN4CC(=O)NC4=O)cc3)CC[C@@H]2O)cc(C)c1Cl ZINC000585281302 1059067728 /nfs/dbraw/zinc/06/77/28/1059067728.db2.gz HWUYUOSNHOIEGN-HOFKKMOUSA-N 1 1 532.037 2.654 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCn1cccn1 ZINC000585281309 1059067411 /nfs/dbraw/zinc/06/74/11/1059067411.db2.gz YTOXEKFEGAUGRA-MUUNZHRXSA-N 1 1 508.619 2.835 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCn1cccn1 ZINC000585281309 1059067392 /nfs/dbraw/zinc/06/73/92/1059067392.db2.gz YTOXEKFEGAUGRA-MUUNZHRXSA-N 1 1 508.619 2.835 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCn1cccn1 ZINC000585281311 1059067682 /nfs/dbraw/zinc/06/76/82/1059067682.db2.gz YTOXEKFEGAUGRA-NDEPHWFRSA-N 1 1 508.619 2.835 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCn1cccn1 ZINC000585281311 1059067659 /nfs/dbraw/zinc/06/76/59/1059067659.db2.gz YTOXEKFEGAUGRA-NDEPHWFRSA-N 1 1 508.619 2.835 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281403 1059065021 /nfs/dbraw/zinc/06/50/21/1059065021.db2.gz ZRZGBVGFBZVPBZ-GDLZYMKVSA-N 1 1 522.646 2.680 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281403 1059065000 /nfs/dbraw/zinc/06/50/00/1059065000.db2.gz ZRZGBVGFBZVPBZ-GDLZYMKVSA-N 1 1 522.646 2.680 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281405 1059064891 /nfs/dbraw/zinc/06/48/91/1059064891.db2.gz ZRZGBVGFBZVPBZ-LJAQVGFWSA-N 1 1 522.646 2.680 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281405 1059064868 /nfs/dbraw/zinc/06/48/68/1059064868.db2.gz ZRZGBVGFBZVPBZ-LJAQVGFWSA-N 1 1 522.646 2.680 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281435 1059065078 /nfs/dbraw/zinc/06/50/78/1059065078.db2.gz ZVVSSHLESSCFAQ-PMERELPUSA-N 1 1 575.653 2.847 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281435 1059065060 /nfs/dbraw/zinc/06/50/60/1059065060.db2.gz ZVVSSHLESSCFAQ-PMERELPUSA-N 1 1 575.653 2.847 40 0 KFABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281441 1059064957 /nfs/dbraw/zinc/06/49/57/1059064957.db2.gz ZVVSSHLESSCFAQ-SSEXGKCCSA-N 1 1 575.653 2.847 40 0 KFABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281441 1059064934 /nfs/dbraw/zinc/06/49/34/1059064934.db2.gz ZVVSSHLESSCFAQ-SSEXGKCCSA-N 1 1 575.653 2.847 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCC1=O ZINC000585281482 1059065221 /nfs/dbraw/zinc/06/52/21/1059065221.db2.gz JSJLLMWUJYIDLB-GDLZYMKVSA-N 1 1 525.646 2.561 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCC1=O ZINC000585281482 1059065204 /nfs/dbraw/zinc/06/52/04/1059065204.db2.gz JSJLLMWUJYIDLB-GDLZYMKVSA-N 1 1 525.646 2.561 40 0 KFABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCC1=O ZINC000585281483 1059065332 /nfs/dbraw/zinc/06/53/32/1059065332.db2.gz JSJLLMWUJYIDLB-LJAQVGFWSA-N 1 1 525.646 2.561 40 0 KFABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCC1=O ZINC000585281483 1059065314 /nfs/dbraw/zinc/06/53/14/1059065314.db2.gz JSJLLMWUJYIDLB-LJAQVGFWSA-N 1 1 525.646 2.561 40 0 KFABMO CC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585281807 1059064453 /nfs/dbraw/zinc/06/44/53/1059064453.db2.gz BAPRDZULBCLFRR-HHHXNRCGSA-N 