smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCN(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CC1 ZINC000514290754 1066361616 /nfs/dbraw/zinc/36/16/16/1066361616.db2.gz AIRWOGIKPDBIFP-UHFFFAOYSA-N 1 2 686.912 3.595 20 0 KHADLO CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1[C@H](CC)[NH+](C)C ZINC000514290915 1066360074 /nfs/dbraw/zinc/36/00/74/1066360074.db2.gz BARTWVAFLBMEQB-NRFANRHFSA-N 1 2 549.767 3.774 20 0 KHADLO CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1[C@@H](CC)[NH+](C)C ZINC000514290916 1066359993 /nfs/dbraw/zinc/35/99/93/1066359993.db2.gz BARTWVAFLBMEQB-OAQYLSRUSA-N 1 2 549.767 3.774 20 0 KHADLO COCCCn1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCC(=O)N1CC[NH+](C)CC1 ZINC000514291037 1066328229 /nfs/dbraw/zinc/32/82/29/1066328229.db2.gz CHZWXAFBHQZGPK-UHFFFAOYSA-N 1 2 507.081 3.681 20 0 KHADLO C[C@H](c1nnc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514291072 1066328648 /nfs/dbraw/zinc/32/86/48/1066328648.db2.gz CSYIOSCARIUEKK-MSOLQXFVSA-N 1 2 579.148 3.684 20 0 KHADLO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514291073 1066328948 /nfs/dbraw/zinc/32/89/48/1066328948.db2.gz CSYIOSCARIUEKK-QZTJIDSGSA-N 1 2 579.148 3.684 20 0 KHADLO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514291075 1066328812 /nfs/dbraw/zinc/32/88/12/1066328812.db2.gz CSYIOSCARIUEKK-ROUUACIJSA-N 1 2 579.148 3.684 20 0 KHADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1S(=O)(=O)N1CCCC1 ZINC000514291136 1066360448 /nfs/dbraw/zinc/36/04/48/1066360448.db2.gz CIDZJKQXNTXEOF-UHFFFAOYSA-N 1 2 512.657 3.747 20 0 KHADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1S(=O)(=O)N1CCCC1 ZINC000514291136 1066360431 /nfs/dbraw/zinc/36/04/31/1066360431.db2.gz CIDZJKQXNTXEOF-UHFFFAOYSA-N 1 2 512.657 3.747 20 0 KHADLO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514291294 1066362014 /nfs/dbraw/zinc/36/20/14/1066362014.db2.gz CSYIOSCARIUEKK-ZWKOTPCHSA-N 1 2 579.148 3.684 20 0 KHADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)ccc1C ZINC000514291451 1066365568 /nfs/dbraw/zinc/36/55/68/1066365568.db2.gz GGNQOQMIPJUDRW-UHFFFAOYSA-N 1 2 556.758 3.992 20 0 KHADLO CCn1c(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514291880 1066363195 /nfs/dbraw/zinc/36/31/95/1066363195.db2.gz JTWBLUUZOBTFFQ-UHFFFAOYSA-N 1 2 539.731 3.834 20 0 KHADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291887 1066363089 /nfs/dbraw/zinc/36/30/89/1066363089.db2.gz HYTAVCYFIXGCQS-GHTZIAJQSA-N 1 2 529.736 3.866 20 0 KHADLO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291890 1066363248 /nfs/dbraw/zinc/36/32/48/1066363248.db2.gz HYTAVCYFIXGCQS-NQIIRXRSSA-N 1 2 529.736 3.866 20 0 KHADLO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291892 1066362962 /nfs/dbraw/zinc/36/29/62/1066362962.db2.gz HYTAVCYFIXGCQS-RXVVDRJESA-N 1 2 529.736 3.866 20 0 KHADLO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291893 1066363181 /nfs/dbraw/zinc/36/31/81/1066363181.db2.gz HYTAVCYFIXGCQS-WIYYLYMNSA-N 1 2 529.736 3.866 20 0 KHADLO CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000514291965 1066362361 /nfs/dbraw/zinc/36/23/61/1066362361.db2.gz JBUAZCZAQLAOGZ-CNNODRBYSA-N 1 2 552.767 3.620 20 0 KHADLO CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000514291966 1066362467 /nfs/dbraw/zinc/36/24/67/1066362467.db2.gz JBUAZCZAQLAOGZ-IPJJNNNSSA-N 1 2 552.767 3.620 20 0 KHADLO CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000514291967 1066362672 /nfs/dbraw/zinc/36/26/72/1066362672.db2.gz JBUAZCZAQLAOGZ-JQVVWYNYSA-N 1 2 552.767 3.620 20 0 KHADLO CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000514291968 1066362904 /nfs/dbraw/zinc/36/29/04/1066362904.db2.gz JBUAZCZAQLAOGZ-XQBPLPMBSA-N 1 2 552.767 3.620 20 0 KHADLO CCn1c(CCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292031 1066362607 /nfs/dbraw/zinc/36/26/07/1066362607.db2.gz JJQVQGVZFVZNLN-UHFFFAOYSA-N 1 2 594.763 3.663 20 0 KHADLO CCn1c(CCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292031 1066362590 /nfs/dbraw/zinc/36/25/90/1066362590.db2.gz JJQVQGVZFVZNLN-UHFFFAOYSA-N 1 2 594.763 3.663 20 0 KHADLO CCn1c(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514292345 1066329660 /nfs/dbraw/zinc/32/96/60/1066329660.db2.gz MJHLWVOXPZBFHQ-UHFFFAOYSA-N 1 2 525.704 3.775 20 0 KHADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000514292567 1066333715 /nfs/dbraw/zinc/33/37/15/1066333715.db2.gz LUGGONMVRHPELB-KRWDZBQOSA-N 1 2 534.683 3.790 20 0 KHADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000514292571 1066334011 /nfs/dbraw/zinc/33/40/11/1066334011.db2.gz LUGGONMVRHPELB-QGZVFWFLSA-N 1 2 534.683 3.790 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292580 1066333834 /nfs/dbraw/zinc/33/38/34/1066333834.db2.gz LYRXDUCRYBXGSE-JXFKEZNVSA-N 1 2 529.538 3.899 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292582 1066333860 /nfs/dbraw/zinc/33/38/60/1066333860.db2.gz LYRXDUCRYBXGSE-OXJNMPFZSA-N 1 2 529.538 3.899 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292583 1066333661 /nfs/dbraw/zinc/33/36/61/1066333661.db2.gz LYRXDUCRYBXGSE-OXQOHEQNSA-N 1 2 529.538 3.899 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292584 1066333598 /nfs/dbraw/zinc/33/35/98/1066333598.db2.gz LYRXDUCRYBXGSE-UZLBHIALSA-N 1 2 529.538 3.899 20 0 KHADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000514292649 1066333388 /nfs/dbraw/zinc/33/33/88/1066333388.db2.gz NLEAGRWWWLSZSI-UHFFFAOYSA-N 1 2 581.764 3.965 20 0 KHADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000514292649 1066333364 /nfs/dbraw/zinc/33/33/64/1066333364.db2.gz NLEAGRWWWLSZSI-UHFFFAOYSA-N 1 2 581.764 3.965 20 0 KHADLO CCn1c(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292989 1066332201 /nfs/dbraw/zinc/33/22/01/1066332201.db2.gz QDFKQNUJBNXWPB-UHFFFAOYSA-N 1 2 581.768 3.605 20 0 KHADLO CC[C@H](c1nnc(SCc2nnc(-c3ccccc3Br)o2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292998 1066332286 /nfs/dbraw/zinc/33/22/86/1066332286.db2.gz OKMZVZCKTXQHBI-GOSISDBHSA-N 1 2 536.500 3.728 20 0 KHADLO CC[C@@H](c1nnc(SCc2nnc(-c3ccccc3Br)o2)n1CCN1CCOCC1)[NH+](C)C