smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000011720728 204351145 /nfs/dbraw/zinc/35/11/45/204351145.db2.gz YYQBBFQXFHGVKQ-QGZVFWFLSA-N 2 1 375.513 2.126 50 0 GEAAMP COc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000011720728 204351146 /nfs/dbraw/zinc/35/11/46/204351146.db2.gz YYQBBFQXFHGVKQ-QGZVFWFLSA-N 2 1 375.513 2.126 50 0 GEAAMP COc1cc(C[N@@H+](C)CCn2ccnc2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012317156 204394968 /nfs/dbraw/zinc/39/49/68/204394968.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 2 1 390.528 2.104 50 0 GEAAMP COc1cc(C[NH+](C)CCn2ccnc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012317156 204394974 /nfs/dbraw/zinc/39/49/74/204394974.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 2 1 390.528 2.104 50 0 GEAAMP COc1cc(C[NH+](C)CCn2ccnc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012317156 204394978 /nfs/dbraw/zinc/39/49/78/204394978.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 2 1 390.528 2.104 50 0 GEAAMP COc1cc(C)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1C ZINC000039400596 205042438 /nfs/dbraw/zinc/04/24/38/205042438.db2.gz TVEHPLPBEKKMLQ-OAQYLSRUSA-N 2 1 375.557 2.275 50 0 GEAAMP COc1cc(C[N@H+]2C[C@H](O)[C@@H](OC(C)C)C2)ccc1OCC[NH+]1CCCC1 ZINC000063832565 205187962 /nfs/dbraw/zinc/18/79/62/205187962.db2.gz ZYCYBIOMWHRFPU-RXVVDRJESA-N 2 1 378.513 2.140 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348590 205181525 /nfs/dbraw/zinc/18/15/25/205181525.db2.gz AWMYCHKPJWXFCV-MRXNPFEDSA-N 2 1 375.485 2.001 50 0 GEAAMP O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]CC12CCC[NH+]1CCC2 ZINC000067884083 205265838 /nfs/dbraw/zinc/26/58/38/205265838.db2.gz VUICBEOWAAMVRQ-OAQYLSRUSA-N 2 1 393.478 2.036 50 0 GEAAMP O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]CC12CCC[NH+]1CCC2 ZINC000067934574 205268559 /nfs/dbraw/zinc/26/85/59/205268559.db2.gz ABKGRNWNZHUTRT-HSZRJFAPSA-N 2 1 385.552 2.191 50 0 GEAAMP CN(CCCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071708097 205287766 /nfs/dbraw/zinc/28/77/66/205287766.db2.gz QJJLSCHERXMMPK-NRFANRHFSA-N 2 1 387.568 2.246 50 0 GEAAMP CN(CCCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071708097 205287770 /nfs/dbraw/zinc/28/77/70/205287770.db2.gz QJJLSCHERXMMPK-NRFANRHFSA-N 2 1 387.568 2.246 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071746115 205288128 /nfs/dbraw/zinc/28/81/28/205288128.db2.gz IQEHYTYLUSDNFN-NRFANRHFSA-N 2 1 386.584 2.083 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071746115 205288131 /nfs/dbraw/zinc/28/81/31/205288131.db2.gz IQEHYTYLUSDNFN-NRFANRHFSA-N 3 1 386.584 2.083 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071746115 205288134 /nfs/dbraw/zinc/28/81/34/205288134.db2.gz IQEHYTYLUSDNFN-NRFANRHFSA-N 3 1 386.584 2.083 50 0 GEAAMP CCOC(=O)[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000072145978 205310034 /nfs/dbraw/zinc/31/00/34/205310034.db2.gz MMKZRVJKYAMBOZ-SYYKKAFVSA-N 2 1 387.524 2.338 50 0 GEAAMP [NH3+][C@H]1CCN(C(=O)C2CC[NH+](C3CCN(CCCc4ccccc4)CC3)CC2)C1 ZINC000082092988 205384896 /nfs/dbraw/zinc/38/48/96/205384896.db2.gz DIEYJYJULDEPKA-QFIPXVFZSA-N 2 1 398.595 2.355 50 0 GEAAMP C[NH2+]C1CCN(c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)CC1 ZINC000071730570 136165988 /nfs/dbraw/zinc/16/59/88/136165988.db2.gz QRGYCKJBUHRWLA-UHFFFAOYSA-N 2 1 384.528 2.410 50 0 GEAAMP CCNC(=O)c1ccc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc1 ZINC000095506486 136180063 /nfs/dbraw/zinc/18/00/63/136180063.db2.gz HQSAZIZEKOYYSN-GOSISDBHSA-N 2 1 384.528 2.364 50 0 GEAAMP CC(C)=CC[N@@H+]1CCN(Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1CCO ZINC000020773824 570279892 /nfs/dbraw/zinc/27/98/92/570279892.db2.gz AGDXUJOKRDNERU-NRFANRHFSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@@H+](Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1CCO ZINC000020773824 570279897 /nfs/dbraw/zinc/27/98/97/570279897.db2.gz AGDXUJOKRDNERU-NRFANRHFSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@H+](Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1CCO ZINC000020773824 570279900 /nfs/dbraw/zinc/27/99/00/570279900.db2.gz AGDXUJOKRDNERU-NRFANRHFSA-N 2 1 375.557 2.462 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1 ZINC000020919761 570285010 /nfs/dbraw/zinc/28/50/10/570285010.db2.gz JHOXFASPJMFNOC-QFIPXVFZSA-N 2 1 383.536 2.354 50 0 GEAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cc(=O)n4nc[n-]c4n3)CC2)C1 ZINC000102029754 570286757 /nfs/dbraw/zinc/28/67/57/570286757.db2.gz HYJHPOPCJBXVKQ-SFHVURJKSA-N 2 1 392.507 2.119 50 0 GEAAMP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cc(=O)n4nc[n-]c4n3)CC2)C1 ZINC000102029754 570286761 /nfs/dbraw/zinc/28/67/61/570286761.db2.gz HYJHPOPCJBXVKQ-SFHVURJKSA-N 2 1 392.507 2.119 50 0 GEAAMP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000218882878 570342755 /nfs/dbraw/zinc/34/27/55/570342755.db2.gz HOFPLEVGHQMWQQ-NRFANRHFSA-N 2 1 380.496 2.070 50 0 GEAAMP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000218882878 570342759 /nfs/dbraw/zinc/34/27/59/570342759.db2.gz HOFPLEVGHQMWQQ-NRFANRHFSA-N 2 1 380.496 2.070 50 0 GEAAMP COc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023373248 570357877 /nfs/dbraw/zinc/35/78/77/570357877.db2.gz BUTWFZBOJIXXRE-NRFANRHFSA-N 2 1 375.557 2.437 50 0 GEAAMP COc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023373248 570357878 /nfs/dbraw/zinc/35/78/78/570357878.db2.gz BUTWFZBOJIXXRE-NRFANRHFSA-N 2 1 375.557 2.437 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012751688 570709735 /nfs/dbraw/zinc/70/97/35/570709735.db2.gz IQUGGQPTNVHIAE-SFHVURJKSA-N 2 1 377.529 2.365 50 0 GEAAMP COc1ccc(C[NH2+]CCCn2cccn2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015080150 570879571 /nfs/dbraw/zinc/87/95/71/570879571.db2.gz IHASUCBLXBTXGO-IBGZPJMESA-N 2 1 390.528 2.152 50 0 GEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091518663 571011898 /nfs/dbraw/zinc/01/18/98/571011898.db2.gz YFOWGGWFTYFXKU-QZTJIDSGSA-N 2 1 385.474 2.383 50 0 GEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091518663 571011901 /nfs/dbraw/zinc/01/19/01/571011901.db2.gz YFOWGGWFTYFXKU-QZTJIDSGSA-N 