smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164687186 719673156 /nfs/dbraw/zinc/67/31/56/719673156.db2.gz ZWQQBMAMUZMILL-NRFANRHFSA-N 3 1 491.684 2.498 20 0 JEADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164683405 719680089 /nfs/dbraw/zinc/68/00/89/719680089.db2.gz RRWDRRGGYXYCRW-JOCHJYFZSA-N 2 1 491.684 2.322 20 0 JEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751875 720859676 /nfs/dbraw/zinc/85/96/76/720859676.db2.gz RJIXBXSTTDVQEV-AOHZBQACSA-N 2 1 451.619 2.431 20 0 JEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164751876 720859795 /nfs/dbraw/zinc/85/97/95/720859795.db2.gz RJIXBXSTTDVQEV-FIXSFTCYSA-N 2 1 451.619 2.431 20 0 JEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(N4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747204 720877992 /nfs/dbraw/zinc/87/79/92/720877992.db2.gz ALTCJVVMNPGRKM-JYFHCDHNSA-N 2 1 463.630 2.036 20 0 JEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(N4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747207 720878109 /nfs/dbraw/zinc/87/81/09/720878109.db2.gz ALTCJVVMNPGRKM-ZEQKJWHPSA-N 2 1 463.630 2.036 20 0 JEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CC[NH2+]CC4)n2)C3)c1 ZINC001164755689 720893077 /nfs/dbraw/zinc/89/30/77/720893077.db2.gz MOFRFVYXAVDVDY-OZXSUGGESA-N 2 1 463.630 2.036 20 0 JEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cncc(N4CC[NH2+]CC4)n2)C3)c1 ZINC001164755690 720893120 /nfs/dbraw/zinc/89/31/20/720893120.db2.gz MOFRFVYXAVDVDY-ZEQKJWHPSA-N 2 1 463.630 2.036 20 0 JEADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)C1 ZINC001164734375 720521136 /nfs/dbraw/zinc/52/11/36/720521136.db2.gz PVXYBYGWZVUGIF-PMACEKPBSA-N 2 1 483.661 2.275 20 0 JEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744590 720845580 /nfs/dbraw/zinc/84/55/80/720845580.db2.gz KUOAAQQHSUEAIH-FDFHNCONSA-N 2 1 478.649 2.043 20 0 JEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744590 720845581 /nfs/dbraw/zinc/84/55/81/720845581.db2.gz KUOAAQQHSUEAIH-FDFHNCONSA-N 2 1 478.649 2.043 20 0 JEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164783785 721359025 /nfs/dbraw/zinc/35/90/25/721359025.db2.gz PJZLHJRDCUVHKE-DEOSSOPVSA-N 2 1 455.607 2.128 20 0 JEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164783785 721359027 /nfs/dbraw/zinc/35/90/27/721359027.db2.gz PJZLHJRDCUVHKE-DEOSSOPVSA-N 2 1 455.607 2.128 20 0 JEADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1 ZINC001164790455 721475998 /nfs/dbraw/zinc/47/59/98/721475998.db2.gz DTKHEMCEFXYMKI-YTFSRNRJSA-N 2 1 496.681 2.499 20 0 JEADMP CN(CC1CC[NH+](C)CC1)c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001165042816 721936089 /nfs/dbraw/zinc/93/60/89/721936089.db2.gz MDVOOXSZLMHHLH-UHFFFAOYSA-N 2 1 473.691 2.053 20 0 JEADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c32)C1 ZINC001164390704 718809636 /nfs/dbraw/zinc/80/96/36/718809636.db2.gz CUTVIXIVKGFWQV-MRXNPFEDSA-N 2 1 454.644 2.470 20 0 JEADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164683411 719679947 /nfs/dbraw/zinc/67/99/47/719679947.db2.gz RRWDRRGGYXYCRW-QFIPXVFZSA-N 2 1 491.684 2.322 20 0 JEADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC001164734530 720520843 /nfs/dbraw/zinc/52/08/43/720520843.db2.gz PVXYBYGWZVUGIF-WOJBJXKFSA-N 2 1 483.661 2.275 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747076 720818152 /nfs/dbraw/zinc/81/81/52/720818152.db2.gz ZYUSBGQUDJNQPK-ZHALLVOQSA-N 2 1 450.547 2.106 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747076 720818155 /nfs/dbraw/zinc/81/81/55/720818155.db2.gz ZYUSBGQUDJNQPK-ZHALLVOQSA-N 2 1 450.547 2.106 20 0 JEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744593 720845765 /nfs/dbraw/zinc/84/57/65/720845765.db2.gz KUOAAQQHSUEAIH-FKBYEOEOSA-N 2 1 478.649 2.043 20 0 JEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744593 720845766 /nfs/dbraw/zinc/84/57/66/720845766.db2.gz KUOAAQQHSUEAIH-FKBYEOEOSA-N 2 1 478.649 2.043 20 0 JEADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1 ZINC001164790444 721475811 /nfs/dbraw/zinc/47/58/11/721475811.db2.gz DTKHEMCEFXYMKI-DNVJHFABSA-N 2 1 496.681 2.499 20 0 JEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164709694 720097641 /nfs/dbraw/zinc/09/76/41/720097641.db2.gz CFYRDHUOVWLLKN-QFIPXVFZSA-N 2 1 451.619 2.131 20 0 JEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164711293 720128151 /nfs/dbraw/zinc/12/81/51/720128151.db2.gz HBGXXNJETZVJLV-QFIPXVFZSA-N 2 1 451.619 2.307 20 0 JEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164751877 720859924 /nfs/dbraw/zinc/85/99/24/720859924.db2.gz RJIXBXSTTDVQEV-GPXNEJASSA-N 2 1 451.619 2.431 20 0 JEADMP C[NH+]1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164754955 720873121 /nfs/dbraw/zinc/87/31/21/720873121.db2.gz UVDBNQCNAKNQHX-SQHAQQRYSA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+]1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164754954 720873468 /nfs/dbraw/zinc/87/34/68/720873468.db2.gz UVDBNQCNAKNQHX-SHQCIBLASA-N 2 1 477.657 2.379 20 0 JEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747202 720877724 /nfs/dbraw/zinc/87/77/24/720877724.db2.gz ALTCJVVMNPGRKM-BVAGGSTKSA-N 2 1 463.630 2.036 20 0 JEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1 ZINC001164789702 721475949 /nfs/dbraw/zinc/47/59/49/721475949.db2.gz BQMGRCQNILFKJC-BDTNDASRSA-N 2 1 482.654 2.109 20 0 JEADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC(=O)NC5(CC[NH2+]CC5)C3)n2)CCC4)CC1 ZINC001164391252 718809584 /nfs/dbraw/zinc/80/95/84/718809584.db2.gz GPVLXOXQVFQDKL-UHFFFAOYSA-N 2 1 454.644 2.470 20 0 JEADMP C[NH+]1CCN(Cc2cc3nc(N4CCCCC45CC[NH2+]CC5)nc(N4CCOCC4)c3s2)CC1 ZINC001164422276 718911184 /nfs/dbraw/zinc/91/11/84/718911184.db2.gz ZBBHHKRCTZTOHK-UHFFFAOYSA-N 2 1 485.702 2.388 20 0 JEADMP C[NH+]1CCN(c2nccc(N(Cc3cccnc3)c3ccc4nc(C5CC[NH2+]CC5)nn4c3)n2)CC1 ZINC001164633585 719138660 /nfs/dbraw/zinc/13/86/60/719138660.db2.gz SDOYFKCXADASNP-UHFFFAOYSA-N 2 1 484.612 2.471 20 0 JEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164710410 720129221 /nfs/dbraw/zinc/12/92/21/720129221.db2.gz AZUNCTWEEUJUNC-JOCHJYFZSA-N 2 1 464.614 2.030 20 0 JEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164788318 721467943 /nfs/dbraw/zinc/46/79/43/721467943.db2.gz IYIFPIDHBHGBDY-NRFANRHFSA-N 2 1 459.635 2.341 20 0 JEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164684229 719609282 /nfs/dbraw/zinc/60/92/82/719609282.db2.gz NMRHNLRNPFPONC-UHFFFAOYSA-N 