1 1 503.590 2.579 40 0 KFABMO CC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585281808 1059065258 /nfs/dbraw/zinc/06/52/58/1059065258.db2.gz BAPRDZULBCLFRR-MHZLTWQESA-N 1 1 503.590 2.579 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585281878 1059064712 /nfs/dbraw/zinc/06/47/12/1059064712.db2.gz RUEGYEIAICRRJE-GDLZYMKVSA-N 1 1 556.635 2.519 40 0 KFABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585281879 1059065121 /nfs/dbraw/zinc/06/51/21/1059065121.db2.gz RUEGYEIAICRRJE-LJAQVGFWSA-N 1 1 556.635 2.519 40 0 KFABMO COc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)ccc1OCCCN1CCCC1=O ZINC000585281930 1059064098 /nfs/dbraw/zinc/06/40/98/1059064098.db2.gz UPAMREIKIAUFSD-HHHXNRCGSA-N 1 1 502.583 2.868 40 0 KFABMO COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)ccc1OCCCN1CCCC1=O ZINC000585281930 1059064075 /nfs/dbraw/zinc/06/40/75/1059064075.db2.gz UPAMREIKIAUFSD-HHHXNRCGSA-N 1 1 502.583 2.868 40 0 KFABMO COc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)ccc1OCCCN1CCCC1=O ZINC000585281931 1059064285 /nfs/dbraw/zinc/06/42/85/1059064285.db2.gz UPAMREIKIAUFSD-MHZLTWQESA-N 1 1 502.583 2.868 40 0 KFABMO COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)ccc1OCCCN1CCCC1=O ZINC000585281931 1059064267 /nfs/dbraw/zinc/06/42/67/1059064267.db2.gz UPAMREIKIAUFSD-MHZLTWQESA-N 1 1 502.583 2.868 40 0 KFABMO COCC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccccc3C)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281999 1059068536 /nfs/dbraw/zinc/06/85/36/1059068536.db2.gz FBXBPDCHDRVLSP-PMERELPUSA-N 1 1 525.690 2.544 40 0 KFABMO COCC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccccc3C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282000 1059068230 /nfs/dbraw/zinc/06/82/30/1059068230.db2.gz FBXBPDCHDRVLSP-SSEXGKCCSA-N 1 1 525.690 2.544 40 0 KFABMO CC(=O)N1CC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282012 1059068295 /nfs/dbraw/zinc/06/82/95/1059068295.db2.gz FNTBMDJXPFCSHR-HHHXNRCGSA-N 1 1 503.590 2.579 40 0 KFABMO CC(=O)N1CC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282013 1059068098 /nfs/dbraw/zinc/06/80/98/1059068098.db2.gz FNTBMDJXPFCSHR-MHZLTWQESA-N 1 1 503.590 2.579 40 0 KFABMO COc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCC1=O ZINC000585282145 1059068912 /nfs/dbraw/zinc/06/89/12/1059068912.db2.gz YIGCTOFODTXSTG-HHHXNRCGSA-N 1 1 502.583 2.868 40 0 KFABMO COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCC1=O ZINC000585282145 1059068893 /nfs/dbraw/zinc/06/88/93/1059068893.db2.gz YIGCTOFODTXSTG-HHHXNRCGSA-N 1 1 502.583 2.868 40 0 KFABMO COc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCC1=O ZINC000585282147 1059068856 /nfs/dbraw/zinc/06/88/56/1059068856.db2.gz YIGCTOFODTXSTG-MHZLTWQESA-N 1 1 502.583 2.868 40 0 KFABMO COc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCC1=O ZINC000585282147 1059068835 /nfs/dbraw/zinc/06/88/35/1059068835.db2.gz YIGCTOFODTXSTG-MHZLTWQESA-N 1 1 502.583 2.868 40 0 KFABMO Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585282695 1059068367 /nfs/dbraw/zinc/06/83/67/1059068367.db2.gz ABXIUQUGKVDBDL-MUUNZHRXSA-N 1 1 546.112 2.772 40 0 KFABMO Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585282701 1059068998 /nfs/dbraw/zinc/06/89/98/1059068998.db2.gz ABXIUQUGKVDBDL-NDEPHWFRSA-N 1 1 546.112 2.772 40 0 KFABMO COc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585282702 1059068958 /nfs/dbraw/zinc/06/89/58/1059068958.db2.gz ADHOXANXNDRETD-MUUNZHRXSA-N 1 1 546.064 2.877 40 0 KFABMO COc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585282706 1059069088 /nfs/dbraw/zinc/06/90/88/1059069088.db2.gz ADHOXANXNDRETD-NDEPHWFRSA-N 1 1 546.064 2.877 40 0 KFABMO CC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585283062 1059070039 /nfs/dbraw/zinc/07/00/39/1059070039.db2.gz PFVHNAIMXJQRLL-HHHXNRCGSA-N 1 1 503.590 2.579 40 0 KFABMO CC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585283063 1059070189 /nfs/dbraw/zinc/07/01/89/1059070189.db2.gz PFVHNAIMXJQRLL-MHZLTWQESA-N 1 1 503.590 2.579 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCn3nnc4ccccc43)CCO2)ccc1Cl ZINC000585283289 1059069758 /nfs/dbraw/zinc/06/97/58/1059069758.db2.gz CZUCWUHNKBFKEU-MUUNZHRXSA-N 1 1 555.079 2.624 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCn3nnc4ccccc43)CCO2)ccc1Cl ZINC000585283296 1059069609 /nfs/dbraw/zinc/06/96/09/1059069609.db2.gz CZUCWUHNKBFKEU-NDEPHWFRSA-N 1 1 555.079 2.624 40 0 KFABMO Cc1noc(C)c1CC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585283322 1059069495 /nfs/dbraw/zinc/06/94/95/1059069495.db2.gz DKPWWVJUMMFTPH-AREMUKBSSA-N 1 1 519.042 2.636 40 0 KFABMO Cc1noc(C)c1CC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585283330 1059069993 /nfs/dbraw/zinc/06/99/93/1059069993.db2.gz DKPWWVJUMMFTPH-SANMLTNESA-N 1 1 519.042 2.636 40 0 KFABMO COCC(=O)N1CC[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283734 1059069128 /nfs/dbraw/zinc/06/91/28/1059069128.db2.gz UEYPRBJRCAVQNZ-PMERELPUSA-N 1 1 525.690 2.544 40 0 KFABMO COCC(=O)N1CC[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283735 1059069644 /nfs/dbraw/zinc/06/96/44/1059069644.db2.gz UEYPRBJRCAVQNZ-SSEXGKCCSA-N 1 1 525.690 2.544 40 0 KFABMO COCC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284347 1059067590 /nfs/dbraw/zinc/06/75/90/1059067590.db2.gz XBIDCAUENNQJJL-PMERELPUSA-N 1 1 525.690 2.544 40 0 KFABMO COCC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284349 1059067529 /nfs/dbraw/zinc/06/75/29/1059067529.db2.gz XBIDCAUENNQJJL-SSEXGKCCSA-N 1 1 525.690 2.544 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)COc3cccc(N(C)C)c3)CCO2)ccc1Cl ZINC000585284835 1059070655 /nfs/dbraw/zinc/07/06/55/1059070655.db2.gz JSOVXYIDCGHTAM-GDLZYMKVSA-N 1 1 559.107 2.934 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)COc3cccc(N(C)C)c3)CCO2)ccc1Cl ZINC000585284841 1059070583 /nfs/dbraw/zinc/07/05/83/1059070583.db2.gz JSOVXYIDCGHTAM-LJAQVGFWSA-N 1 1 559.107 2.934 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CN(C(=O)CN3CC[NH+](C)CC3)CCO2)ccc1Cl ZINC000585285592 1059072897 /nfs/dbraw/zinc/07/28/97/1059072897.db2.gz LUVSUDKFMOKAGZ-GDLZYMKVSA-N 1 1 543.108 2.921 