smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1OC ZINC000013008689 132342133 /nfs/dbraw/zinc/34/21/33/132342133.db2.gz CRUHFVLXAZGARI-FQEVSTJZSA-N 1 0 440.544 2.444 50 10 IECARO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000022589340 523706036 /nfs/dbraw/zinc/70/60/36/523706036.db2.gz ZEXPTSFVEMDMNR-NRFANRHFSA-N 1 0 426.561 2.488 50 10 IECARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809645 523968054 /nfs/dbraw/zinc/96/80/54/523968054.db2.gz AYWDENMYRVZQHL-HSZRJFAPSA-N 1 0 437.588 2.358 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022734249 524576052 /nfs/dbraw/zinc/57/60/52/524576052.db2.gz KIOQCSFAMAMCMN-HSZRJFAPSA-N 1 0 435.572 2.031 50 10 IECARO COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589436 524931842 /nfs/dbraw/zinc/93/18/42/524931842.db2.gz JCPKERBAKKIGCC-HSZRJFAPSA-N 1 0 426.561 2.245 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734229 525005061 /nfs/dbraw/zinc/00/50/61/525005061.db2.gz KCJFKFIFOXFCQV-QHCPKHFHSA-N 1 0 435.572 2.031 50 10 IECARO COc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)c1O ZINC000011995588 556383742 /nfs/dbraw/zinc/38/37/42/556383742.db2.gz QIDPUSGLKFZPLU-AWEZNQCLSA-N 1 0 425.489 2.443 50 10 IECARO COc1ccc(N2CCN(c3cc(N4CC[NH+](CCO)CC4)ccc3[N+](=O)[O-])CC2)cc1 ZINC000019634223 556834032 /nfs/dbraw/zinc/83/40/32/556834032.db2.gz SRZZPNVYHRBZEG-UHFFFAOYSA-N 1 0 441.532 2.044 50 10 IECARO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)ccc1F ZINC000023080644 556998155 /nfs/dbraw/zinc/99/81/55/556998155.db2.gz SUMDKFOZNJHOMZ-JOCHJYFZSA-N 1 0 434.581 2.467 50 10 IECARO CN(C)S(=O)(=O)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000026648286 557246209 /nfs/dbraw/zinc/24/62/09/557246209.db2.gz BCPRUXUDQDHITR-UHFFFAOYSA-N 1 0 428.352 2.232 50 10 IECARO C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[NH+](CCO)CC1 ZINC000000857597 557831577 /nfs/dbraw/zinc/83/15/77/557831577.db2.gz ORAVEJHFPILIFT-NTCAYCPXSA-N 1 0 439.463 2.445 50 10 IECARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000009135474 132227407 /nfs/dbraw/zinc/22/74/07/132227407.db2.gz MMLSXTYUJXWXSN-QFIPXVFZSA-N 1 0 437.544 2.385 50 10 IECARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(OC)cc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009290938 132312743 /nfs/dbraw/zinc/31/27/43/132312743.db2.gz HVJQRFXAKCJLPG-RTWAWAEBSA-N 1 0 436.512 2.224 50 10 IECARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000013008520 132341909 /nfs/dbraw/zinc/34/19/09/132341909.db2.gz WNKKNNVNRVHDTN-OAQYLSRUSA-N 1 0 440.544 2.444 50 10 IECARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022809663 524269052 /nfs/dbraw/zinc/26/90/52/524269052.db2.gz IMPOJOMDOJZGHE-QFIPXVFZSA-N 1 0 437.588 2.413 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734989 525005009 /nfs/dbraw/zinc/00/50/09/525005009.db2.gz NRBDGGCHTMUFRX-DEOSSOPVSA-N 1 0 449.599 2.421 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734232 525007661 /nfs/dbraw/zinc/00/76/61/525007661.db2.gz KCJFKFIFOXFCQV-HSZRJFAPSA-N 1 0 435.572 2.031 50 10 IECARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)s1 ZINC000022735876 525573164 /nfs/dbraw/zinc/57/31/64/525573164.db2.gz HFDXKYXUKPKHDB-FQEVSTJZSA-N 1 0 434.631 2.316 50 10 IECARO COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589117 526217578 /nfs/dbraw/zinc/21/75/78/526217578.db2.gz YVHAZSOGXFKUJA-HXUWFJFHSA-N 1 0 426.561 2.488 50 10 IECARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000011790925 556355749 /nfs/dbraw/zinc/35/57/49/556355749.db2.gz MKJJXHDMQORVQG-DUMMIQTOSA-N 1 0 426.565 2.129 50 10 IECARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(O)c1 ZINC000014992086 556475452 /nfs/dbraw/zinc/47/54/52/556475452.db2.gz RHSCQDCVBLCBAH-UHFFFAOYSA-N 1 0 439.491 2.049 50 10 IECARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000015006865 556481906 /nfs/dbraw/zinc/48/19/06/556481906.db2.gz LTAZHSIFGCKMMG-OAQYLSRUSA-N 1 0 448.637 2.429 50 10 IECARO CC(C)N1CCCc2cc(C[NH+]3CCC(n4cc(C(=O)NCCCO)nn4)CC3)ccc21 ZINC000045368300 563133222 /nfs/dbraw/zinc/13/32/22/563133222.db2.gz QJMAXEPDQJSDRX-UHFFFAOYSA-N 1 0 440.592 2.388 50 10 IECARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016032985 568867667 /nfs/dbraw/zinc/86/76/67/568867667.db2.gz LPHRZKXEPHHPFN-DNBVQBCISA-N 1 0 447.491 2.004 50 10 biogenic IECARO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000096310531 569392601 /nfs/dbraw/zinc/39/26/01/569392601.db2.gz FGUOUDAFGDXHKU-HXUWFJFHSA-N 1 0 436.604 2.496 50 10 IECARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c(OC)c1 ZINC000008963900 569491046 /nfs/dbraw/zinc/49/10/46/569491046.db2.gz CZOODTWFDGIWDQ-FQEVSTJZSA-N 1 0 426.517 2.054 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)[NH+]2CCCC2)cc1 ZINC000010188279 569578840 /nfs/dbraw/zinc/57/88/40/569578840.db2.gz PAGIVXWWCYQCMB-FQEVSTJZSA-N 1 0 438.528 2.051 50 10 IECARO CC(NCCN1CC[NH2+]CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000022941024 518476085 /nfs/dbraw/zinc/47/60/85/518476085.db2.gz PZFTZJFWUXQIBE-QINSGFPZSA-N 1 0 438.479 2.330 50 10 IECARO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000021754727 521204236 /nfs/dbraw/zinc/20/42/36/521204236.db2.gz GXCVAAPZMXCNEF-HSZRJFAPSA-N 1 0 446.617 2.418 50 10 IECARO CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000012112398 521509345 /nfs/dbraw/zinc/50/93/45/521509345.db2.gz UGIVQNAZLKSDNG-VBKFSLOCSA-N 1 0 443.598 2.366 50 10 IECARO CCOC(=O)c1noc2nc(C)nc(NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)c12 ZINC000021539098 521606830 /nfs/dbraw/zinc/60/68/30/521606830.db2.gz UFOJDPRTYODETD-UHFFFAOYSA-N 1 0 440.504 2.346 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022809603 522240782 /nfs/dbraw/zinc/24/07/82/522240782.db2.gz RCFUDMLEMIAOHP-OAQYLSRUSA-N 1 0 443.979 2.449 50 10 IECARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022735216 523919838 /nfs/dbraw/zinc/91/98/38/523919838.db2.gz FZSCJZHLWNMEEU-HSZRJFAPSA-N 1 0 435.572 2.112 50 10 IECARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735583 523921598 /nfs/dbraw/zinc/92/15/98/523921598.db2.gz UGHQNKAPHRVXNE-HSZRJFAPSA-N 1 0 446.592 2.475 50 10 IECARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809637 523966643 /nfs/dbraw/zinc/96/66/43/523966643.db2.gz AYWDENMYRVZQHL-QHCPKHFHSA-N 1 0 437.588 2.358 50 10 IECARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022822513 524417189 /nfs/dbraw/zinc/41/71/89/524417189.db2.gz ZUFAKALCLRMBDB-HSZRJFAPSA-N 1 0 437.588 2.413 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1C ZINC000022809658 524576413 /nfs/dbraw/zinc/57/64/13/524576413.db2.gz WLHYVTLGHPGKNY-HSZRJFAPSA-N 1 0 437.588 2.413 50 10 IECARO O=C(C[NH+]1CCCCC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000012787931 526737520 /nfs/dbraw/zinc/73/75/20/526737520.db2.gz WQCZFCWTVWTQEB-GZTJUZNOSA-N 1 0 433.555 2.219 50 10 IECARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(OC)cc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009290942 535501751 /nfs/dbraw/zinc/50/17/51/535501751.db2.gz HVJQRFXAKCJLPG-LEWJYISDSA-N 1 0 436.512 2.224 50 10 IECARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000013008523 536833779 /nfs/dbraw/zinc/83/37/79/536833779.db2.gz WNKKNNVNRVHDTN-NRFANRHFSA-N 1 0 440.544 2.444 50 10 IECARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011912997 556375934 /nfs/dbraw/zinc/37/59/34/556375934.db2.gz PKCOZYASWUNTKN-SFHVURJKSA-N 1 0 426.565 2.150 50 10 IECARO CCOC(=O)N1CCCN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000058203150 556771648 /nfs/dbraw/zinc/77/16/48/556771648.db2.gz HXBAWSVDIOMFPO-UHFFFAOYSA-N 1 0 447.580 2.081 50 10 IECARO C[NH+]1CCN(c2ccc(CNC(=O)C3CCN(c4nnc5ccccn54)CC3)cc2)CC1 ZINC000065312450 569133844 /nfs/dbraw/zinc/13/38/44/569133844.db2.gz HPEICELUUMIDFX-UHFFFAOYSA-N 1 0 433.560 2.014 50 10 IECARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c(OC)c1 ZINC000008963899 569491077 /nfs/dbraw/zinc/49/10/77/569491077.db2.gz CZOODTWFDGIWDQ-HXUWFJFHSA-N 1 0 426.517 2.054 50 10 IECARO CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002374022 132253332 /nfs/dbraw/zinc/25/33/32/132253332.db2.gz MHLRALGXAOLCLQ-PEZBUJJGSA-N 1 0 443.598 2.448 50 10 IECARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735848 523998043 /nfs/dbraw/zinc/99/80/43/523998043.db2.gz SNCNNLUFNUANTK-JOCHJYFZSA-N 1 0 432.565 2.085 50 10 IECARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589409 524661496 /nfs/dbraw/zinc/66/14/96/524661496.db2.gz UWRYKZXHVJDYLO-NRFANRHFSA-N 1 0 426.561 2.245 50 10 IECARO COc1cccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1O ZINC000012184998 525935679 /nfs/dbraw/zinc/93/56/79/525935679.db2.gz PVKLVODKMPDDLB-SFHVURJKSA-N 1 0 428.533 2.386 50 10 IECARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2F)N2CC[NH+](C)CC2)cc1 ZINC000023080628 556998146 /nfs/dbraw/zinc/99/81/46/556998146.db2.gz SSJYHYWTMZWEHR-FQEVSTJZSA-N 1 0 438.544 2.298 50 10 IECARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1 ZINC000064251746 563152442 /nfs/dbraw/zinc/15/24/42/563152442.db2.gz MKAZVHXVFNDIMU-DTQAZKPQSA-N 1 0 443.598 2.446 50 10 IECARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1 ZINC000008963842 569491091 /nfs/dbraw/zinc/49/10/91/569491091.db2.gz WCWKOVZVDHFEGT-FQEVSTJZSA-N 1 0 426.517 2.054 50 10 IECARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000009135475 132227460 /nfs/dbraw/zinc/22/74/60/132227460.db2.gz MMLSXTYUJXWXSN-JOCHJYFZSA-N 1 0 437.544 2.385 50 10 IECARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 ZINC000001480013 132245902 /nfs/dbraw/zinc/24/59/02/132245902.db2.gz MKAZVHXVFNDIMU-SSZFMOIBSA-N 1 0 443.598 2.446 50 10 IECARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022735559 523921157 /nfs/dbraw/zinc/92/11/57/523921157.db2.gz FOOFIRYESQVAKL-JOCHJYFZSA-N 1 0 446.592 2.475 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1C ZINC000022734480 524576262 /nfs/dbraw/zinc/57/62/62/524576262.db2.gz UWHUACQEPKDHPJ-XMMPIXPASA-N 1 0 