ZINC000514293015 1066331196 /nfs/dbraw/zinc/33/11/96/1066331196.db2.gz OKMZVZCKTXQHBI-SFHVURJKSA-N 1 2 536.500 3.728 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000514293051 1066331957 /nfs/dbraw/zinc/33/19/57/1066331957.db2.gz PCVNOJMHJQGWLD-UHFFFAOYSA-N 1 2 646.239 3.868 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000514293078 1066330950 /nfs/dbraw/zinc/33/09/50/1066330950.db2.gz POUHQRPLLRNLFD-UHFFFAOYSA-N 1 2 611.577 3.922 20 0 KHADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000514293158 1066330717 /nfs/dbraw/zinc/33/07/17/1066330717.db2.gz QNFOOGGQORAWPB-UHFFFAOYSA-N 1 2 526.684 3.749 20 0 KHADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000514293158 1066330697 /nfs/dbraw/zinc/33/06/97/1066330697.db2.gz QNFOOGGQORAWPB-UHFFFAOYSA-N 1 2 526.684 3.749 20 0 KHADLO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000514293270 1066330743 /nfs/dbraw/zinc/33/07/43/1066330743.db2.gz TVEUSJAMEOOZIS-INIZCTEOSA-N 1 2 532.592 3.575 20 0 KHADLO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000514293272 1066330863 /nfs/dbraw/zinc/33/08/63/1066330863.db2.gz TVEUSJAMEOOZIS-MRXNPFEDSA-N 1 2 532.592 3.575 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000514293280 1066334824 /nfs/dbraw/zinc/33/48/24/1066334824.db2.gz TWXDGSKAANZJOT-UHFFFAOYSA-N 1 2 508.692 3.809 20 0 KHADLO Cc1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514293543 1066336406 /nfs/dbraw/zinc/33/64/06/1066336406.db2.gz SNWCXPVBTNZCNB-MOPGFXCFSA-N 1 2 593.175 3.992 20 0 KHADLO Cc1ccc(NC(=O)[C@H](C)Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514293544 1066336249 /nfs/dbraw/zinc/33/62/49/1066336249.db2.gz SNWCXPVBTNZCNB-OALUTQOASA-N 1 2 593.175 3.992 20 0 KHADLO Cc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514293545 1066336168 /nfs/dbraw/zinc/33/61/68/1066336168.db2.gz SNWCXPVBTNZCNB-RBUKOAKNSA-N 1 2 593.175 3.992 20 0 KHADLO Cc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514293547 1066336466 /nfs/dbraw/zinc/33/64/66/1066336466.db2.gz SNWCXPVBTNZCNB-RTBURBONSA-N 1 2 593.175 3.992 20 0 KHADLO COc1ccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000514293827 1066335290 /nfs/dbraw/zinc/33/52/90/1066335290.db2.gz WRTKVURFWVOKDK-UHFFFAOYSA-N 1 2 570.741 3.777 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)[NH+](C)C ZINC000514293881 1066338255 /nfs/dbraw/zinc/33/82/55/1066338255.db2.gz UMUDCUYEEYVYES-JXFKEZNVSA-N 1 2 529.538 3.899 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)[NH+](C)C ZINC000514293882 1066338447 /nfs/dbraw/zinc/33/84/47/1066338447.db2.gz UMUDCUYEEYVYES-OXJNMPFZSA-N 1 2 529.538 3.899 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)[NH+](C)C ZINC000514293883 1066338163 /nfs/dbraw/zinc/33/81/63/1066338163.db2.gz UMUDCUYEEYVYES-OXQOHEQNSA-N 1 2 529.538 3.899 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)[NH+](C)C ZINC000514293886 1066338227 /nfs/dbraw/zinc/33/82/27/1066338227.db2.gz UMUDCUYEEYVYES-UZLBHIALSA-N 1 2 529.538 3.899 20 0 KHADLO CCOC(=O)C1CCN(C(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)CC1 ZINC000514293971 1066339409 /nfs/dbraw/zinc/33/94/09/1066339409.db2.gz YJGVYYVMZOPPGV-UHFFFAOYSA-N 1 2 537.633 3.748 20 0 KHADLO CC(C)CN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514294255 1066337953 /nfs/dbraw/zinc/33/79/53/1066337953.db2.gz ZWVSLIXZPKDIPN-UHFFFAOYSA-N 1 2 602.765 3.596 20 0 KHADLO CCCCn1c(SCC(=O)N(CCC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1[C@H](CC)[NH+](C)C ZINC000514294291 1066339378 /nfs/dbraw/zinc/33/93/78/1066339378.db2.gz VYVJGMZMKVSMTG-FQEVSTJZSA-N 1 2 556.737 3.519 20 0 KHADLO CCCCn1c(SCC(=O)N(CCC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1[C@@H](CC)[NH+](C)C ZINC000514294294 1066339186 /nfs/dbraw/zinc/33/91/86/1066339186.db2.gz VYVJGMZMKVSMTG-HXUWFJFHSA-N 1 2 556.737 3.519 20 0 KHADLO CCOC(=O)c1oc2ccccc2c1CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514294330 1066341813 /nfs/dbraw/zinc/34/18/13/1066341813.db2.gz WODZRXOLIZJTEC-FQEVSTJZSA-N 1 2 501.653 3.838 20 0 KHADLO CCOC(=O)c1oc2ccccc2c1CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514294331 1066341617 /nfs/dbraw/zinc/34/16/17/1066341617.db2.gz WODZRXOLIZJTEC-HXUWFJFHSA-N 1 2 501.653 3.838 20 0 KHADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000514294401 1066342245 /nfs/dbraw/zinc/34/22/45/1066342245.db2.gz YUSGVESYMBUFGS-KRWDZBQOSA-N 1 2 564.709 3.799 20 0 KHADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000514294402 1066342322 /nfs/dbraw/zinc/34/23/22/1066342322.db2.gz YUSGVESYMBUFGS-QGZVFWFLSA-N 1 2 564.709 3.799 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000514294413 1066342070 /nfs/dbraw/zinc/34/20/70/1066342070.db2.gz ZBQUHXRCQQSVGN-JOCHJYFZSA-N 1 2 552.166 3.957 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000514294414 1066342007 /nfs/dbraw/zinc/34/20/07/1066342007.db2.gz ZBQUHXRCQQSVGN-QFIPXVFZSA-N 1 2 552.166 3.957 20 0 KHADLO Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514294427 1066342291 /nfs/dbraw/zinc/34/22/91/1066342291.db2.gz ZKZDYFNOOIBXMW-FQEVSTJZSA-N 1 2 605.186 3.965 20 0 KHADLO Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514294428 1066342133 /nfs/dbraw/zinc/34/21/33/1066342133.db2.gz ZKZDYFNOOIBXMW-HXUWFJFHSA-N 1 2 605.186 3.965 20 0 KHADLO C[C@@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514295494 1066345310 /nfs/dbraw/zinc/34/53/10/1066345310.db2.gz BVLVZNMTVBADAH-FCHUYYIVSA-N 1 2 584.768 3.954 20 0 KHADLO C[C@@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514295495 1066345168 /nfs/dbraw/zinc/34/51/68/1066345168.db2.gz BVLVZNMTVBADAH-FGZHOGPDSA-N 1 2 584.768 3.954 20 0 KHADLO C[C@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514295496 1066345252 /nfs/dbraw/zinc/34/52/52/1066345252.db2.gz BVLVZNMTVBADAH-VXKWHMMOSA-N 1 2 584.768 3.954 20 0 KHADLO C[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000514295498 1066345043 /nfs/dbraw/zinc/34/50/43/1066345043.db2.gz BVLVZNMTVBADAH-YADHBBJMSA-N 1 2 584.768 3.954 20 0 KHADLO CC(C)CN(C(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514296752 