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CN(C(=O)CN3CC[NH+](C)CC3)CCO2)ccc1Cl ZINC000585285605 1059072826 /nfs/dbraw/zinc/07/28/26/1059072826.db2.gz LUVSUDKFMOKAGZ-LJAQVGFWSA-N 1 1 543.108 2.921 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CC[C@@H]3CCCO3)CCO2)ccc1Cl ZINC000585285630 1059072738 /nfs/dbraw/zinc/07/27/38/1059072738.db2.gz LWACPBCSCOORBW-HFZDXXHNSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CC[C@@H]3CCCO3)CCO2)ccc1Cl ZINC000585285642 1059072955 /nfs/dbraw/zinc/07/29/55/1059072955.db2.gz LWACPBCSCOORBW-LVXARBLLSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CC[C@H]3CCCO3)CCO2)ccc1Cl ZINC000585285643 1059072787 /nfs/dbraw/zinc/07/27/87/1059072787.db2.gz LWACPBCSCOORBW-QFQXNSOFSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CC[C@H]3CCCO3)CCO2)ccc1Cl ZINC000585285644 1059073046 /nfs/dbraw/zinc/07/30/46/1059073046.db2.gz LWACPBCSCOORBW-RLWLMLJZSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCc3nc(C(C)C)no3)CCO2)ccc1Cl ZINC000585285694 1059073268 /nfs/dbraw/zinc/07/32/68/1059073268.db2.gz MDNPLWQGBJHGQN-HHHXNRCGSA-N 1 1 548.084 2.928 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCc3nc(C(C)C)no3)CCO2)ccc1Cl ZINC000585285705 1059073473 /nfs/dbraw/zinc/07/34/73/1059073473.db2.gz MDNPLWQGBJHGQN-MHZLTWQESA-N 1 1 548.084 2.928 40 0 KFABMO Cc1nc(CC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000585286616 1059074108 /nfs/dbraw/zinc/07/41/08/1059074108.db2.gz PLUCCZGWYJVWSA-RUZDIDTESA-N 1 1 521.083 2.797 40 0 KFABMO Cc1nc(CC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000585286617 1059073897 /nfs/dbraw/zinc/07/38/97/1059073897.db2.gz PLUCCZGWYJVWSA-VWLOTQADSA-N 1 1 521.083 2.797 40 0 KFABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)ccc1OCCn1cccn1 ZINC000585286658 1059074419 /nfs/dbraw/zinc/07/44/19/1059074419.db2.gz HJGISWDGWVOSCI-ZCYQVOJMSA-N 1 1 507.509 2.765 40 0 KFABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)ccc1OCCn1cccn1 ZINC000585286658 1059074399 /nfs/dbraw/zinc/07/43/99/1059074399.db2.gz HJGISWDGWVOSCI-ZCYQVOJMSA-N 1 1 507.509 2.765 40 0 KFABMO COCC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585286770 1059073596 /nfs/dbraw/zinc/07/35/96/1059073596.db2.gz IPDLWJNOLCKXQP-KEKPKEOLSA-N 1 1 500.611 2.815 40 0 KFABMO COCC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585286772 1059073408 /nfs/dbraw/zinc/07/34/08/1059073408.db2.gz IPDLWJNOLCKXQP-LBNPDIFZSA-N 1 1 500.611 2.815 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)C[C@@H]3CCCCO3)CCO2)ccc1Cl ZINC000585286884 1059074017 /nfs/dbraw/zinc/07/40/17/1059074017.db2.gz RZOKXLUPRLUORY-HFZDXXHNSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)C[C@@H]3CCCCO3)CCO2)ccc1Cl ZINC000585286885 1059074156 /nfs/dbraw/zinc/07/41/56/1059074156.db2.gz RZOKXLUPRLUORY-LVXARBLLSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)C[C@H]3CCCCO3)CCO2)ccc1Cl ZINC000585286886 1059073941 /nfs/dbraw/zinc/07/39/41/1059073941.db2.gz RZOKXLUPRLUORY-QFQXNSOFSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)C[C@H]3CCCCO3)CCO2)ccc1Cl ZINC000585286887 