449.599 2.339 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022734529 525006553 /nfs/dbraw/zinc/00/65/53/525006553.db2.gz RJLGGJPGIWMUOL-XMMPIXPASA-N 1 0 449.599 2.339 50 10 IECARO COc1cccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1O ZINC000012185000 525935210 /nfs/dbraw/zinc/93/52/10/525935210.db2.gz PVKLVODKMPDDLB-GOSISDBHSA-N 1 0 428.533 2.386 50 10 IECARO CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000001246983 535426008 /nfs/dbraw/zinc/42/60/08/535426008.db2.gz YFPKYYLWFFKOFW-SSZFMOIBSA-N 1 0 443.598 2.366 50 10 IECARO COc1ccc(N2CCN(c3nnc(C(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc1 ZINC000034838535 555914832 /nfs/dbraw/zinc/91/48/32/555914832.db2.gz WBFAODYTGALFAO-UHFFFAOYSA-N 1 0 434.544 2.256 50 10 IECARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1OC ZINC000008963952 569491150 /nfs/dbraw/zinc/49/11/50/569491150.db2.gz NCPCPMQLCUEKRZ-IBGZPJMESA-N 1 0 426.517 2.054 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022809596 522247093 /nfs/dbraw/zinc/24/70/93/522247093.db2.gz RCFUDMLEMIAOHP-NRFANRHFSA-N 1 0 443.979 2.449 50 10 IECARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022735556 523917963 /nfs/dbraw/zinc/91/79/63/523917963.db2.gz FOOFIRYESQVAKL-QFIPXVFZSA-N 1 0 446.592 2.475 50 10 IECARO CN1CCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022733825 523999442 /nfs/dbraw/zinc/99/94/42/523999442.db2.gz FGEOMBWYYLINFH-QFIPXVFZSA-N 1 0 426.536 2.302 50 10 IECARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000009135472 534755262 /nfs/dbraw/zinc/75/52/62/534755262.db2.gz NLSZXQZEDYBJNM-JOCHJYFZSA-N 1 0 437.544 2.385 50 10 IECARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022809728 524129721 /nfs/dbraw/zinc/12/97/21/524129721.db2.gz BRAWNIJERZSXNC-QHCPKHFHSA-N 1 0 437.588 2.413 50 10 IECARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734489 524268342 /nfs/dbraw/zinc/26/83/42/524268342.db2.gz PGWVWEUQAWFVMY-QHCPKHFHSA-N 1 0 449.599 2.339 50 10 IECARO COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022733840 524931161 /nfs/dbraw/zinc/93/11/61/524931161.db2.gz GARMNXHRUUCBJL-DEOSSOPVSA-N 1 0 438.572 2.171 50 10 IECARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)s1 ZINC000022735879 525576209 /nfs/dbraw/zinc/57/62/09/525576209.db2.gz HFDXKYXUKPKHDB-HXUWFJFHSA-N 1 0 434.631 2.316 50 10 IECARO COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022589420 526228489 /nfs/dbraw/zinc/22/84/89/526228489.db2.gz XOJVLDYBTKUQGT-QHCPKHFHSA-N 1 0 426.561 2.245 50 10 IECARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(N(C)C)cc2)CC3)cc1 ZINC000015003617 556480934 /nfs/dbraw/zinc/48/09/34/556480934.db2.gz XZQZYYIQBYVVDS-UHFFFAOYSA-N 1 0 448.571 2.384 50 10 IECARO COc1ccc(N2CC[NH+](C[C@H](O)COCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000020109793 556984826 /nfs/dbraw/zinc/98/48/26/556984826.db2.gz GFHFDKJVAIDBND-FQEVSTJZSA-N 1 0 446.544 2.421 50 10 IECARO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)ccc1F ZINC000023080645 556998125 /nfs/dbraw/zinc/99/81/25/556998125.db2.gz SUMDKFOZNJHOMZ-QFIPXVFZSA-N 1 0 434.581 2.467 50 10 IECARO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000023080640 556998158 /nfs/dbraw/zinc/99/81/58/556998158.db2.gz SBZPHWZDJUAEIK-OAQYLSRUSA-N 1 0 434.581 2.467 50 10 IECARO C[NH2+]Cc1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C ZINC000013113426 562984511 /nfs/dbraw/zinc/98/45/11/562984511.db2.gz KNLGJLRHNRSSRY-UHFFFAOYSA-N 1 0 432.590 2.435 50 10 IECARO COc1ccc(O)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)c1 ZINC000299769580 568756560 /nfs/dbraw/zinc/75/65/60/568756560.db2.gz QOVHRZZPRAIJNR-AWEZNQCLSA-N 1 0 425.489 2.443 50 10 IECARO CCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(C)CC2)SC1=S ZINC000027016700 568937907 /nfs/dbraw/zinc/93/79/07/568937907.db2.gz AXPDACFYRIGESK-JQIJEIRASA-N 1 0 443.598 2.448 50 10 IECARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964084 569491222 /nfs/dbraw/zinc/49/12/22/569491222.db2.gz GMWJBOIHPIOXIM-QHCPKHFHSA-N 1 0 436.556 2.257 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)[NH+]2CCCC2)cc1 ZINC000010188278 569578829 /nfs/dbraw/zinc/57/88/29/569578829.db2.gz PAGIVXWWCYQCMB-HXUWFJFHSA-N 1 0 438.528 2.051 50 10 IECARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000010188289 569578878 /nfs/dbraw/zinc/57/88/78/569578878.db2.gz SYAXIFZQYNQQGF-NRFANRHFSA-N 1 0 438.528 2.431 50 10 IECARO CC(C)N1CCCc2cc(C[NH+]3CCC(n4cc(C(=O)N(C)CCO)nn4)CC3)ccc21 ZINC000012217492 519678566 /nfs/dbraw/zinc/67/85/66/519678566.db2.gz FGMXDPCSHYLKCF-UHFFFAOYSA-N 1 0 440.592 2.341 50 10 IECARO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022809810 521857188 /nfs/dbraw/zinc/85/71/88/521857188.db2.gz GBJQNTRAQSCIAJ-HSZRJFAPSA-N 1 0 437.588 2.358 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809589 522241600 /nfs/dbraw/zinc/24/16/00/522241600.db2.gz FEAUUUGLLLSKCC-OAQYLSRUSA-N 1 0 443.979 2.449 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022809523 