2 1 455.941 2.247 20 0 JEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164684229 719609292 /nfs/dbraw/zinc/60/92/92/719609292.db2.gz NMRHNLRNPFPONC-UHFFFAOYSA-N 2 1 455.941 2.247 20 0 JEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1 ZINC001164789707 721475880 /nfs/dbraw/zinc/47/58/80/721475880.db2.gz BQMGRCQNILFKJC-VSKRKVRLSA-N 2 1 482.654 2.109 20 0 JEADMP CC(C)C[NH+]1CCN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001164657347 719336528 /nfs/dbraw/zinc/33/65/28/719336528.db2.gz ITFIMUDCLVTZEQ-UHFFFAOYSA-N 2 1 473.691 2.053 20 0 JEADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164687191 719673380 /nfs/dbraw/zinc/67/33/80/719673380.db2.gz ZWQQBMAMUZMILL-OAQYLSRUSA-N 3 1 491.684 2.498 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747068 720818204 /nfs/dbraw/zinc/81/82/04/720818204.db2.gz ZYUSBGQUDJNQPK-YQVWRLOYSA-N 2 1 450.547 2.106 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747068 720818205 /nfs/dbraw/zinc/81/82/05/720818205.db2.gz ZYUSBGQUDJNQPK-YQVWRLOYSA-N 2 1 450.547 2.106 20 0 JEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744584 720845501 /nfs/dbraw/zinc/84/55/01/720845501.db2.gz KUOAAQQHSUEAIH-BHIFYINESA-N 2 1 478.649 2.043 20 0 JEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744584 720845505 /nfs/dbraw/zinc/84/55/05/720845505.db2.gz KUOAAQQHSUEAIH-BHIFYINESA-N 2 1 478.649 2.043 20 0 JEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CC[NH2+]CC4)n2)C3)c1 ZINC001164755687 720893141 /nfs/dbraw/zinc/89/31/41/720893141.db2.gz MOFRFVYXAVDVDY-BVAGGSTKSA-N 2 1 463.630 2.036 20 0 JEADMP O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CC[NH2+]CC1 ZINC001164755402 720897037 /nfs/dbraw/zinc/89/70/37/720897037.db2.gz LVVAGASNMWWIDN-YWEHKCAJSA-N 2 1 490.652 2.277 20 0 JEADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164750852 720956902 /nfs/dbraw/zinc/95/69/02/720956902.db2.gz MLEPPSXNXROGPL-UHFFFAOYSA-N 2 1 463.517 2.461 20 0 JEADMP c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2)ccn1 ZINC001164963469 722061271 /nfs/dbraw/zinc/06/12/71/722061271.db2.gz ZCHRIPCIYQXQAC-UHFFFAOYSA-N 2 1 452.603 2.369 20 0 JEADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)c2c1CC[NH2+]C2 ZINC001164682421 719615043 /nfs/dbraw/zinc/61/50/43/719615043.db2.gz CXCZTERRIXRNTM-UHFFFAOYSA-N 2 1 465.583 2.340 20 0 JEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)c2c1CC[NH2+]C2 ZINC001164682421 719615054 /nfs/dbraw/zinc/61/50/54/719615054.db2.gz CXCZTERRIXRNTM-UHFFFAOYSA-N 2 1 465.583 2.340 20 0 JEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164709691 720098569 /nfs/dbraw/zinc/09/85/69/720098569.db2.gz CFYRDHUOVWLLKN-JOCHJYFZSA-N 2 1 451.619 2.131 20 0 JEADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC001164734391 720521141 /nfs/dbraw/zinc/52/11/41/720521141.db2.gz PVXYBYGWZVUGIF-UXHICEINSA-N 2 1 483.661 2.275 20 0 JEADMP C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164848112 720805449 /nfs/dbraw/zinc/80/54/49/720805449.db2.gz ODZBPNCXJOYSEA-SFHVURJKSA-N 2 1 457.582 2.491 20 0 JEADMP C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164848112 720805452 /nfs/dbraw/zinc/80/54/52/720805452.db2.gz ODZBPNCXJOYSEA-SFHVURJKSA-N 2 1 