1066347306 /nfs/dbraw/zinc/34/73/06/1066347306.db2.gz KPSBOMPVWHTQLQ-IFMALSPDSA-N 1 2 519.737 3.578 20 0 KHADLO CC(C)CN(C(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514296758 1066347330 /nfs/dbraw/zinc/34/73/30/1066347330.db2.gz KPSBOMPVWHTQLQ-IRLDBZIGSA-N 1 2 519.737 3.578 20 0 KHADLO CC(C)CN(C(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514296760 1066347539 /nfs/dbraw/zinc/34/75/39/1066347539.db2.gz KPSBOMPVWHTQLQ-RBBKRZOGSA-N 1 2 519.737 3.578 20 0 KHADLO CC(C)CN(C(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514296763 1066347681 /nfs/dbraw/zinc/34/76/81/1066347681.db2.gz KPSBOMPVWHTQLQ-UNMCSNQZSA-N 1 2 519.737 3.578 20 0 KHADLO CCCCCN(C(=O)CCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514297449 1066351438 /nfs/dbraw/zinc/35/14/38/1066351438.db2.gz WEVBTHHJTIEBBK-UHFFFAOYSA-N 1 2 561.753 3.962 20 0 KHADLO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000514298624 1066354096 /nfs/dbraw/zinc/35/40/96/1066354096.db2.gz CTGAYCRJUUSCRL-UHFFFAOYSA-N 1 2 569.753 3.821 20 0 KHADLO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000514298624 1066354089 /nfs/dbraw/zinc/35/40/89/1066354089.db2.gz CTGAYCRJUUSCRL-UHFFFAOYSA-N 1 2 569.753 3.821 20 0 KHADLO CCOC(=O)c1sc2nc(C)nc(Sc3nnc([C@H](CC)[NH+](C)C)n3CCN3CCOCC3)c2c1C ZINC000514298807 1066353540 /nfs/dbraw/zinc/35/35/40/1066353540.db2.gz GTGMNVZCFSECOG-KRWDZBQOSA-N 1 2 533.724 3.572 20 0 KHADLO CCOC(=O)c1sc2nc(C)nc(Sc3nnc([C@@H](CC)[NH+](C)C)n3CCN3CCOCC3)c2c1C ZINC000514298808 1066353743 /nfs/dbraw/zinc/35/37/43/1066353743.db2.gz GTGMNVZCFSECOG-QGZVFWFLSA-N 1 2 533.724 3.572 20 0 KHADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)CC1 ZINC000514298897 1066353028 /nfs/dbraw/zinc/35/30/28/1066353028.db2.gz AIYFRNJZUQHOGT-INIZCTEOSA-N 1 2 501.454 3.737 20 0 KHADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)CC1 ZINC000514298898 1066353260 /nfs/dbraw/zinc/35/32/60/1066353260.db2.gz AIYFRNJZUQHOGT-MRXNPFEDSA-N 1 2 501.454 3.737 20 0 KHADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2c1C ZINC000514299110 1066352680 /nfs/dbraw/zinc/35/26/80/1066352680.db2.gz DNILZAZUXZWZEJ-UHFFFAOYSA-N 1 2 524.691 3.616 20 0 KHADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000514299413 1066358390 /nfs/dbraw/zinc/35/83/90/1066358390.db2.gz FIROPXMBTYHKIY-UHFFFAOYSA-N 1 2 512.459 3.865 20 0 KHADLO CC[C@@H](c1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1CCN1CCOCC1)[NH+](C)C ZINC000514299606 1066357507 /nfs/dbraw/zinc/35/75/07/1066357507.db2.gz HBJRIZQNFOLYFK-KRWDZBQOSA-N 1 2 529.692 3.886 20 0 KHADLO CC[C@H](c1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1CCN1CCOCC1)[NH+](C)C ZINC000514299607 1066357239 /nfs/dbraw/zinc/35/72/39/1066357239.db2.gz HBJRIZQNFOLYFK-QGZVFWFLSA-N 1 2 529.692 3.886 20 0 KHADLO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000514300206 1066355122 /nfs/dbraw/zinc/35/51/22/1066355122.db2.gz LSAMFFWKZAKRFM-AUSIDOKSSA-N 1 2 501.649 3.637 20 0 KHADLO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000514300209 1066355039 /nfs/dbraw/zinc/35/50/39/1066355039.db2.gz LSAMFFWKZAKRFM-CVDCTZTESA-N 1 2 501.649 3.637 20 0 KHADLO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000514300210 1066355067 /nfs/dbraw/zinc/35/50/67/1066355067.db2.gz LSAMFFWKZAKRFM-WMZHIEFXSA-N 1 2 501.649 3.637 20 0 KHADLO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000514300211 1066355161 /nfs/dbraw/zinc/35/51/61/1066355161.db2.gz LSAMFFWKZAKRFM-XXBNENTESA-N 1 2 501.649 3.637 20 0 KHADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514300257 1066354583 /nfs/dbraw/zinc/35/45/83/1066354583.db2.gz MMCDDQHEPAHLPQ-HSZRJFAPSA-N 1 2 511.623 3.826 20 0 KHADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514300258 1066354627 /nfs/dbraw/zinc/35/46/27/1066354627.db2.gz MMCDDQHEPAHLPQ-QHCPKHFHSA-N 1 2 511.623 3.826 20 0 KHADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1C ZINC000514300737 1066360187 /nfs/dbraw/zinc/36/01/87/1066360187.db2.gz SHUMLRDKYSHRJK-UHFFFAOYSA-N 1 2 580.683 3.850 20 0 KHADLO O=C(CN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000514300743 1066359540 /nfs/dbraw/zinc/35/95/40/1066359540.db2.gz SRBWBUGGWCINFS-INIZCTEOSA-N 1 2 522.351 3.888 20 0 KHADLO O=C(CN1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000514300744 1066359659 /nfs/dbraw/zinc/35/96/59/1066359659.db2.gz SRBWBUGGWCINFS-MRXNPFEDSA-N 1 2 522.351 3.888 20 0 KHADLO CCCCCn1c(CCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000514301337 1066372852 /nfs/dbraw/zinc/37/28/52/1066372852.db2.gz ZKKIRFBTSGGKNS-UHFFFAOYSA-N 1 2 524.666 3.692 20 0 KHADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)CC1 ZINC000514301992 1066372088 /nfs/dbraw/zinc/37/20/88/1066372088.db2.gz KONNNQITGPXHCC-HSZRJFAPSA-N 1 2 504.704 3.920 20 0 KHADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)CC1 ZINC000514301995 1066372011 /nfs/dbraw/zinc/37/20/11/1066372011.db2.gz KONNNQITGPXHCC-QHCPKHFHSA-N 1 2 504.704 3.920 20 0 KHADLO CCCCn1c(N)c(N(CC)C(=O)CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)c(=O)[nH]c1=O ZINC000514302080 1066371064 /nfs/dbraw/zinc/37/10/64/1066371064.db2.gz ATQLNGVSUBSCHC-IBGZPJMESA-N 1 2 554.721 3.604 20 0 KHADLO CCCCn1c(N)c(N(CC)C(=O)CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)c(=O)[nH]c1=O ZINC000514302081 1066371244 /nfs/dbraw/zinc/37/12/44/1066371244.db2.gz ATQLNGVSUBSCHC-LJQANCHMSA-N 1 2 554.721 3.604 20 0 KHADLO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514302694 1066366910 /nfs/dbraw/zinc/36/69/10/1066366910.db2.gz QDUDVPNEBDFEOQ-GOSISDBHSA-N 1 2 529.066 3.575 20 0 KHADLO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514302695 1066367141 /nfs/dbraw/zinc/36/71/41/1066367141.db2.gz QDUDVPNEBDFEOQ-SFHVURJKSA-N 1 2 529.066 3.575 20 0 KHADLO COC(=O)CCCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514303806 1066368456 /nfs/dbraw/zinc/36/84/56/1066368456.db2.gz ZRBVZWMBLDGYCK-UHFFFAOYSA-N 1 2 538.670 3.693 20 0 KHADLO COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000514304422 1066369275 /nfs/dbraw/zinc/36/92/75/1066369275.db2.gz SZORDMWIPBBDBS-GDLZYMKVSA-N 