522243054 /nfs/dbraw/zinc/24/30/54/522243054.db2.gz RMJADDRMHIIEFV-HSZRJFAPSA-N 1 0 441.620 2.164 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022809691 522248434 /nfs/dbraw/zinc/24/84/34/522248434.db2.gz TZAIRKSRPKIYCY-NRFANRHFSA-N 1 0 443.979 2.449 50 10 IECARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022734252 524415990 /nfs/dbraw/zinc/41/59/90/524415990.db2.gz BCEADCDCIJHXAZ-DEOSSOPVSA-N 1 0 449.599 2.339 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022734246 524576823 /nfs/dbraw/zinc/57/68/23/524576823.db2.gz KIOQCSFAMAMCMN-QHCPKHFHSA-N 1 0 435.572 2.031 50 10 IECARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022733835 524662957 /nfs/dbraw/zinc/66/29/57/524662957.db2.gz GLNWJRPZONRYTG-QFIPXVFZSA-N 1 0 438.572 2.171 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022734535 525006889 /nfs/dbraw/zinc/00/68/89/525006889.db2.gz UTCQSURPUDBCSH-XMMPIXPASA-N 1 0 449.599 2.339 50 10 IECARO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1OC ZINC000022589122 525818454 /nfs/dbraw/zinc/81/84/54/525818454.db2.gz GQESYQMZITWDOF-NRFANRHFSA-N 1 0 426.561 2.488 50 10 IECARO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1OC ZINC000022589128 525821192 /nfs/dbraw/zinc/82/11/92/525821192.db2.gz GQESYQMZITWDOF-OAQYLSRUSA-N 1 0 426.561 2.488 50 10 IECARO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016024888 526195812 /nfs/dbraw/zinc/19/58/12/526195812.db2.gz HCNRHKZZSADFHD-HOKASXAUSA-N 1 0 449.507 2.168 50 10 IECARO COc1ccc(N2CC[NH+](C[C@@H](O)COCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000020109792 556984804 /nfs/dbraw/zinc/98/48/04/556984804.db2.gz GFHFDKJVAIDBND-HXUWFJFHSA-N 1 0 446.544 2.421 50 10 IECARO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000023080642 556998167 /nfs/dbraw/zinc/99/81/67/556998167.db2.gz SBZPHWZDJUAEIK-NRFANRHFSA-N 1 0 434.581 2.467 50 10 IECARO CCn1c2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2n2nccc2c1=O ZINC000065270833 569127626 /nfs/dbraw/zinc/12/76/26/569127626.db2.gz FYNMFHIZUSPUCP-UHFFFAOYSA-N 1 0 444.539 2.351 50 10 IECARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1 ZINC000020453236 520896559 /nfs/dbraw/zinc/89/65/59/520896559.db2.gz TXGFTGVWOUKYKZ-NRFANRHFSA-N 1 0 440.592 2.020 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022809783 522241134 /nfs/dbraw/zinc/24/11/34/522241134.db2.gz REJOJFRPJFIACH-OAQYLSRUSA-N 1 0 445.514 2.074 50 10 IECARO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000022589334 523707975 /nfs/dbraw/zinc/70/79/75/523707975.db2.gz HEUMPHDTBWQXAR-JOCHJYFZSA-N 1 0 426.561 2.488 50 10 IECARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734427 523967259 /nfs/dbraw/zinc/96/72/59/523967259.db2.gz RCMVBEQAAAWJRM-DEOSSOPVSA-N 1 0 449.599 2.285 50 10 IECARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000009135471 534754757 /nfs/dbraw/zinc/75/47/57/534754757.db2.gz NLSZXQZEDYBJNM-QFIPXVFZSA-N 1 0 437.544 2.385 50 10 IECARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022734544 524130587 /nfs/dbraw/zinc/13/05/87/524130587.db2.gz SXWNIAZQZTWTKB-DEOSSOPVSA-N 1 0 449.599 2.339 50 10 IECARO COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022733837 524931881 /nfs/dbraw/zinc/93/18/81/524931881.db2.gz GARMNXHRUUCBJL-XMMPIXPASA-N 1 0 438.572 2.171 50 10 IECARO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734521 525228095 /nfs/dbraw/zinc/22/80/95/525228095.db2.gz XWTXKBHFAOWYDK-QHCPKHFHSA-N 1 0 435.572 2.031 50 10 IECARO CCOc1cccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1O ZINC000014995144 556477284 /nfs/dbraw/zinc/47/72/84/556477284.db2.gz KIQPNLWTNULCOX-UHFFFAOYSA-N 1 0 425.489 2.006 50 10 IECARO CCOC(=O)c1c(NC(=O)C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])sc2c1CCCC2 ZINC000022997113 556839230 /nfs/dbraw/zinc/83/92/30/556839230.db2.gz XLPASWCYGGXMGC-CQSZACIVSA-N 1 0 425.551 2.127 50 10 IECARO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067602029 556843344 /nfs/dbraw/zinc/84/33/44/556843344.db2.gz XVZNPYROEBEPOL-UHFFFAOYSA-N 1 0 430.574 2.154 50 10 IECARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000023080589 556997806 /nfs/dbraw/zinc/99/78/06/556997806.db2.gz CZCUICRGGNMITI-QFIPXVFZSA-N 1 0 432.590 2.028 50 10 IECARO CC(C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(C)CC2)SC1=S ZINC000027016705 568938001 /nfs/dbraw/zinc/93/80/01/568938001.db2.gz SQVMQQFSYKLDLD-NTCAYCPXSA-N 1 0 429.571 2.056 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000010188284 569578888 /nfs/dbraw/zinc/57/88/88/569578888.db2.gz BXORLRYBRSZSKR-HXUWFJFHSA-N 1 0 438.528 2.416 50 10 IECARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 ZINC000020453238 520896391 /nfs/dbraw/zinc/89/63/91/520896391.db2.gz TXGFTGVWOUKYKZ-OAQYLSRUSA-N 1 0 440.592 2.020 50 10 IECARO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000022589346 523707703 /nfs/dbraw/zinc/70/77/03/523707703.db2.gz ZEXPTSFVEMDMNR-OAQYLSRUSA-N 1 0 426.561 2.488 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1C