457.582 2.491 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747081 720818086 /nfs/dbraw/zinc/81/80/86/720818086.db2.gz ZYUSBGQUDJNQPK-ZIFCJYIRSA-N 2 1 450.547 2.106 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747081 720818089 /nfs/dbraw/zinc/81/80/89/720818089.db2.gz ZYUSBGQUDJNQPK-ZIFCJYIRSA-N 2 1 450.547 2.106 20 0 JEADMP O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CC[NH2+]CC1 ZINC001164755400 720897549 /nfs/dbraw/zinc/89/75/49/720897549.db2.gz LVVAGASNMWWIDN-RBJSKKJNSA-N 2 1 490.652 2.277 20 0 JEADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164752325 720957082 /nfs/dbraw/zinc/95/70/82/720957082.db2.gz WGCMQKCKMTZLRW-UHFFFAOYSA-N 2 1 463.517 2.461 20 0 JEADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c2ccccc21 ZINC001164680335 719673511 /nfs/dbraw/zinc/67/35/11/719673511.db2.gz CVMCGHCTYKQUHA-NRFANRHFSA-N 2 1 478.641 2.407 20 0 JEADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)cs1 ZINC001164691314 719812721 /nfs/dbraw/zinc/81/27/21/719812721.db2.gz FSPJSLLNVZFLSJ-UHFFFAOYSA-N 2 1 455.632 2.316 20 0 JEADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)cs1 ZINC001164691314 719812722 /nfs/dbraw/zinc/81/27/22/719812722.db2.gz FSPJSLLNVZFLSJ-UHFFFAOYSA-N 2 1 455.632 2.316 20 0 JEADMP C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c2c1C[NH2+]CC2 ZINC001164848685 720805628 /nfs/dbraw/zinc/80/56/28/720805628.db2.gz QLCUQIRRWDWKMP-SFHVURJKSA-N 2 1 457.582 2.491 20 0 JEADMP C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c2c1C[NH2+]CC2 ZINC001164848685 720805633 /nfs/dbraw/zinc/80/56/33/720805633.db2.gz QLCUQIRRWDWKMP-SFHVURJKSA-N 2 1 457.582 2.491 20 0 JEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744597 720845560 /nfs/dbraw/zinc/84/55/60/720845560.db2.gz KUOAAQQHSUEAIH-FSSWDIPSSA-N 2 1 478.649 2.043 20 0 JEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744597 720845561 /nfs/dbraw/zinc/84/55/61/720845561.db2.gz KUOAAQQHSUEAIH-FSSWDIPSSA-N 2 1 478.649 2.043 20 0 JEADMP C[NH+]1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164754951 720873312 /nfs/dbraw/zinc/87/33/12/720873312.db2.gz UVDBNQCNAKNQHX-IGKIAQTJSA-N 2 1 477.657 2.379 20 0 JEADMP O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CC[NH2+]CC1 ZINC001164904948 721714498 /nfs/dbraw/zinc/71/44/98/721714498.db2.gz FTRRWJGIWRNFHY-HSZRJFAPSA-N 2 1 456.541 2.260 20 0 JEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164783788 721358843 /nfs/dbraw/zinc/35/88/43/721358843.db2.gz PJZLHJRDCUVHKE-XMMPIXPASA-N 2 1 455.607 2.128 20 0 JEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164783788 721358848 /nfs/dbraw/zinc/35/88/48/721358848.db2.gz PJZLHJRDCUVHKE-XMMPIXPASA-N 2 1 455.607 2.128 20 0 JEADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787770 721461912 /nfs/dbraw/zinc/46/19/12/721461912.db2.gz SEESFDONDHCZNA-GOSISDBHSA-N 2 1 457.575 2.478 20 0 JEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787770 721461915 /nfs/dbraw/zinc/46/19/15/721461915.db2.gz SEESFDONDHCZNA-GOSISDBHSA-N 2 1 457.575 2.478 20 0 JEADMP C[NH+](C)CC1CCN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001165045741 721947928 /nfs/dbraw/zinc/94/79/28/721947928.db2.gz ZGTYFMVOVIWFIQ-UHFFFAOYSA-N 2 1 473.691 