1 2 521.683 3.861 20 0 KHADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000514304423 1066369387 /nfs/dbraw/zinc/36/93/87/1066369387.db2.gz SZORDMWIPBBDBS-LJAQVGFWSA-N 1 2 521.683 3.861 20 0 KHADLO CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc([C@@H](CC)[NH+](C)C)n2CCN2CCOCC2)nc1C ZINC000514374347 1066375160 /nfs/dbraw/zinc/37/51/60/1066375160.db2.gz AJDIPRMEZMIRCQ-HSZRJFAPSA-N 1 2 615.826 3.890 20 0 KHADLO CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc([C@H](CC)[NH+](C)C)n2CCN2CCOCC2)nc1C ZINC000514374351 1066375373 /nfs/dbraw/zinc/37/53/73/1066375373.db2.gz AJDIPRMEZMIRCQ-QHCPKHFHSA-N 1 2 615.826 3.890 20 0 KHADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514374388 1066376183 /nfs/dbraw/zinc/37/61/83/1066376183.db2.gz BHCDAIDSGOTQIS-FQEVSTJZSA-N 1 2 636.747 3.995 20 0 KHADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514374393 1066376256 /nfs/dbraw/zinc/37/62/56/1066376256.db2.gz BHCDAIDSGOTQIS-HXUWFJFHSA-N 1 2 636.747 3.995 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514374463 1066380435 /nfs/dbraw/zinc/38/04/35/1066380435.db2.gz CCUUEOCMMBZBGY-JOCHJYFZSA-N 1 2 554.765 3.837 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514374464 1066380502 /nfs/dbraw/zinc/38/05/02/1066380502.db2.gz CCUUEOCMMBZBGY-QFIPXVFZSA-N 1 2 554.765 3.837 20 0 KHADLO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000514374631 1066379448 /nfs/dbraw/zinc/37/94/48/1066379448.db2.gz DLKNBFFDTLORFZ-UHFFFAOYSA-N 1 2 542.687 3.500 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514374746 1066379477 /nfs/dbraw/zinc/37/94/77/1066379477.db2.gz GXIJWDXMXKJTSN-UHFFFAOYSA-N 1 2 622.720 3.606 20 0 KHADLO COc1ccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000514374941 1066377972 /nfs/dbraw/zinc/37/79/72/1066377972.db2.gz IKPHKJPCYZGZKP-UHFFFAOYSA-N 1 2 584.768 3.836 20 0 KHADLO CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514374948 1066378810 /nfs/dbraw/zinc/37/88/10/1066378810.db2.gz IRAYWCQEZPUNRK-FQEVSTJZSA-N 1 2 566.794 3.791 20 0 KHADLO CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514374951 1066378769 /nfs/dbraw/zinc/37/87/69/1066378769.db2.gz IRAYWCQEZPUNRK-HXUWFJFHSA-N 1 2 566.794 3.791 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1CCN1CCOCC1)[NH+](C)C ZINC000514375005 1066377746 /nfs/dbraw/zinc/37/77/46/1066377746.db2.gz JQMNJRRAWJXZAA-JOCHJYFZSA-N 1 2 502.729 3.542 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1CCN1CCOCC1)[NH+](C)C ZINC000514375006 1066378267 /nfs/dbraw/zinc/37/82/67/1066378267.db2.gz JQMNJRRAWJXZAA-QFIPXVFZSA-N 1 2 502.729 3.542 20 0 KHADLO C[C@@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514375147 1066377136 /nfs/dbraw/zinc/37/71/36/1066377136.db2.gz LXUZYVQXRGWBFM-INIZCTEOSA-N 1 2 599.566 3.948 20 0 KHADLO C[C@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514375148 1066377239 /nfs/dbraw/zinc/37/72/39/1066377239.db2.gz LXUZYVQXRGWBFM-MRXNPFEDSA-N 1 2 599.566 3.948 20 0 KHADLO CC(C)CN(C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514375229 1066376583 /nfs/dbraw/zinc/37/65/83/1066376583.db2.gz MZKBULWPXXXDGD-UHFFFAOYSA-N 1 2 602.765 3.927 20 0 KHADLO CCCCN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514375421 1066384999 /nfs/dbraw/zinc/38/49/99/1066384999.db2.gz PAJRTIRTGKFNJK-UHFFFAOYSA-N 1 2 575.139 3.696 20 0 KHADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514375469 1066385018 /nfs/dbraw/zinc/38/50/18/1066385018.db2.gz RCVQCTNELXQLLE-FQEVSTJZSA-N 1 2 636.747 3.995 20 0 KHADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514375470 1066385057 /nfs/dbraw/zinc/38/50/57/1066385057.db2.gz RCVQCTNELXQLLE-HXUWFJFHSA-N 1 2 636.747 3.995 20 0 KHADLO CC[C@@H](c1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1CCN1CCOCC1)[NH+](C)C ZINC000514375576 1066384156 /nfs/dbraw/zinc/38/41/56/1066384156.db2.gz SARAJGYICUCKBC-KRWDZBQOSA-N 1 2 517.725 3.504 20 0 KHADLO CC[C@H](c1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1CCN1CCOCC1)[NH+](C)C ZINC000514375581 1066384112 /nfs/dbraw/zinc/38/41/12/1066384112.db2.gz SARAJGYICUCKBC-QGZVFWFLSA-N 1 2 517.725 3.504 20 0 KHADLO CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)C1 ZINC000514375637 1066384538 /nfs/dbraw/zinc/38/45/38/1066384538.db2.gz UEWJLNRWQLJEQO-GOSISDBHSA-N 1 2 537.633 3.748 20 0 KHADLO CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)C1 ZINC000514375639 1066384459 /nfs/dbraw/zinc/38/44/59/1066384459.db2.gz UEWJLNRWQLJEQO-SFHVURJKSA-N 1 2 537.633 3.748 20 0 KHADLO CCCCN(C(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514375700 1066384032 /nfs/dbraw/zinc/38/40/32/1066384032.db2.gz UGMRDPAYUBZGBU-NRFANRHFSA-N 1 2 570.764 3.909 20 0 KHADLO CCCCN(C(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514375704 1066383953 /nfs/dbraw/zinc/38/39/53/1066383953.db2.gz UGMRDPAYUBZGBU-OAQYLSRUSA-N 1 2 570.764 3.909 20 0 KHADLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514375724 1066383092 /nfs/dbraw/zinc/38/30/92/1066383092.db2.gz UPQYMQXZRLPINE-IBGZPJMESA-N 1 2 576.745 3.852 20 0 KHADLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514375725 1066382817 /nfs/dbraw/zinc/38/28/17/1066382817.db2.gz UPQYMQXZRLPINE-LJQANCHMSA-N 1 2 576.745 3.852 20 0 KHADLO C[C@@H](c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514375729 1066383007 /nfs/dbraw/zinc/38/30/07/1066383007.db2.gz UUJHIHIAOGPUPM-SBNSQYLKSA-N 1 2 500.644 3.916 20 0 KHADLO C[C@H](c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514375730 1066383061 /nfs/dbraw/zinc/38/30/61/1066383061.db2.gz UUJHIHIAOGPUPM-SIGOSDGXSA-N 1 2 500.644 3.916 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1CCN1CCOCC1)[NH+](C)C ZINC000514375769 1066383511 /nfs/dbraw/zinc/38/35/11/1066383511.db2.gz VRDSNSSCDJIQIV-NRFANRHFSA-N 1 2 529.736 3.786 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1CCN1CCOCC1)[NH+](C)C ZINC000514375770 1066383465 /nfs/dbraw/zinc/38/34/65/1066383465.db2.gz VRDSNSSCDJIQIV-OAQYLSRUSA-N 1 2 529.736 3.786 20 0 KHADLO CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514375771 1066383604 /nfs/dbraw/zinc/38/36/04/1066383604.db2.gz