ZINC000022809651 524574247 /nfs/dbraw/zinc/57/42/47/524574247.db2.gz WLHYVTLGHPGKNY-QHCPKHFHSA-N 1 0 437.588 2.413 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022809709 525006932 /nfs/dbraw/zinc/00/69/32/525006932.db2.gz NGNVUXQGYLMNLG-HSZRJFAPSA-N 1 0 437.588 2.413 50 10 IECARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000004669409 536695655 /nfs/dbraw/zinc/69/56/55/536695655.db2.gz OWZXCJUQURHKOZ-IBGZPJMESA-N 1 0 428.577 2.115 50 10 IECARO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000067604487 556843710 /nfs/dbraw/zinc/84/37/10/556843710.db2.gz IHZSPMLEIHIFAC-UHFFFAOYSA-N 1 0 428.558 2.044 50 10 IECARO CN(C)CNC(=O)c1c(C[NH+](C)C)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085393716 568817092 /nfs/dbraw/zinc/81/70/92/568817092.db2.gz SHQMTYVOKYPSFE-UHFFFAOYSA-N 1 0 438.576 2.318 50 10 IECARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3Cc4ccccc4N3C(C)=O)CC2)cc1 ZINC000015773245 568823020 /nfs/dbraw/zinc/82/30/20/568823020.db2.gz RYNLTMVGXPNYQZ-DEOSSOPVSA-N 1 0 436.556 2.301 50 10 IECARO CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCN2CCOCC2)cc1 ZINC000027017449 568937884 /nfs/dbraw/zinc/93/78/84/568937884.db2.gz DRYCIULIVDEOQZ-FCDQGJHFSA-N 1 0 436.556 2.362 50 10 IECARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1 ZINC000008963841 569491073 /nfs/dbraw/zinc/49/10/73/569491073.db2.gz WCWKOVZVDHFEGT-HXUWFJFHSA-N 1 0 426.517 2.054 50 10 IECARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21 ZINC000008964067 569491152 /nfs/dbraw/zinc/49/11/52/569491152.db2.gz LYNZBSKDSJOPMZ-HXUWFJFHSA-N 1 0 436.512 2.299 50 10 IECARO CCOc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c1O ZINC000020453234 521344883 /nfs/dbraw/zinc/34/48/83/521344883.db2.gz JOWCUKFEILWGAT-INIZCTEOSA-N 1 0 443.548 2.045 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022809697 522241952 /nfs/dbraw/zinc/24/19/52/522241952.db2.gz TZAIRKSRPKIYCY-OAQYLSRUSA-N 1 0 443.979 2.449 50 10 IECARO COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022589061 522853468 /nfs/dbraw/zinc/85/34/68/522853468.db2.gz AITAFHYTBUSLGL-HSZRJFAPSA-N 1 0 426.561 2.488 50 10 IECARO CN1CCc2cc([C@H](CNS(=O)(=O)c3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735845 523999173 /nfs/dbraw/zinc/99/91/73/523999173.db2.gz SNCNNLUFNUANTK-QFIPXVFZSA-N 1 0 432.565 2.085 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022734526 525004575 /nfs/dbraw/zinc/00/45/75/525004575.db2.gz RJLGGJPGIWMUOL-DEOSSOPVSA-N 1 0 449.599 2.339 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1F ZINC000022809797 525006385 /nfs/dbraw/zinc/00/63/85/525006385.db2.gz QYNDTVAWFJQHDL-JOCHJYFZSA-N 1 0 441.551 2.244 50 10 IECARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734524 525228372 /nfs/dbraw/zinc/22/83/72/525228372.db2.gz XWTXKBHFAOWYDK-HSZRJFAPSA-N 1 0 435.572 2.031 50 10 IECARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+](C)C)ccc21 ZINC000013008598 536125195 /nfs/dbraw/zinc/12/51/95/536125195.db2.gz AVUUIZKXBBOTHX-FQEVSTJZSA-N 1 0 438.528 2.198 50 10 IECARO Cc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016024890 556576239 /nfs/dbraw/zinc/57/62/39/556576239.db2.gz HCNRHKZZSADFHD-LZISPXOZSA-N 1 0 449.507 2.168 50 10 IECARO CCN(c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000095482561 569374393 /nfs/dbraw/zinc/37/43/93/569374393.db2.gz OJUFWZTZCGNTRW-UHFFFAOYSA-N 1 0 430.574 2.154 50 10 IECARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21 ZINC000008964068 569491158 /nfs/dbraw/zinc/49/11/58/569491158.db2.gz LYNZBSKDSJOPMZ-FQEVSTJZSA-N 1 0 436.512 2.299 50 10 IECARO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000022589328 523705683 /nfs/dbraw/zinc/70/56/83/523705683.db2.gz HEUMPHDTBWQXAR-QFIPXVFZSA-N 1 0 426.561 2.488 50 10 IECARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022735214 523918551 /nfs/dbraw/zinc/91/85/51/523918551.db2.gz FZSCJZHLWNMEEU-QHCPKHFHSA-N 1 0 435.572 2.112 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735014 524577110 /nfs/dbraw/zinc/57/71/10/524577110.db2.gz XSEUZXIFBSVXGP-XMMPIXPASA-N 1 0 449.599 2.421 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734991 525006305 /nfs/dbraw/zinc/00/63/05/525006305.db2.gz NRBDGGCHTMUFRX-XMMPIXPASA-N 1 0 449.599 2.421 50 10 IECARO CCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000001147357 535425545 /nfs/dbraw/zinc/42/55/45/535425545.db2.gz UGIVQNAZLKSDNG-FOWTUZBSSA-N 1 0 443.598 2.366 50 10 IECARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)c1O ZINC000011995587 556383779 /nfs/dbraw/zinc/38/37/79/556383779.db2.gz QIDPUSGLKFZPLU-CQSZACIVSA-N 1 0 425.489 2.443 50 10 IECARO O=C(CN1CCOCC1)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000014197206 556388777 /nfs/dbraw/zinc/38/87/77/556388777.db2.gz OQQLWKWCLZHTPA-UHFFFAOYSA-N 1 0 448.361 2.284 50 10 IECARO COc1ccc(N2CCN(C(=O)CC[NH+]3CCN(Cc4cccc(O)c4)CC3)CC2)cc1 ZINC000072308311 556565824 /nfs/dbraw/zinc/56/58/24/556565824.db2.gz QZRKXHXZTKBYKR-UHFFFAOYSA-N 