2.053 20 0 JEADMP C[NH+]1CCN(Cc2cc3nc(N4CCC5(CCCC[NH2+]5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164388607 718803344 /nfs/dbraw/zinc/80/33/44/718803344.db2.gz XUNILVJUNXJITK-UHFFFAOYSA-N 2 1 485.702 2.388 20 0 JEADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)c2c1CC[NH2+]C2 ZINC001164680233 719633948 /nfs/dbraw/zinc/63/39/48/719633948.db2.gz SWFFENVCNCWKLS-UHFFFAOYSA-N 2 1 456.572 2.344 20 0 JEADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)c2c1CC[NH2+]C2 ZINC001164680233 719633949 /nfs/dbraw/zinc/63/39/49/719633949.db2.gz SWFFENVCNCWKLS-UHFFFAOYSA-N 2 1 456.572 2.344 20 0 JEADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3ccn(S(=O)(=O)c4ccccc4)c3n2)c2c1CC[NH2+]C2 ZINC001164679426 719636618 /nfs/dbraw/zinc/63/66/18/719636618.db2.gz AFWGHBYMAOZFAN-UHFFFAOYSA-N 2 1 465.583 2.340 20 0 JEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3ccn(S(=O)(=O)c4ccccc4)c3n2)c2c1CC[NH2+]C2 ZINC001164679426 719636621 /nfs/dbraw/zinc/63/66/21/719636621.db2.gz AFWGHBYMAOZFAN-UHFFFAOYSA-N 2 1 465.583 2.340 20 0 JEADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164711715 720150037 /nfs/dbraw/zinc/15/00/37/720150037.db2.gz IIPFNMKNRORBMF-QFIPXVFZSA-N 2 1 451.619 2.131 20 0 JEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164711715 720150044 /nfs/dbraw/zinc/15/00/44/720150044.db2.gz IIPFNMKNRORBMF-QFIPXVFZSA-N 2 1 451.619 2.131 20 0 JEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cncc(N4CC[NH2+]CC4)n2)C3)c1 ZINC001164755688 720893346 /nfs/dbraw/zinc/89/33/46/720893346.db2.gz MOFRFVYXAVDVDY-JYFHCDHNSA-N 2 1 463.630 2.036 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164754228 720925183 /nfs/dbraw/zinc/92/51/83/720925183.db2.gz URRZBMVBJZBTHP-SQHAQQRYSA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164754228 720925191 /nfs/dbraw/zinc/92/51/91/720925191.db2.gz URRZBMVBJZBTHP-SQHAQQRYSA-N 2 1 477.657 2.379 20 0 JEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164788320 721467923 /nfs/dbraw/zinc/46/79/23/721467923.db2.gz IYIFPIDHBHGBDY-OAQYLSRUSA-N 2 1 459.635 2.341 20 0 JEADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1 ZINC001164790463 721475962 /nfs/dbraw/zinc/47/59/62/721475962.db2.gz DTKHEMCEFXYMKI-ZLNRFVROSA-N 2 1 496.681 2.499 20 0 JEADMP C[NH+]1CCN(Cc2cc3nc(N4CC[NH+](C5CCCC5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001165032667 721859058 /nfs/dbraw/zinc/85/90/58/721859058.db2.gz YNQNNLBIKFJHGB-UHFFFAOYSA-N 2 1 485.702 2.340 20 0 JEADMP CCc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(N2CCOCC2)[nH+]1 ZINC001164960024 722057768 /nfs/dbraw/zinc/05/77/68/722057768.db2.gz DAZUORXALSHBAN-UHFFFAOYSA-N 2 1 452.603 2.390 20 0 JEADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c32)C1 ZINC001164390700 718809692 /nfs/dbraw/zinc/80/96/92/718809692.db2.gz CUTVIXIVKGFWQV-INIZCTEOSA-N 2 1 454.644 2.470 20 0 JEADMP COCCOc1cc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OCCOC ZINC001164682786 719610927 /nfs/dbraw/zinc/61/09/27/719610927.db2.gz FYDLOTHVEIAPCJ-UHFFFAOYSA-N 2 1 484.601 2.352 20 0 JEADMP COCCOc1cc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OCCOC ZINC001164682786 719610929 /nfs/dbraw/zinc/61/09/29/719610929.db2.gz FYDLOTHVEIAPCJ-UHFFFAOYSA-N 