1059074062 /nfs/dbraw/zinc/07/40/62/1059074062.db2.gz RZOKXLUPRLUORY-RLWLMLJZSA-N 1 1 508.059 2.748 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)Cn3cc(C(F)(F)F)cn3)CCO2)ccc1Cl ZINC000585287069 1059072471 /nfs/dbraw/zinc/07/24/71/1059072471.db2.gz SEJGUTWHFVVQFJ-DEOSSOPVSA-N 1 1 558.001 2.704 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)Cn3cc(C(F)(F)F)cn3)CCO2)ccc1Cl ZINC000585287071 1059072337 /nfs/dbraw/zinc/07/23/37/1059072337.db2.gz SEJGUTWHFVVQFJ-XMMPIXPASA-N 1 1 558.001 2.704 40 0 KFABMO COc1cccc(OCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000585287177 1059072406 /nfs/dbraw/zinc/07/24/06/1059072406.db2.gz VQRRMBJZPFQWJO-MUUNZHRXSA-N 1 1 546.064 2.877 40 0 KFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@@](O)(COc4cc(C)cc(C)c4)C3)CC2)c1 ZINC000585287222 1059071743 /nfs/dbraw/zinc/07/17/43/1059071743.db2.gz LBIQNOOTLBWEEQ-GDLZYMKVSA-N 1 1 511.663 2.618 40 0 KFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@](O)(COc4cc(C)cc(C)c4)C3)CC2)c1 ZINC000585287223 1059071850 /nfs/dbraw/zinc/07/18/50/1059071850.db2.gz LBIQNOOTLBWEEQ-LJAQVGFWSA-N 1 1 511.663 2.618 40 0 KFABMO COCC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585287232 1059071575 /nfs/dbraw/zinc/07/15/75/1059071575.db2.gz LGBQLYUGRYWQIG-KKVCJECGSA-N 1 1 518.601 2.954 40 0 KFABMO COCC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585287234 1059072191 /nfs/dbraw/zinc/07/21/91/1059072191.db2.gz LGBQLYUGRYWQIG-ZGOJTZKKSA-N 1 1 518.601 2.954 40 0 KFABMO COc1cccc(OCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000585287378 1059071914 /nfs/dbraw/zinc/07/19/14/1059071914.db2.gz VQRRMBJZPFQWJO-NDEPHWFRSA-N 1 1 546.064 2.877 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)ccc1Cl ZINC000585287496 1059071320 /nfs/dbraw/zinc/07/13/20/1059071320.db2.gz YDKMROPZGFCVIH-HHHXNRCGSA-N 1 1 548.084 2.928 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)ccc1Cl ZINC000585287497 1059071277 /nfs/dbraw/zinc/07/12/77/1059071277.db2.gz YDKMROPZGFCVIH-MHZLTWQESA-N 1 1 548.084 2.928 40 0 KFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@@](O)(COc4ccc(C)c(C)c4)C3)CC2)c1 ZINC000585287581 1059071040 /nfs/dbraw/zinc/07/10/40/1059071040.db2.gz OVEPOIROAOGWNU-GDLZYMKVSA-N 1 1 511.663 2.618 40 0 KFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@](O)(COc4ccc(C)c(C)c4)C3)CC2)c1 ZINC000585287582 1059071192 /nfs/dbraw/zinc/07/11/92/1059071192.db2.gz OVEPOIROAOGWNU-LJAQVGFWSA-N 1 1 511.663 2.618 40 0 KFABMO COCC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585288094 1059074614 /nfs/dbraw/zinc/07/46/14/1059074614.db2.gz VZSMZWJWWHTSAM-KKVCJECGSA-N 1 1 518.601 2.954 40 0 KFABMO COCC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585288095 1059074750 /nfs/dbraw/zinc/07/47/50/1059074750.db2.gz VZSMZWJWWHTSAM-ZGOJTZKKSA-N 1 1 518.601 2.954 40 0 KFABMO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CC[NH+](C)CC3)C2)cc(C)c1Cl ZINC000585288242 1059073555 /nfs/dbraw/zinc/07/35/55/1059073555.db2.gz ZFOUXMSDANGZDX-MUUNZHRXSA-N 1 1 535.129 2.565 40 0 KFABMO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CC[NH+](C)CC3)C2)cc(C)c1Cl