1 0 438.572 2.257 50 10 IECARO Cc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016024886 556576268 /nfs/dbraw/zinc/57/62/68/556576268.db2.gz HCNRHKZZSADFHD-KHTISZTLSA-N 1 0 449.507 2.168 50 10 IECARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000023080587 556997811 /nfs/dbraw/zinc/99/78/11/556997811.db2.gz CZCUICRGGNMITI-JOCHJYFZSA-N 1 0 432.590 2.028 50 10 IECARO C[NH+]1CCN(c2ccc(CNC(=O)CN3CCN(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000097985406 556999976 /nfs/dbraw/zinc/99/99/76/556999976.db2.gz SAWCVJADMWENFN-UHFFFAOYSA-N 1 0 439.535 2.132 50 10 IECARO O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000024113468 557137737 /nfs/dbraw/zinc/13/77/37/557137737.db2.gz GJCGVGTXFUSEAV-UHFFFAOYSA-N 1 0 430.404 2.045 50 10 IECARO CCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033579203 557339424 /nfs/dbraw/zinc/33/94/24/557339424.db2.gz MHLRALGXAOLCLQ-JQIJEIRASA-N 1 0 443.598 2.448 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CC[NH+](C)CC2)cc1 ZINC000022809624 522246948 /nfs/dbraw/zinc/24/69/48/522246948.db2.gz RSEGFXVTGFRQPI-NRFANRHFSA-N 1 0 445.514 2.074 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022809517 522247270 /nfs/dbraw/zinc/24/72/70/522247270.db2.gz RMJADDRMHIIEFV-QHCPKHFHSA-N 1 0 441.620 2.164 50 10 IECARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022589056 522851535 /nfs/dbraw/zinc/85/15/35/522851535.db2.gz AITAFHYTBUSLGL-QHCPKHFHSA-N 1 0 426.561 2.488 50 10 IECARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1C1Cc2ccccc2C1 ZINC000020782090 523912898 /nfs/dbraw/zinc/91/28/98/523912898.db2.gz OQUZXBPENAQUST-VWNXMTODSA-N 1 0 437.584 2.466 50 10 IECARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022809670 524268235 /nfs/dbraw/zinc/26/82/35/524268235.db2.gz IMPOJOMDOJZGHE-JOCHJYFZSA-N 1 0 437.588 2.413 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1C ZINC000022734477 524577086 /nfs/dbraw/zinc/57/70/86/524577086.db2.gz UWHUACQEPKDHPJ-DEOSSOPVSA-N 1 0 449.599 2.339 50 10 IECARO COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589415 524662295 /nfs/dbraw/zinc/66/22/95/524662295.db2.gz UWRYKZXHVJDYLO-OAQYLSRUSA-N 1 0 426.561 2.245 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000022809715 525003619 /nfs/dbraw/zinc/00/36/19/525003619.db2.gz WKDCAODSUVKBDR-QHCPKHFHSA-N 1 0 437.588 2.413 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022734532 525003963 /nfs/dbraw/zinc/00/39/63/525003963.db2.gz UTCQSURPUDBCSH-DEOSSOPVSA-N 1 0 449.599 2.339 50 10 IECARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000004669408 536696352 /nfs/dbraw/zinc/69/63/52/536696352.db2.gz OWZXCJUQURHKOZ-LJQANCHMSA-N 1 0 428.577 2.115 50 10 IECARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1OC ZINC000013008687 536741515 /nfs/dbraw/zinc/74/15/15/536741515.db2.gz CRUHFVLXAZGARI-HXUWFJFHSA-N 1 0 440.544 2.444 50 10 IECARO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000065362150 556834034 /nfs/dbraw/zinc/83/40/34/556834034.db2.gz DWADPMLAOBKAFO-UHFFFAOYSA-N 1 0 430.574 2.073 50 10 IECARO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000067629406 556845025 /nfs/dbraw/zinc/84/50/25/556845025.db2.gz OFBDIBVEQJXNQT-UHFFFAOYSA-N 1 0 442.585 2.153 50 10 IECARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)N2CC[NH+](C)CC2)cc1 ZINC000023080626 556998185 /nfs/dbraw/zinc/99/81/85/556998185.db2.gz SSJYHYWTMZWEHR-HXUWFJFHSA-N 1 0 438.544 2.298 50 10 IECARO COc1ccc(O)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)c1 ZINC000299769582 568756663 /nfs/dbraw/zinc/75/66/63/568756663.db2.gz QOVHRZZPRAIJNR-CQSZACIVSA-N 1 0 425.489 2.443 50 10 IECARO CCOC(=O)c1noc2ncnc(NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)c12 ZINC000015735183 568816537 /nfs/dbraw/zinc/81/65/37/568816537.db2.gz UJVIASULNSRQCE-UHFFFAOYSA-N 1 0 426.477 2.037 50 10 IECARO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000096310530 569392653 /nfs/dbraw/zinc/39/26/53/569392653.db2.gz FGUOUDAFGDXHKU-FQEVSTJZSA-N 1 0 436.604 2.496 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000010188285 569578886 /nfs/dbraw/zinc/57/88/86/569578886.db2.gz BXORLRYBRSZSKR-FQEVSTJZSA-N 1 0 438.528 2.416 50 10 IECARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+](C)C)ccc21 ZINC000013008601 132341895 /nfs/dbraw/zinc/34/18/95/132341895.db2.gz AVUUIZKXBBOTHX-HXUWFJFHSA-N 1 0 438.528 2.198 50 10 IECARO CN(C)c1ccc(/C=C/C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000012152447 522127336 /nfs/dbraw/zinc/12/73/36/522127336.db2.gz HIXSFNWXPDMNRW-HWKANZROSA-N 1 0 434.544 2.481 50 10 IECARO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022589515 522245161 /nfs/dbraw/zinc/24/51/61/522245161.db2.gz WKRSYOBCYXKBQP-HSZRJFAPSA-N 1 0 430.618 2.203 50 10 IECARO COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589110 526217085 /nfs/dbraw/zinc/21/70/85/526217085.db2.gz YVHAZSOGXFKUJA-FQEVSTJZSA-N 1 0 426.561 2.488 50 10 IECARO COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022589426 