2 1 484.601 2.352 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747057 720818041 /nfs/dbraw/zinc/81/80/41/720818041.db2.gz ZYUSBGQUDJNQPK-JENIJYKNSA-N 2 1 450.547 2.106 20 0 JEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747057 720818044 /nfs/dbraw/zinc/81/80/44/720818044.db2.gz ZYUSBGQUDJNQPK-JENIJYKNSA-N 2 1 450.547 2.106 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164754226 720924427 /nfs/dbraw/zinc/92/44/27/720924427.db2.gz URRZBMVBJZBTHP-RPLLCQBOSA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164754226 720924434 /nfs/dbraw/zinc/92/44/34/720924434.db2.gz URRZBMVBJZBTHP-RPLLCQBOSA-N 2 1 477.657 2.379 20 0 JEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(OC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164781693 721367532 /nfs/dbraw/zinc/36/75/32/721367532.db2.gz KZCNOXJDFFYQAE-XMMPIXPASA-N 2 1 456.591 2.331 20 0 JEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(OC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164781693 721367536 /nfs/dbraw/zinc/36/75/36/721367536.db2.gz KZCNOXJDFFYQAE-XMMPIXPASA-N 2 1 456.591 2.331 20 0 JEADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1 ZINC001164790469 721475957 /nfs/dbraw/zinc/47/59/57/721475957.db2.gz DTKHEMCEFXYMKI-ZRBLBEILSA-N 2 1 496.681 2.499 20 0 JEADMP FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904377 721721993 /nfs/dbraw/zinc/72/19/93/721721993.db2.gz CXBPZPXQCVPTOX-QHCPKHFHSA-N 2 1 471.556 2.049 20 0 JEADMP FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904377 721722001 /nfs/dbraw/zinc/72/20/01/721722001.db2.gz CXBPZPXQCVPTOX-QHCPKHFHSA-N 2 1 471.556 2.049 20 0 JEADMP CC(C)n1nc(CN(c2nccs2)c2ccnc(N3CC[NH+](C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164711203 720091398 /nfs/dbraw/zinc/09/13/98/720091398.db2.gz PIDWRAPFINGQDX-UHFFFAOYSA-N 2 1 453.620 2.446 20 0 JEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164711290 720128579 /nfs/dbraw/zinc/12/85/79/720128579.db2.gz HBGXXNJETZVJLV-JOCHJYFZSA-N 2 1 451.619 2.307 20 0 JEADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164711714 720149854 /nfs/dbraw/zinc/14/98/54/720149854.db2.gz IIPFNMKNRORBMF-JOCHJYFZSA-N 2 1 451.619 2.131 20 0 JEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164711714 720149859 /nfs/dbraw/zinc/14/98/59/720149859.db2.gz IIPFNMKNRORBMF-JOCHJYFZSA-N 2 1 451.619 2.131 20 0 JEADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001164719624 720182754 /nfs/dbraw/zinc/18/27/54/720182754.db2.gz XARVJNXWYQXDHQ-FQEVSTJZSA-N 2 1 496.616 2.323 20 0 JEADMP O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CC[NH2+]CC1 ZINC001164755401 720897184 /nfs/dbraw/zinc/89/71/84/720897184.db2.gz LVVAGASNMWWIDN-UFHPHHKVSA-N 2 1 490.652 2.277 20 0 JEADMP C[NH+]1CCN(Cc2cc3nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164769688 721296680 /nfs/dbraw/zinc/29/66/80/721296680.db2.gz LUYLGGWTUOGDBG-UHFFFAOYSA-N 2 1 497.713 2.197 20 0 JEADMP C[NH+]1CCN(Cc2cc3nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164769688 721296683 /nfs/dbraw/zinc/29/66/83/721296683.db2.gz LUYLGGWTUOGDBG-UHFFFAOYSA-N 2 1 497.713 2.197 20 0 JEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(OC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164781689 