ZINC000585288245 1059073374 /nfs/dbraw/zinc/07/33/74/1059073374.db2.gz ZFOUXMSDANGZDX-NDEPHWFRSA-N 1 1 535.129 2.565 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)C(C)(C)C)CC3=O)CC1 ZINC000958317669 1059748780 /nfs/dbraw/zinc/74/87/80/1059748780.db2.gz BLCJUIGUKIXQBO-GOTSBHOMSA-N 1 1 510.679 2.639 40 0 KFABMO CC(C)(C)C[N@H+]1Cc2ccccc2OCC=C[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000958317698 1059749595 /nfs/dbraw/zinc/74/95/95/1059749595.db2.gz FGDAFKNQTVGTII-ZEQRLZLVSA-N 1 1 510.679 2.639 40 0 KFABMO CC(C)(C)C[N@@H+]1Cc2ccccc2OCC=C[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000958317698 1059749571 /nfs/dbraw/zinc/74/95/71/1059749571.db2.gz FGDAFKNQTVGTII-ZEQRLZLVSA-N 1 1 510.679 2.639 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2ccncc2)CC3=O)CC1 ZINC000958317704 1059749692 /nfs/dbraw/zinc/74/96/92/1059749692.db2.gz GFQSZBWPVNYQBX-UIOOFZCWSA-N 1 1 517.674 2.661 40 0 KFABMO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2C[N@H+](C2CCCC2)CC3=O)CC1 ZINC000958317732 1059749736 /nfs/dbraw/zinc/74/97/36/1059749736.db2.gz IPFDHDWXULYASN-ZEQRLZLVSA-N 1 1 508.663 2.535 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)c2ccccc2)CC3=O)CC1 ZINC000958317760 1059749524 /nfs/dbraw/zinc/74/95/24/1059749524.db2.gz LEEGHMCYJPZLCW-UIOOFZCWSA-N 1 1 530.669 2.906 40 0 KFABMO CC(=O)N1CCC([N@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)CC1 ZINC000958317820 1059750204 /nfs/dbraw/zinc/75/02/04/1059750204.db2.gz PRHWCRDIOZGXTG-GOTSBHOMSA-N 1 1 508.663 2.582 40 0 KFABMO CC(=O)N1CCC([N@@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)CC1 ZINC000958317820 1059750183 /nfs/dbraw/zinc/75/01/83/1059750183.db2.gz PRHWCRDIOZGXTG-GOTSBHOMSA-N 1 1 508.663 2.582 40 0 KFABMO O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C1CCOCC1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317906 1059750883 /nfs/dbraw/zinc/75/08/83/1059750883.db2.gz YYFIXUKSAGDLGF-DQEYMECFSA-N 1 1 524.706 2.683 40 0 KFABMO C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2cccnc2)CC3=O)CC1 ZINC000958317915 1059750955 /nfs/dbraw/zinc/75/09/55/1059750955.db2.gz ZRHGJWBOJVZNCT-UIOOFZCWSA-N 1 1 517.674 2.661 40 0 KFABMO COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]2CC1=O ZINC001534609802 1059773050 /nfs/dbraw/zinc/77/30/50/1059773050.db2.gz POFGVGIJQWAZOA-FXSPECFOSA-N 1 1 504.668 2.959 40 0 KFABMO CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccc(OC)c3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534611605 1059772987 /nfs/dbraw/zinc/77/29/87/1059772987.db2.gz ALYYXNKNJVTWIK-FBILRYNDSA-N 1 1 517.692 2.959 40 0 KFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612615 1059773837 /nfs/dbraw/zinc/77/38/37/1059773837.db2.gz JGDZIDHYBBBKJE-FBILRYNDSA-N 1 1 515.676 2.711 40 0 KFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccc(C)cc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612815 1059773888 /nfs/dbraw/zinc/77/38/88/1059773888.db2.gz KXICMJFTZCEBPU-YIOBJHAYSA-N 1 1 537.682 2.887 40 0 KFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccc(C)cc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612815 1059773873 /nfs/dbraw/zinc/77/38/73/1059773873.db2.gz KXICMJFTZCEBPU-YIOBJHAYSA-N 1 1 537.682 2.887 40 0 KFABMO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cccc(OC)c4)ccc2S(=O)(=O)NC[C@H](O)CN3C)c1 ZINC001534613081 1059773931 /nfs/dbraw/zinc/77/39/31/1059773931.db2.gz PFLNFAFCPOCOOC-AQHOXQCLSA-N 1 1 553.681 2.587 40 0 KFABMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cccc(OC)c4)ccc2S(=O)(=O)NC[C@H](O)CN3C)c1 ZINC001534613081 1059773916 /nfs/dbraw/zinc/77/39/16/1059773916.db2.gz PFLNFAFCPOCOOC-AQHOXQCLSA-N 1 1 553.681 2.587 40 0 KFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613370 1059773771 /nfs/dbraw/zinc/77/37/71/1059773771.db2.gz SWXPJPQASOZKEB-PWWKTKHKSA-N 1 1 517.692 2.815 40 0 KFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CC4CCCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613683 1059774035 /nfs/dbraw/zinc/77/40/35/1059774035.db2.gz WIDCHRSPAHYXJU-RELGLDOUSA-N 1 1 529.703 2.959 40 0 KFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCC(F)(F)CC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613795 1059774101 /nfs/dbraw/zinc/77/41/01/1059774101.db2.gz YPABIHZKOVLOTO-PWWKTKHKSA-N 1 1 551.656 2.956 40 0 KFABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cccc(OC)c4)ccc2S(=O)(=O)NC[C@H](O)CN3C)cc1 ZINC001534613820 1059773742 /nfs/dbraw/zinc/77/37/42/1059773742.db2.gz YZXRCVMDCOFQHA-AQHOXQCLSA-N 1 1 553.681 2.587 40 0 KFABMO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cccc(OC)c4)ccc2S(=O)(=O)NC[C@H](O)CN3C)cc1 ZINC001534613820 1059773731 /nfs/dbraw/zinc/77/37/31/1059773731.db2.gz YZXRCVMDCOFQHA-AQHOXQCLSA-N 1 1 553.681 2.587 40 0 KFABMO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4cccnc4OC)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548889057 1059777291 /nfs/dbraw/zinc/77/72/91/1059777291.db2.gz FPBPDTBCIBEXGW-VPUSJEBWSA-N 1 1 622.744 2.823 40 0 KFABMO COc1ncccc1C[NH+]1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548889460 1059777357 /nfs/dbraw/zinc/77/73/57/1059777357.db2.gz GVEJFIUAYGMSHS-FTJBHMTQSA-N 1 1 592.718 2.815 40 0 KFABMO O=C1NC2(CC[NH+](Cc3ccncc3F)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889530 1059778106 /nfs/dbraw/zinc/77/81/06/1059778106.db2.gz HMBZGHHHTWUGAZ-RSXGOPAZSA-N 1 1 580.682 2.945 40 0 KFABMO O=C1NC2(CC[NH+](Cc3ccncc3Cl)CC2)CCOc2cc(-c3cccnc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889620 1059778066 /nfs/dbraw/zinc/77/80/66/1059778066.db2.gz JEYJKULJIJJXRC-NOZRDPDXSA-N 1 1 598.125 2.854 40 0 KFABMO O=C1NC2(CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCOc2cc(C3CCOCC3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889833 1059777994 /nfs/dbraw/zinc/77/79/94/1059777994.db2.gz KWOBJWZOWLLDCC-BVAGGSTKSA-N 1 1 605.704 2.916 40 0 KFABMO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4ccncc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548890546 1059779282 /nfs/dbraw/zinc/77/92/82/1059779282.db2.gz SGVWTNOYSPLDEA-SQHAQQRYSA-N 1 1 610.708 2.954 40 0 KFABMO