526228913 /nfs/dbraw/zinc/22/89/13/526228913.db2.gz XOJVLDYBTKUQGT-HSZRJFAPSA-N 1 0 426.561 2.245 50 10 IECARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(OC)cc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009290939 535502647 /nfs/dbraw/zinc/50/26/47/535502647.db2.gz HVJQRFXAKCJLPG-SFTDATJTSA-N 1 0 436.512 2.224 50 10 IECARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(N(C)C)cc2)CC3)o1 ZINC000014881550 556453720 /nfs/dbraw/zinc/45/37/20/556453720.db2.gz PSHWXEDMFMQWSB-UHFFFAOYSA-N 1 0 438.532 2.072 50 10 IECARO Cc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016024892 556576206 /nfs/dbraw/zinc/57/62/06/556576206.db2.gz HCNRHKZZSADFHD-OIBPMIBVSA-N 1 0 449.507 2.168 50 10 IECARO CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000012069504 557526099 /nfs/dbraw/zinc/52/60/99/557526099.db2.gz ZMVCNMYTTXJMEL-UHFFFAOYSA-N 1 0 440.544 2.361 50 10 IECARO CN(C)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000020783427 522184949 /nfs/dbraw/zinc/18/49/49/522184949.db2.gz QVJBOXWGXOTBCI-UHFFFAOYSA-N 1 0 436.535 2.400 50 10 IECARO CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022589508 522247581 /nfs/dbraw/zinc/24/75/81/522247581.db2.gz WKRSYOBCYXKBQP-QHCPKHFHSA-N 1 0 430.618 2.203 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022809776 522248525 /nfs/dbraw/zinc/24/85/25/522248525.db2.gz REJOJFRPJFIACH-NRFANRHFSA-N 1 0 445.514 2.074 50 10 IECARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022735797 523998462 /nfs/dbraw/zinc/99/84/62/523998462.db2.gz LYJKJNRVWBJNGL-OAQYLSRUSA-N 1 0 432.565 2.085 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022809705 525005270 /nfs/dbraw/zinc/00/52/70/525005270.db2.gz NGNVUXQGYLMNLG-QHCPKHFHSA-N 1 0 437.588 2.413 50 10 IECARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011912998 556375924 /nfs/dbraw/zinc/37/59/24/556375924.db2.gz PKCOZYASWUNTKN-GOSISDBHSA-N 1 0 426.565 2.150 50 10 IECARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000015006863 556481893 /nfs/dbraw/zinc/48/18/93/556481893.db2.gz LTAZHSIFGCKMMG-NRFANRHFSA-N 1 0 448.637 2.429 50 10 IECARO COc1cccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c1O ZINC000019300750 556735147 /nfs/dbraw/zinc/73/51/47/556735147.db2.gz GTEYAWLPQDRRQJ-UHFFFAOYSA-N 1 0 439.491 2.049 50 10 IECARO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1N(C)S(C)(=O)=O ZINC000065363203 556834725 /nfs/dbraw/zinc/83/47/25/556834725.db2.gz ZILYRUDMFLBHFH-UHFFFAOYSA-N 1 0 430.574 2.073 50 10 IECARO CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000034377748 557417770 /nfs/dbraw/zinc/41/77/70/557417770.db2.gz OWCDPZOGJPBQTA-FYWRMAATSA-N 1 0 429.571 2.058 50 10 IECARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016032986 568867611 /nfs/dbraw/zinc/86/76/11/568867611.db2.gz LPHRZKXEPHHPFN-CCIIEHSASA-N 1 0 447.491 2.004 50 10 biogenic IECARO CC(C)CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(C)CC2)SC1=S ZINC000027016710 568937873 /nfs/dbraw/zinc/93/78/73/568937873.db2.gz CCUDJDDXJYBREZ-FOWTUZBSSA-N 1 0 443.598 2.304 50 10 IECARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964083 569491184 /nfs/dbraw/zinc/49/11/84/569491184.db2.gz GMWJBOIHPIOXIM-HSZRJFAPSA-N 1 0 436.556 2.257 50 10 IECARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(OC)cc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009290940 132312885 /nfs/dbraw/zinc/31/28/85/132312885.db2.gz HVJQRFXAKCJLPG-NHCUHLMSSA-N 1 0 436.512 2.224 50 10 IECARO CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c1O ZINC000020453232 521345865 /nfs/dbraw/zinc/34/58/65/521345865.db2.gz JOWCUKFEILWGAT-MRXNPFEDSA-N 1 0 443.548 2.045 50 10 IECARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CC[NH+](C)CC2)cc1 ZINC000022809631 522241204 /nfs/dbraw/zinc/24/12/04/522241204.db2.gz RSEGFXVTGFRQPI-OAQYLSRUSA-N 1 0 445.514 2.074 50 10 IECARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809583 522247153 /nfs/dbraw/zinc/24/71/53/522247153.db2.gz FEAUUUGLLLSKCC-NRFANRHFSA-N 1 0 443.979 2.449 50 10 IECARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735580 523917740 /nfs/dbraw/zinc/91/77/40/523917740.db2.gz UGHQNKAPHRVXNE-QHCPKHFHSA-N 1 0 446.592 2.475 50 10 IECARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734424 523967756 /nfs/dbraw/zinc/96/77/56/523967756.db2.gz RCMVBEQAAAWJRM-XMMPIXPASA-N 1 0 449.599 2.285 50 10 IECARO CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022733829 523998598 /nfs/dbraw/zinc/99/85/98/523998598.db2.gz FGEOMBWYYLINFH-JOCHJYFZSA-N 1 0 426.536 2.302 50 10 IECARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022735794 523999395 /nfs/dbraw/zinc/99/93/95/523999395.db2.gz LYJKJNRVWBJNGL-NRFANRHFSA-N 1 0 432.565 2.085 50 10 IECARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022822500 524415678 /nfs/dbraw/zinc/41/56/78/524415678.db2.gz ZUFAKALCLRMBDB-QHCPKHFHSA-N 1 0 437.588 2.413 50 10 IECARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589432 524931928 /nfs/dbraw/zinc/93/19/28/524931928.db2.gz