VRMWVVAFMCWQBN-HSZRJFAPSA-N 1 2 526.707 3.949 20 0 KHADLO CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514375777 1066383413 /nfs/dbraw/zinc/38/34/13/1066383413.db2.gz VRMWVVAFMCWQBN-QHCPKHFHSA-N 1 2 526.707 3.949 20 0 KHADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000514375936 1066381081 /nfs/dbraw/zinc/38/10/81/1066381081.db2.gz XBLRSQXQYXHEKR-UHFFFAOYSA-N 1 2 528.704 3.624 20 0 KHADLO CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000514375997 1066381557 /nfs/dbraw/zinc/38/15/57/1066381557.db2.gz YZSYAMFEIYXCEE-FXAWDEMLSA-N 1 2 510.730 3.897 20 0 KHADLO CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000514375998 1066381350 /nfs/dbraw/zinc/38/13/50/1066381350.db2.gz YZSYAMFEIYXCEE-PXNSSMCTSA-N 1 2 510.730 3.897 20 0 KHADLO CCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000514375999 1066381531 /nfs/dbraw/zinc/38/15/31/1066381531.db2.gz YZSYAMFEIYXCEE-XLIONFOSSA-N 1 2 510.730 3.897 20 0 KHADLO CCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000514376000 1066381580 /nfs/dbraw/zinc/38/15/80/1066381580.db2.gz YZSYAMFEIYXCEE-YLJYHZDGSA-N 1 2 510.730 3.897 20 0 KHADLO CCCCCN(C(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514376027 1066381882 /nfs/dbraw/zinc/38/18/82/1066381882.db2.gz ZQHHFSARAVODRC-GOSISDBHSA-N 1 2 574.727 3.989 20 0 KHADLO CCCCCN(C(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514376028 1066381982 /nfs/dbraw/zinc/38/19/82/1066381982.db2.gz ZQHHFSARAVODRC-SFHVURJKSA-N 1 2 574.727 3.989 20 0 KHADLO C[C@@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514376031 1066381952 /nfs/dbraw/zinc/38/19/52/1066381952.db2.gz ZTFMGFULMKQIBQ-KRWDZBQOSA-N 1 2 532.667 3.544 20 0 KHADLO C[C@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514376032 1066382067 /nfs/dbraw/zinc/38/20/67/1066382067.db2.gz ZTFMGFULMKQIBQ-QGZVFWFLSA-N 1 2 532.667 3.544 20 0 KHADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000514377106 1066386473 /nfs/dbraw/zinc/38/64/73/1066386473.db2.gz LUGNYVADQIJVSS-UHFFFAOYSA-N 1 2 514.648 3.880 20 0 KHADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000514377106 1066386456 /nfs/dbraw/zinc/38/64/56/1066386456.db2.gz LUGNYVADQIJVSS-UHFFFAOYSA-N 1 2 514.648 3.880 20 0 KHADLO CCn1c(CCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514377358 1066385748 /nfs/dbraw/zinc/38/57/48/1066385748.db2.gz RYPPWPJAUAORQQ-UHFFFAOYSA-N 1 2 552.726 3.893 20 0 KHADLO CCn1c(CCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514377358 1066385732 /nfs/dbraw/zinc/38/57/32/1066385732.db2.gz RYPPWPJAUAORQQ-UHFFFAOYSA-N 1 2 552.726 3.893 20 0 KHADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514377421 1066392781 /nfs/dbraw/zinc/39/27/81/1066392781.db2.gz UWMUVABDBKATPS-NRFANRHFSA-N 1 2 615.388 3.630 20 0 KHADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514377421 1066392764 /nfs/dbraw/zinc/39/27/64/1066392764.db2.gz UWMUVABDBKATPS-NRFANRHFSA-N 1 2 615.388 3.630 20 0 KHADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514377422 1066392665 /nfs/dbraw/zinc/39/26/65/1066392665.db2.gz UWMUVABDBKATPS-OAQYLSRUSA-N 1 2 615.388 3.630 20 0 KHADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514377422 1066392655 /nfs/dbraw/zinc/39/26/55/1066392655.db2.gz UWMUVABDBKATPS-OAQYLSRUSA-N 1 2 615.388 3.630 20 0 KHADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000514377549 1066391891 /nfs/dbraw/zinc/39/18/91/1066391891.db2.gz ZLZOZCWTRSFUCV-UHFFFAOYSA-N 1 2 538.695 3.943 20 0 KHADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000514377549 1066391876 /nfs/dbraw/zinc/39/18/76/1066391876.db2.gz ZLZOZCWTRSFUCV-UHFFFAOYSA-N 1 2 538.695 3.943 20 0 KHADLO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CC[NH+](CC)CC3)ccc2OC)cc1Br ZINC000514379667 1066397924 /nfs/dbraw/zinc/39/79/24/1066397924.db2.gz CPLFMUVSXZEXMV-UHFFFAOYSA-N 1 2 569.522 3.623 20 0 KHADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000514381531 1066398903 /nfs/dbraw/zinc/39/89/03/1066398903.db2.gz ILOCLXOZWTUBCG-NRFANRHFSA-N 1 2 600.767 3.575 20 0 KHADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000514381532 1066399070 /nfs/dbraw/zinc/39/90/70/1066399070.db2.gz ILOCLXOZWTUBCG-OAQYLSRUSA-N 1 2 600.767 3.575 20 0 KHADLO CCCCn1c(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514381715 1066448702 /nfs/dbraw/zinc/44/87/02/1066448702.db2.gz PJTIEDUITYUWMW-UHFFFAOYSA-N 1 2 526.707 3.543 20 0 KHADLO C[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000514381826 1066448134 /nfs/dbraw/zinc/44/81/34/1066448134.db2.gz UZDHAJIUFNJXQI-MSOLQXFVSA-N 1 2 514.677 3.581 20 0 KHADLO C[C@@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000514381827 1066447997 /nfs/dbraw/zinc/44/79/97/1066447997.db2.gz UZDHAJIUFNJXQI-QZTJIDSGSA-N 1 2 514.677 3.581 20 0 KHADLO C[C@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000514381845 1066448639 /nfs/dbraw/zinc/44/86/39/1066448639.db2.gz UZDHAJIUFNJXQI-ROUUACIJSA-N 1 2 514.677 3.581 20 0 KHADLO C[C@@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000514381846 1066448147 /nfs/dbraw/zinc/44/81/47/1066448147.db2.gz UZDHAJIUFNJXQI-ZWKOTPCHSA-N 1 2 514.677 3.581 20 0 KHADLO CC(=O)c1sc2nc(CSc3nnc(-c4ccc(F)cc4)n3CC[NH+]3CCOCC3)[nH]c(=O)c2c1C ZINC000514383420 1066409689 /nfs/dbraw/zinc/40/96/89/1066409689.db2.gz IYJUYDHHTUCSQO-UHFFFAOYSA-N 1 2 528.635 3.518 20 0 KHADLO Cc1nn(C)c(C)c1NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514383900 1066406814 /nfs/dbraw/zinc/40/68/14/1066406814.db2.gz NKELDNAGIPHYEM-UHFFFAOYSA-N 1 2 505.595 3.936 20 0 KHADLO C[C@H](Sc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000514383920 1066407780 /nfs/dbraw/zinc/40/77/80/1066407780.db2.gz NQXUCZAQQOZWKX-NRFANRHFSA-N 1 2 602.758 3.710 20 0 KHADLO C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000514383923 1066407716 /nfs/dbraw/zinc/40/77/16/1066407716.db2.gz NQXUCZAQQOZWKX-OAQYLSRUSA-N 1 2 602.758 3.710 20 0 KHADLO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000514384502 1066412939 /nfs/dbraw/zinc/41/29/39/1066412939.db2.gz UCQNTCMJAXKBFQ-JOCHJYFZSA-N 1 2 510.487 3.994 20 0 