721367946 /nfs/dbraw/zinc/36/79/46/721367946.db2.gz KZCNOXJDFFYQAE-DEOSSOPVSA-N 2 1 456.591 2.331 20 0 JEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(OC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164781689 721367947 /nfs/dbraw/zinc/36/79/47/721367947.db2.gz KZCNOXJDFFYQAE-DEOSSOPVSA-N 2 1 456.591 2.331 20 0 JEADMP O=C(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CC[NH2+]CC1 ZINC001164904952 721714640 /nfs/dbraw/zinc/71/46/40/721714640.db2.gz FTRRWJGIWRNFHY-QHCPKHFHSA-N 2 1 456.541 2.260 20 0 JEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164710411 720128214 /nfs/dbraw/zinc/12/82/14/720128214.db2.gz AZUNCTWEEUJUNC-QFIPXVFZSA-N 2 1 464.614 2.030 20 0 JEADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719625 720182895 /nfs/dbraw/zinc/18/28/95/720182895.db2.gz XARVJNXWYQXDHQ-HXUWFJFHSA-N 2 1 496.616 2.323 20 0 JEADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164848110 720805771 /nfs/dbraw/zinc/80/57/71/720805771.db2.gz ODZBPNCXJOYSEA-GOSISDBHSA-N 2 1 457.582 2.491 20 0 JEADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164848110 720805775 /nfs/dbraw/zinc/80/57/75/720805775.db2.gz ODZBPNCXJOYSEA-GOSISDBHSA-N 2 1 457.582 2.491 20 0 JEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751878 720859572 /nfs/dbraw/zinc/85/95/72/720859572.db2.gz RJIXBXSTTDVQEV-WPFOTENUSA-N 2 1 451.619 2.431 20 0 JEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747205 720877676 /nfs/dbraw/zinc/87/76/76/720877676.db2.gz ALTCJVVMNPGRKM-OZXSUGGESA-N 2 1 463.630 2.036 20 0 JEADMP O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CC[NH2+]CC1 ZINC001164755399 720897215 /nfs/dbraw/zinc/89/72/15/720897215.db2.gz LVVAGASNMWWIDN-CUBQBAPOSA-N 2 1 490.652 2.277 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164754225 720924918 /nfs/dbraw/zinc/92/49/18/720924918.db2.gz URRZBMVBJZBTHP-IGKIAQTJSA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164754225 720924923 /nfs/dbraw/zinc/92/49/23/720924923.db2.gz URRZBMVBJZBTHP-IGKIAQTJSA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164754227 720925911 /nfs/dbraw/zinc/92/59/11/720925911.db2.gz URRZBMVBJZBTHP-SHQCIBLASA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164754227 720925933 /nfs/dbraw/zinc/92/59/33/720925933.db2.gz URRZBMVBJZBTHP-SHQCIBLASA-N 2 1 477.657 2.379 20 0 JEADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164749548 720951869 /nfs/dbraw/zinc/95/18/69/720951869.db2.gz HOOXLONTOCUKQM-UHFFFAOYSA-N 2 1 460.582 2.482 20 0 JEADMP CN(C)C(=O)c1cc2c[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc2n1C1CCCC1 ZINC001164750958 720954618 /nfs/dbraw/zinc/95/46/18/720954618.db2.gz NWGZVFBLOGDTAM-UHFFFAOYSA-N 2 1 494.600 2.090 20 0 JEADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787773 721462049 /nfs/dbraw/zinc/46/20/49/721462049.db2.gz SEESFDONDHCZNA-SFHVURJKSA-N 2 1 457.575 2.478 20 0 JEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787773 721462051 /nfs/dbraw/zinc/46/20/51/721462051.db2.gz SEESFDONDHCZNA-SFHVURJKSA-N 2 1 457.575 2.478 20 0 JEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1 ZINC001164789708 721475945 /nfs/dbraw/zinc/47/59/45/721475945.db2.gz BQMGRCQNILFKJC-YPAWHYETSA-N 