JCPKERBAKKIGCC-QHCPKHFHSA-N 1 0 426.561 2.245 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000022809722 525007080 /nfs/dbraw/zinc/00/70/80/525007080.db2.gz WKDCAODSUVKBDR-HSZRJFAPSA-N 1 0 437.588 2.413 50 10 IECARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000023080585 556997935 /nfs/dbraw/zinc/99/79/35/556997935.db2.gz MPUBOUTWXPPXNE-NRFANRHFSA-N 1 0 446.617 2.337 50 10 IECARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cc1 ZINC000033321038 557105783 /nfs/dbraw/zinc/10/57/83/557105783.db2.gz YYUDUINNOHYVNW-UHFFFAOYSA-N 1 0 425.455 2.390 50 10 IECARO COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C3CCCC3)CC2)cc1 ZINC000011665919 557293746 /nfs/dbraw/zinc/29/37/46/557293746.db2.gz PRSTWVDCDFDYRW-UHFFFAOYSA-N 1 0 449.559 2.468 50 10 IECARO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000023857722 557376673 /nfs/dbraw/zinc/37/66/73/557376673.db2.gz WPKQNXYOKRSZMK-DEOSSOPVSA-N 1 0 449.599 2.285 50 10 IECARO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000023857720 557376716 /nfs/dbraw/zinc/37/67/16/557376716.db2.gz WPKQNXYOKRSZMK-XMMPIXPASA-N 1 0 449.599 2.285 50 10 IECARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016032983 568867575 /nfs/dbraw/zinc/86/75/75/568867575.db2.gz LPHRZKXEPHHPFN-ZPIFVSINSA-N 1 0 447.491 2.004 50 10 biogenic IECARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016032984 568867602 /nfs/dbraw/zinc/86/76/02/568867602.db2.gz LPHRZKXEPHHPFN-DUHPJZPXSA-N 1 0 447.491 2.004 50 10 biogenic IECARO CCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000028629676 569415881 /nfs/dbraw/zinc/41/58/81/569415881.db2.gz YFPKYYLWFFKOFW-DTQAZKPQSA-N 1 0 443.598 2.366 50 10 IECARO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000021754730 521201685 /nfs/dbraw/zinc/20/16/85/521201685.db2.gz GXCVAAPZMXCNEF-QHCPKHFHSA-N 1 0 446.617 2.418 50 10 IECARO CCOC(=O)c1nc2onc(C)c2c(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000021646138 521600253 /nfs/dbraw/zinc/60/02/53/521600253.db2.gz IZXSCJNGARHTKJ-UHFFFAOYSA-N 1 0 440.504 2.346 50 10 IECARO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022809804 521858004 /nfs/dbraw/zinc/85/80/04/521858004.db2.gz GBJQNTRAQSCIAJ-QHCPKHFHSA-N 1 0 437.588 2.358 50 10 IECARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022734547 524130965 /nfs/dbraw/zinc/13/09/65/524130965.db2.gz SXWNIAZQZTWTKB-XMMPIXPASA-N 1 0 449.599 2.339 50 10 IECARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022809735 524132917 /nfs/dbraw/zinc/13/29/17/524132917.db2.gz BRAWNIJERZSXNC-HSZRJFAPSA-N 1 0 437.588 2.413 50 10 IECARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734492 524268314 /nfs/dbraw/zinc/26/83/14/524268314.db2.gz PGWVWEUQAWFVMY-HSZRJFAPSA-N 1 0 449.599 2.339 50 10 IECARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022734255 524417974 /nfs/dbraw/zinc/41/79/74/524417974.db2.gz BCEADCDCIJHXAZ-XMMPIXPASA-N 1 0 449.599 2.339 50 10 IECARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735011 524576012 /nfs/dbraw/zinc/57/60/12/524576012.db2.gz XSEUZXIFBSVXGP-DEOSSOPVSA-N 1 0 449.599 2.421 50 10 IECARO COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022733832 524661528 /nfs/dbraw/zinc/66/15/28/524661528.db2.gz GLNWJRPZONRYTG-JOCHJYFZSA-N 1 0 438.572 2.171 50 10 IECARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1F ZINC000022809789 525003176 /nfs/dbraw/zinc/00/31/76/525003176.db2.gz QYNDTVAWFJQHDL-QFIPXVFZSA-N 1 0 441.551 2.244 50 10 IECARO CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002331055 535425017 /nfs/dbraw/zinc/42/50/17/535425017.db2.gz OWCDPZOGJPBQTA-SQFISAMPSA-N 1 0 429.571 2.058 50 10 IECARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000011790924 556355760 /nfs/dbraw/zinc/35/57/60/556355760.db2.gz MKJJXHDMQORVQG-QWNKOJSDSA-N 1 0 426.565 2.129 50 10 IECARO Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000065364075 556835486 /nfs/dbraw/zinc/83/54/86/556835486.db2.gz JQIACXOXHXDQGH-UHFFFAOYSA-N 1 0 430.574 2.073 50 10 IECARO CCOC(=O)c1c(NC(=O)C[C@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])sc2c1CCCC2 ZINC000022997116 556839199 /nfs/dbraw/zinc/83/91/99/556839199.db2.gz XLPASWCYGGXMGC-AWEZNQCLSA-N 1 0 425.551 2.127 50 10 IECARO Cc1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1N1CCCC1=O ZINC000067629435 556845191 /nfs/dbraw/zinc/84/51/91/556845191.db2.gz ORIGRZQLWYFNGW-UHFFFAOYSA-N 1 0 442.585 2.352 50 10 IECARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3Cc4ccccc4N3C(C)=O)CC2)cc1 ZINC000015773247 568823097 /nfs/dbraw/zinc/82/30/97/568823097.db2.gz RYNLTMVGXPNYQZ-XMMPIXPASA-N 1 0 436.556 2.301 50 10 IECARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1OC ZINC000008963951 569491206 /nfs/dbraw/zinc/49/12/06/569491206.db2.gz NCPCPMQLCUEKRZ-LJQANCHMSA-N 1 0 426.517 2.054 50 10 IECARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000010188288 569578846 /nfs/dbraw/zinc/57/88/46/569578846.db2.gz SYAXIFZQYNQQGF-OAQYLSRUSA-N 1 0 438.528 2.431 50 10 IECARO