KHADLO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000514384503 1066412856 /nfs/dbraw/zinc/41/28/56/1066412856.db2.gz UCQNTCMJAXKBFQ-QFIPXVFZSA-N 1 2 510.487 3.994 20 0 KHADLO CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000514384506 1066413006 /nfs/dbraw/zinc/41/30/06/1066413006.db2.gz UKTJVKGFOKVKDT-UHFFFAOYSA-N 1 2 540.665 3.629 20 0 KHADLO CCCCn1c(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514384767 1066411761 /nfs/dbraw/zinc/41/17/61/1066411761.db2.gz WMDARGCCVOISGX-UHFFFAOYSA-N 1 2 569.772 3.948 20 0 KHADLO CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514384931 1066410860 /nfs/dbraw/zinc/41/08/60/1066410860.db2.gz XADVGVQBWFSCPC-FQEVSTJZSA-N 1 2 532.515 3.864 20 0 KHADLO CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514384932 1066410917 /nfs/dbraw/zinc/41/09/17/1066410917.db2.gz XADVGVQBWFSCPC-HXUWFJFHSA-N 1 2 532.515 3.864 20 0 KHADLO CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514385116 1066410730 /nfs/dbraw/zinc/41/07/30/1066410730.db2.gz ZCAOUPVJHIIBNY-NRFANRHFSA-N 1 2 532.515 3.864 20 0 KHADLO CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514385117 1066410961 /nfs/dbraw/zinc/41/09/61/1066410961.db2.gz ZCAOUPVJHIIBNY-OAQYLSRUSA-N 1 2 532.515 3.864 20 0 KHADLO COCCCn1c(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000514385548 1066418559 /nfs/dbraw/zinc/41/85/59/1066418559.db2.gz LWBCSDZKHJYLMG-UHFFFAOYSA-N 1 2 541.674 3.562 20 0 KHADLO COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2CC(C)C)cc1 ZINC000514385599 1066417063 /nfs/dbraw/zinc/41/70/63/1066417063.db2.gz NQEDJNLQFDIWMB-UHFFFAOYSA-N 1 2 509.676 3.850 20 0 KHADLO COc1cc(CNC(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000514385993 1066415555 /nfs/dbraw/zinc/41/55/55/1066415555.db2.gz AGSOSJKKXNWTGA-UHFFFAOYSA-N 1 2 532.066 3.951 20 0 KHADLO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)n2CC ZINC000514386088 1066414895 /nfs/dbraw/zinc/41/48/95/1066414895.db2.gz CPBHYTULFXRAPI-UHFFFAOYSA-N 1 2 545.731 3.650 20 0 KHADLO CCCCn1c2nc(CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(F)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000514386299 1066413666 /nfs/dbraw/zinc/41/36/66/1066413666.db2.gz JUNXNPQKROCJKK-HNNXBMFYSA-N 1 2 514.631 3.753 20 0 KHADLO CCCCn1c2nc(CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(F)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000514386300 1066413693 /nfs/dbraw/zinc/41/36/93/1066413693.db2.gz JUNXNPQKROCJKK-OAHLLOKOSA-N 1 2 514.631 3.753 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514386360 1066414240 /nfs/dbraw/zinc/41/42/40/1066414240.db2.gz MCFVMVXYEXFBSV-QPPBQGQZSA-N 1 2 546.738 3.822 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514386361 1066414309 /nfs/dbraw/zinc/41/43/09/1066414309.db2.gz MCFVMVXYEXFBSV-URXFXBBRSA-N 1 2 546.738 3.822 20 0 KHADLO CC[C@@H](c1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514386362 1066414342 /nfs/dbraw/zinc/41/43/42/1066414342.db2.gz MCFVMVXYEXFBSV-XUZZJYLKSA-N 1 2 546.738 3.822 20 0 KHADLO CC[C@H](c1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514386363 1066414288 /nfs/dbraw/zinc/41/42/88/1066414288.db2.gz MCFVMVXYEXFBSV-ZJSXRUAMSA-N 1 2 546.738 3.822 20 0 KHADLO CCCCn1c(N)c(N(C(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)C2CCCC2)c(=O)[nH]c1=O ZINC000514386511 1066422747 /nfs/dbraw/zinc/42/27/47/1066422747.db2.gz QSULAVUMYFMTRC-UHFFFAOYSA-N 1 2 580.759 3.966 20 0 KHADLO O=C(CN1CCN(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000514386557 1066422779 /nfs/dbraw/zinc/42/27/79/1066422779.db2.gz SJTABKLTWGCWPP-UHFFFAOYSA-N 1 2 587.672 3.757 20 0 KHADLO CNS(=O)(=O)c1cc(NC(=O)CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)ccc1C ZINC000514386589 1066422830 /nfs/dbraw/zinc/42/28/30/1066422830.db2.gz ULLLFSKRRBPOAX-IBGZPJMESA-N 1 2 528.704 3.762 20 0 KHADLO CNS(=O)(=O)c1cc(NC(=O)CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)ccc1C ZINC000514386590 1066422796 /nfs/dbraw/zinc/42/27/96/1066422796.db2.gz ULLLFSKRRBPOAX-LJQANCHMSA-N 1 2 528.704 3.762 20 0 KHADLO CCc1ccccc1NC(=O)CNC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514386622 1066422139 /nfs/dbraw/zinc/42/21/39/1066422139.db2.gz VYCTUSBXPCKGQE-UHFFFAOYSA-N 1 2 513.067 3.926 20 0 KHADLO CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514386643 1066422207 /nfs/dbraw/zinc/42/22/07/1066422207.db2.gz WJVKHNIGZRXFLZ-UHFFFAOYSA-N 1 2 533.123 3.835 20 0 KHADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CC1 ZINC000514386657 1066422171 /nfs/dbraw/zinc/42/21/71/1066422171.db2.gz XARXGSCGOUGWTA-UHFFFAOYSA-N 1 2 561.756 3.745 20 0 KHADLO COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C[NH+]3CCCCC3)n1-c1ccccc1)CC2 ZINC000514386676 1066421575 /nfs/dbraw/zinc/42/15/75/1066421575.db2.gz XZACHCJSBVPKQW-UHFFFAOYSA-N 1 2 507.660 3.947 20 0 KHADLO Cc1cc(N2CCN(C(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(C)cc3=O)CC2)nc(C(C)C)[nH+]1 ZINC000514387472 1066428876 /nfs/dbraw/zinc/42/88/76/1066428876.db2.gz IANRJALDIYKNOE-UHFFFAOYSA-N 1 2 500.525 3.744 20 0 KHADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)[NH+](C)C ZINC000514387636 1066427214 /nfs/dbraw/zinc/42/72/14/1066427214.db2.gz GXQVCSPFOTWXPU-FXAWDEMLSA-N 1 2 539.544 3.813 20 0 KHADLO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)[NH+](C)C ZINC000514387637 1066427898 /nfs/dbraw/zinc/42/78/98/1066427898.db2.gz GXQVCSPFOTWXPU-PXNSSMCTSA-N 1 2 539.544 3.813 20 0 KHADLO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)[NH+](C)C ZINC000514387638 1066428113 /nfs/dbraw/zinc/42/81/13/1066428113.db2.gz GXQVCSPFOTWXPU-XLIONFOSSA-N 1 2 539.544 3.813 20 0 KHADLO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)[NH+](C)C ZINC000514387639 1066427993 /nfs/dbraw/zinc/42/79/93/1066427993.db2.gz GXQVCSPFOTWXPU-YLJYHZDGSA-N 1 2 539.544 3.813 20 0 KHADLO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000514388492 1066432338 /nfs/dbraw/zinc/43/23/38/1066432338.db2.gz VJGCTQAHRSBXQN-UHFFFAOYSA-N 1 2 537.686 3.700 20 0 KHADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514389525 1066438810 /nfs/dbraw/zinc/43/88/10/1066438810.db2.gz IMUQRNJKXPCABI-UHFFFAOYSA-N 1 2 575.160 3.838 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000514390257 1066435558 /nfs/dbraw/zinc/43/55/58/1066435558.db2.gz DAKOJYIXKBNWNN-UHFFFAOYSA-N 1 2 580.780 3.778 20 0 KHADLO C[C@H](c1nnc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514390536 1066441262 /nfs/dbraw/zinc/44/12/62/1066441262.db2.gz NIOLYSPZLPUINS-GOSISDBHSA-N 1 2 552.122 3.735 20 0 KHADLO C[C@@H](c1nnc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514390537 1066441404 /nfs/dbraw/zinc/44/14/04/1066441404.db2.gz NIOLYSPZLPUINS-SFHVURJKSA-N 1 2 552.122 3.735 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514390539 1066441358 /nfs/dbraw/zinc/44/13/58/1066441358.db2.gz NKACGDUXTUOAFI-UHFFFAOYSA-N 1 2 566.753 3.719 20 0 KHADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)N(Cc1ccco1)CC(F)(F)F ZINC000514390785 1066440932 /nfs/dbraw/zinc/44/09/32/1066440932.db2.gz CBWXYCXHMUIVEQ-UHFFFAOYSA-N 1 2 527.544 3.693 20 0 KHADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)C1 ZINC000514390889 1066440909 /nfs/dbraw/zinc/44/09/09/1066440909.db2.gz APTILRXFHKWEBB-FQEVSTJZSA-N 1 2 547.747 3.639 20 0 KHADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)C1 ZINC000514390889 1066440905 /nfs/dbraw/zinc/44/09/05/1066440905.db2.gz APTILRXFHKWEBB-FQEVSTJZSA-N 1 2 547.747 3.639 20 0 KHADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)C1 ZINC000514390890 1066440875 /nfs/dbraw/zinc/44/08/75/1066440875.db2.gz APTILRXFHKWEBB-HXUWFJFHSA-N 1 2 547.747 3.639 20 0 KHADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)C1 ZINC000514390890 1066440869 /nfs/dbraw/zinc/44/08/69/1066440869.db2.gz APTILRXFHKWEBB-HXUWFJFHSA-N 1 2 547.747 3.639 20 0 KHADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000514391791 1066465000 /nfs/dbraw/zinc/46/50/00/1066465000.db2.gz QQEXOJKCTDOWAI-UHFFFAOYSA-N 1 2 580.608 3.624 20 0 KHADLO CCCCn1c(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nnc1-c1ccc(OC)cc1 ZINC000514391796 1066465010 /nfs/dbraw/zinc/46/50/10/1066465010.db2.gz QQJDWDFZNNTAAB-UHFFFAOYSA-N 1 2 509.676 3.995 20 0 KHADLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000514391881 1066446721 /nfs/dbraw/zinc/44/67/21/1066446721.db2.gz SAOHZFBKPWUTCG-UHFFFAOYSA-N 1 2 543.665 3.574 20 0 KHADLO Cc1cc(=O)n2nc(CSc3nnc(C[NH+]4CCCCC4)n3-c3ccc(OC(F)F)cc3)sc2n1 ZINC000514391895 1066446699 /nfs/dbraw/zinc/44/66/99/1066446699.db2.gz PVTXNAUKVCLCSY-UHFFFAOYSA-N 1 2 519.603 3.920 20 0 KHADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000514392133 1066446203 /nfs/dbraw/zinc/44/62/03/1066446203.db2.gz RHJOLMNFABHCIM-JOCHJYFZSA-N 1 2 507.660 3.703 20 0 KHADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000514392138 1066446256 /nfs/dbraw/zinc/44/62/56/1066446256.db2.gz RHJOLMNFABHCIM-QFIPXVFZSA-N 1 2 507.660 3.703 20 0 KHADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514392461 1066468053 /nfs/dbraw/zinc/46/80/53/1066468053.db2.gz XNIUICMXAKKZBL-UHFFFAOYSA-N 1 2 504.660 3.833 20 0 KHADLO CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000514392557 1066468703 /nfs/dbraw/zinc/46/87/03/1066468703.db2.gz YTWBHBNFWZTVQV-UHFFFAOYSA-N 1 2 545.105 3.717 20 0 KHADLO CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000514392632 1066468134 /nfs/dbraw/zinc/46/81/34/1066468134.db2.gz ZVSWNXLZRHNLEN-UHFFFAOYSA-N 1 2 522.021 3.960 20 0 KHADLO CCCn1c(CCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514393903 1066470726 /nfs/dbraw/zinc/47/07/26/1066470726.db2.gz ATVUXXMFVOCPKO-UHFFFAOYSA-N 1 2 582.771 3.629 20 0 KHADLO O=C(C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1)Nc1ccccc1 ZINC000514394019 1066470791 /nfs/dbraw/zinc/47/07/91/1066470791.db2.gz FRVSMYQYACIKMI-UHFFFAOYSA-N 1 2 587.064 3.979 20 0 KHADLO COc1ccc(C(=O)N2CCC(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)CC2)c2ccccc12 ZINC000514394186 1066469551 /nfs/dbraw/zinc/46/95/51/1066469551.db2.gz IABBZDRAMYKPJX-UHFFFAOYSA-N 1 2 528.653 3.920 20 0 KHADLO C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2Cc2ccco2)C1 ZINC000514394198 1066469534 /nfs/dbraw/zinc/46/95/34/1066469534.db2.gz IWWDILSIDZJJIW-FGZHOGPDSA-N 1 2 538.718 3.642 20 0 KHADLO C[C@@H]1C[C@H](C)CN(c2nnc(SCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2Cc2ccco2)C1 ZINC000514394199 1066469434 /nfs/dbraw/zinc/46/94/34/1066469434.db2.gz IWWDILSIDZJJIW-SZPZYZBQSA-N 1 2 538.718 3.642 20 0 KHADLO C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2Cc2ccco2)C1 ZINC000514394200 1066469313 /nfs/dbraw/zinc/46/93/13/1066469313.db2.gz IWWDILSIDZJJIW-VXKWHMMOSA-N 1 2 538.718 3.642 20 0 KHADLO O=C(CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514394949 1066475645 /nfs/dbraw/zinc/47/56/45/1066475645.db2.gz XKNKSGCDZRTZSB-UHFFFAOYSA-N 1 2 540.715 3.769 20 0 KHADLO C/C=C/c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)c(OC)c1 ZINC000514400904 1066451503 /nfs/dbraw/zinc/45/15/03/1066451503.db2.gz DQCKGLPPFLQVAG-CRTIWDKESA-N 1 2 528.650 3.990 20 0 KHADLO C/C=C\c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)c(OC)c1 ZINC000514400905 1066451701 /nfs/dbraw/zinc/45/17/01/1066451701.db2.gz DQCKGLPPFLQVAG-GYLQWBMOSA-N 1 2 528.650 3.990 20 0 KHADLO C/C=C/c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)c(OC)c1 ZINC000514400906 1066451723 /nfs/dbraw/zinc/45/17/23/1066451723.db2.gz DQCKGLPPFLQVAG-OSFWOZTASA-N 1 2 528.650 3.990 20 0 KHADLO C/C=C\c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)c(OC)c1 ZINC000514400907 1066451596 /nfs/dbraw/zinc/45/15/96/1066451596.db2.gz DQCKGLPPFLQVAG-XXGSHBOYSA-N 1 2 528.650 3.990 20 0 KHADLO CCn1c(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000514401066 1066450323 /nfs/dbraw/zinc/45/03/23/1066450323.db2.gz KXWOCTPCVCXGAK-UHFFFAOYSA-N 1 2 512.701 3.597 20 0 KHADLO CC(C)CCn1c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000514401540 1066455563 /nfs/dbraw/zinc/45/55/63/1066455563.db2.gz YNPMABGHFYWCIK-UHFFFAOYSA-N 1 2 520.678 3.618 20 0 KHADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000514403086 1066457644 /nfs/dbraw/zinc/45/76/44/1066457644.db2.gz