2 1 482.654 2.109 20 0 JEADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(cc(C(=O)N(C)C)n3C3CCCC3)c[nH+]1)CC2 ZINC001164686728 719720445 /nfs/dbraw/zinc/72/04/45/719720445.db2.gz QPXPZAKYTCELQV-UHFFFAOYSA-N 2 1 467.618 2.429 20 0 JEADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(cc(C(=O)N(C)C)n3C3CCCC3)c[nH+]1)CC2 ZINC001164686728 719720449 /nfs/dbraw/zinc/72/04/49/719720449.db2.gz QPXPZAKYTCELQV-UHFFFAOYSA-N 2 1 467.618 2.429 20 0 JEADMP Cn1nnc2c1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718790 720178627 /nfs/dbraw/zinc/17/86/27/720178627.db2.gz RHGMNBOQVZFQEA-RUZDIDTESA-N 2 1 488.640 2.380 20 0 JEADMP Cn1nnc2c1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718790 720178637 /nfs/dbraw/zinc/17/86/37/720178637.db2.gz RHGMNBOQVZFQEA-RUZDIDTESA-N 2 1 488.640 2.380 20 0 JEADMP Cn1nnc2c1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718791 720179041 /nfs/dbraw/zinc/17/90/41/720179041.db2.gz RHGMNBOQVZFQEA-VWLOTQADSA-N 2 1 488.640 2.380 20 0 JEADMP Cn1nnc2c1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718791 720179053 /nfs/dbraw/zinc/17/90/53/720179053.db2.gz RHGMNBOQVZFQEA-VWLOTQADSA-N 2 1 488.640 2.380 20 0 JEADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c2c1C[NH2+]CC2 ZINC001164848681 720805593 /nfs/dbraw/zinc/80/55/93/720805593.db2.gz QLCUQIRRWDWKMP-GOSISDBHSA-N 2 1 457.582 2.491 20 0 JEADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c2c1C[NH2+]CC2 ZINC001164848681 720805594 /nfs/dbraw/zinc/80/55/94/720805594.db2.gz QLCUQIRRWDWKMP-GOSISDBHSA-N 2 1 457.582 2.491 20 0 JEADMP C[NH+]1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164754952 720873134 /nfs/dbraw/zinc/87/31/34/720873134.db2.gz UVDBNQCNAKNQHX-RPLLCQBOSA-N 2 1 477.657 2.379 20 0 JEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1 ZINC001164789705 721475971 /nfs/dbraw/zinc/47/59/71/721475971.db2.gz BQMGRCQNILFKJC-BHDDXSALSA-N 2 1 482.654 2.109 20 0 JEADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c2ccccc21 ZINC001164680339 719673221 /nfs/dbraw/zinc/67/32/21/719673221.db2.gz CVMCGHCTYKQUHA-OAQYLSRUSA-N 2 1 478.641 2.407 20 0 JEADMP CC(C)n1nc(CN(c2nccs2)c2ccc(N3CC[NH+](C)CC3)nn2)c2c1C[NH2+]CC2 ZINC001164710757 720091257 /nfs/dbraw/zinc/09/12/57/720091257.db2.gz LTBFJBZTQIZSDV-UHFFFAOYSA-N 2 1 453.620 2.446 20 0 JEADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)C1 ZINC001164734529 720520868 /nfs/dbraw/zinc/52/08/68/720520868.db2.gz PVXYBYGWZVUGIF-VQTJNVASSA-N 2 1 483.661 2.275 20 0 JEADMP FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904376 721719844 /nfs/dbraw/zinc/71/98/44/721719844.db2.gz CXBPZPXQCVPTOX-HSZRJFAPSA-N 2 1 471.556 2.049 20 0 JEADMP FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904376 721719853 /nfs/dbraw/zinc/71/98/53/721719853.db2.gz CXBPZPXQCVPTOX-HSZRJFAPSA-N 2 1 471.556 2.049 20 0 JEADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC3)C2)cc1 ZINC001164939944 721929761 /nfs/dbraw/zinc/92/97/61/721929761.db2.gz PAVXAXAZZYRHOZ-UHFFFAOYSA-N 2 1 464.614 2.096 20 0 JEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC3)C2)cc1 ZINC001164939944 721929763 /nfs/dbraw/zinc/92/97/63/721929763.db2.gz PAVXAXAZZYRHOZ-UHFFFAOYSA-N 2 1 464.614 2.096 20 0 JEADMP