HPIJOWCQOSPCHW-UHFFFAOYSA-N 1 2 542.731 3.684 20 0 KHADLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000514403668 1066463913 /nfs/dbraw/zinc/46/39/13/1066463913.db2.gz XWBSYTYKCDEYTD-UHFFFAOYSA-N 1 2 522.675 3.841 20 0 KHADLO CCCCn1c2nc(CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(Cl)cc3)n(C)c2c(=O)[nH]c1=O ZINC000514403846 1066463205 /nfs/dbraw/zinc/46/32/05/1066463205.db2.gz RRXUYLFDLKMKED-AWEZNQCLSA-N 1 2 517.059 3.785 20 0 KHADLO CCCCn1c2nc(CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(Cl)cc3)n(C)c2c(=O)[nH]c1=O ZINC000514403847 1066463026 /nfs/dbraw/zinc/46/30/26/1066463026.db2.gz RRXUYLFDLKMKED-CQSZACIVSA-N 1 2 517.059 3.785 20 0 KHADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000514404332 1066461148 /nfs/dbraw/zinc/46/11/48/1066461148.db2.gz CBNUKZJEIFCXOB-UHFFFAOYSA-N 1 2 614.069 3.925 20 0 KHADLO CCCCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nnc1[C@H](CC)[NH+](C)C ZINC000514404515 1066484454 /nfs/dbraw/zinc/48/44/54/1066484454.db2.gz GIOGGGVLAXVHFU-KRWDZBQOSA-N 1 2 517.121 3.725 20 0 KHADLO CCCCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000514404516 1066484549 /nfs/dbraw/zinc/48/45/49/1066484549.db2.gz GIOGGGVLAXVHFU-QGZVFWFLSA-N 1 2 517.121 3.725 20 0 KHADLO O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514404541 1066485133 /nfs/dbraw/zinc/48/51/33/1066485133.db2.gz HGARKBUDHCBDOT-UHFFFAOYSA-N 1 2 520.703 3.875 20 0 KHADLO CCCCN(C(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514404651 1066484693 /nfs/dbraw/zinc/48/46/93/1066484693.db2.gz HOWDOEFORWHYSR-INIZCTEOSA-N 1 2 563.128 3.723 20 0 KHADLO CCCCN(C(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514404652 1066484627 /nfs/dbraw/zinc/48/46/27/1066484627.db2.gz HOWDOEFORWHYSR-MRXNPFEDSA-N 1 2 563.128 3.723 20 0 KHADLO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514405150 1066481590 /nfs/dbraw/zinc/48/15/90/1066481590.db2.gz QZHUVSVYCMIDCU-FQEVSTJZSA-N 1 2 534.524 3.871 20 0 KHADLO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514405151 1066481497 /nfs/dbraw/zinc/48/14/97/1066481497.db2.gz QZHUVSVYCMIDCU-HXUWFJFHSA-N 1 2 534.524 3.871 20 0 KHADLO CCCn1c(CCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514405736 1066486010 /nfs/dbraw/zinc/48/60/10/1066486010.db2.gz YVMRTIKXXNUUEH-FQEVSTJZSA-N 1 2 574.773 3.727 20 0 KHADLO CCCn1c(CCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514405736 1066486005 /nfs/dbraw/zinc/48/60/05/1066486005.db2.gz YVMRTIKXXNUUEH-FQEVSTJZSA-N 1 2 574.773 3.727 20 0 KHADLO CCCn1c(CCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514405738 1066486052 /nfs/dbraw/zinc/48/60/52/1066486052.db2.gz YVMRTIKXXNUUEH-HXUWFJFHSA-N 1 2 574.773 3.727 20 0 KHADLO CCCn1c(CCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514405738 1066486045 /nfs/dbraw/zinc/48/60/45/1066486045.db2.gz YVMRTIKXXNUUEH-HXUWFJFHSA-N 1 2 574.773 3.727 20 0 KHADLO CCn1cc(NC(=S)C(C(=O)c2ccc(O)c(C(N)=O)c2)[n+]2ccc(Cc3ccccc3)cc2)cn1 ZINC000726178163 1066859561 /nfs/dbraw/zinc/85/95/61/1066859561.db2.gz GSSYBBZBVOWBOT-UHFFFAOYSA-O 1 2 500.604 3.909 20 0 KHADLO CCc1cc[n+](C(C(=O)c2ccc(O)c(C(N)=O)c2)C(=S)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000920396404 1066501132 /nfs/dbraw/zinc/50/11/32/1066501132.db2.gz JUZLAZXWKPTXJE-UHFFFAOYSA-O 1 2 500.503 3.986 20 0 KHADLO CCc1cccc[n+]1C(C(=O)c1ccc(O)c(C(N)=O)c1)C(=S)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000920397928 1066501024 /nfs/dbraw/zinc/50/10/24/1066501024.db2.gz ZSRPLMGIGFKYQJ-UHFFFAOYSA-O 1 2 500.503 3.986 20 0 KHADLO O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)C1 ZINC001139446412 1066860200 /nfs/dbraw/zinc/86/02/00/1066860200.db2.gz CUDYWMOOUKTWHM-NRFANRHFSA-N 1 2 500.006 3.823 20 0 KHADLO O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)C1 ZINC001139446412 1066860190 /nfs/dbraw/zinc/86/01/90/1066860190.db2.gz CUDYWMOOUKTWHM-NRFANRHFSA-N 1 2 500.006 3.823 20 0 KHADLO O=c1cccnn1C[C@H]1Cn2ccnc2C[N@@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)C1 ZINC001139446413 1066860424 /nfs/dbraw/zinc/86/04/24/1066860424.db2.gz CUDYWMOOUKTWHM-OAQYLSRUSA-N 1 2 500.006 3.823 20 0 KHADLO O=c1cccnn1C[C@H]1Cn2ccnc2C[N@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)C1 ZINC001139446413 1066860416 /nfs/dbraw/zinc/86/04/16/1066860416.db2.gz CUDYWMOOUKTWHM-OAQYLSRUSA-N 1 2 500.006 3.823 20 0 KHADLO Cc1ccc([C@H](C(=O)Nc2nc(Cl)nc3[nH]cnc32)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186138279 1066532051 /nfs/dbraw/zinc/53/20/51/1066532051.db2.gz NOMDJNKANVJDBX-GOSISDBHSA-N 1 2 500.003 3.984 20 0 KHADLO Cc1ccc([C@@H](C(=O)Nc2nc(Cl)nc3[nH]cnc32)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186138280 1066531998 /nfs/dbraw/zinc/53/19/98/1066531998.db2.gz NOMDJNKANVJDBX-SFHVURJKSA-N 1 2 500.003 3.984 20 0 KHADLO Cc1ccc([C@H](C(=O)Nc2nc3n[nH]cc3c(Cl)n2)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186139507 1066532114 /nfs/dbraw/zinc/53/21/14/1066532114.db2.gz YRHCBDFDTWGOJU-GOSISDBHSA-N 1 2 500.003 3.984 20 0 KHADLO Cc1ccc([C@@H](C(=O)Nc2nc3n[nH]cc3c(Cl)n2)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186139510 1066532246 /nfs/dbraw/zinc/53/22/46/1066532246.db2.gz YRHCBDFDTWGOJU-SFHVURJKSA-N 1 2 500.003 3.984 20 0 KHADLO C[C@H]1CCc2c(C(=O)NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C3c4ccccc4-c4ccccc43)[nH]nc21 ZINC001220741380 1066862908 /nfs/dbraw/zinc/86/29/08/1066862908.db2.gz NBVXYNRKEAKVDL-AXNJZRPJSA-N 1 2 500.599 3.610 20 0 KHADLO C[C@@H]1CCc2c(C(=O)NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C3c4ccccc4-c4ccccc43)[nH]nc21 ZINC001220741381 1066863135 /nfs/dbraw/zinc/86/31/35/1066863135.db2.gz NBVXYNRKEAKVDL-BZJPVZJDSA-N 1 2 500.599 3.610 20 0 KHADLO C[C@H]1CCc2c1n[nH]c2C(=O)NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220741382 1066863058 /nfs/dbraw/zinc/86/30/58/1066863058.db2.gz NBVXYNRKEAKVDL-IYRXFJASSA-N 1 2 500.599 3.610 20 0 KHADLO C[C@@H]1CCc2c1n[nH]c2C(=O)NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220741383 1066862824 /nfs/dbraw/zinc/86/28/24/1066862824.db2.gz NBVXYNRKEAKVDL-JBKUBBTJSA-N 1 2 500.599 3.610 20 0 KHADLO