2 1 385.474 2.383 50 0 GEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091518663 571011904 /nfs/dbraw/zinc/01/19/04/571011904.db2.gz YFOWGGWFTYFXKU-QZTJIDSGSA-N 2 1 385.474 2.383 50 0 GEAAMP C[N@H+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@]12CCNC(=O)CC2 ZINC000091756054 571029740 /nfs/dbraw/zinc/02/97/40/571029740.db2.gz ZVDZWOVHMRWIGZ-FQEVSTJZSA-N 2 1 376.570 2.130 50 0 GEAAMP COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1C(C)C ZINC000095361050 571054964 /nfs/dbraw/zinc/05/49/64/571054964.db2.gz PLMPOFCRJWRKCO-NHCUHLMSSA-N 2 1 389.584 2.415 50 0 GEAAMP COc1ccc(C[NH+]2CCC(OC)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095496579 571073989 /nfs/dbraw/zinc/07/39/89/571073989.db2.gz AOXVKINZWCJVLN-GOSISDBHSA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(C[N@@H+](C)C2CCOCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095497076 571074478 /nfs/dbraw/zinc/07/44/78/571074478.db2.gz JRXGWNKBAJYAPS-LJQANCHMSA-N 2 1 378.513 2.142 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC(C)(C)C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095499476 571075321 /nfs/dbraw/zinc/07/53/21/571075321.db2.gz JVOIGOKLEWRWBA-IBGZPJMESA-N 2 1 393.572 2.160 50 0 GEAAMP COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095525280 571090216 /nfs/dbraw/zinc/09/02/16/571090216.db2.gz GRMYNGSXYFMCEN-LJQANCHMSA-N 2 1 391.556 2.057 50 0 GEAAMP C[N@@H+](CCCO)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526262 571090433 /nfs/dbraw/zinc/09/04/33/571090433.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000095526262 571090435 /nfs/dbraw/zinc/09/04/35/571090435.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000095526262 571090437 /nfs/dbraw/zinc/09/04/37/571090437.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012198233 204381104 /nfs/dbraw/zinc/38/11/04/204381104.db2.gz OAZOSSJWDHPADJ-OAQYLSRUSA-N 2 1 395.494 2.092 50 0 GEAAMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072120912 205305110 /nfs/dbraw/zinc/30/51/10/205305110.db2.gz DOSDBQXYHUFMFB-IBGZPJMESA-N 2 1 375.513 2.046 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082083663 205385697 /nfs/dbraw/zinc/38/56/97/205385697.db2.gz OHFCVGSSPWMTNG-NRFANRHFSA-N 3 1 398.595 2.008 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082083663 205385701 /nfs/dbraw/zinc/38/57/01/205385701.db2.gz OHFCVGSSPWMTNG-NRFANRHFSA-N 2 1 398.595 2.008 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082083663 205385706 /nfs/dbraw/zinc/38/57/06/205385706.db2.gz OHFCVGSSPWMTNG-NRFANRHFSA-N 2 1 398.595 2.008 50 0 GEAAMP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](Cc3ccccc3F)CC2)[C@@H](CO)C1 ZINC000097822891 570258218 /nfs/dbraw/zinc/25/82/18/570258218.db2.gz SSKLZEHGBZQGKW-GOSISDBHSA-N 2 1 378.488 2.285 50 0 GEAAMP CCOC(=O)C[N@H+]1CCC2(CC[NH+](Cc3ccccc3F)CC2)[C@@H](CO)C1 ZINC000097822891 570258221 /nfs/dbraw/zinc/25/82/21/570258221.db2.gz SSKLZEHGBZQGKW-GOSISDBHSA-N 2 1 378.488 2.285 50 0 GEAAMP COc1cc(O)ccc1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020453852 570258296 /nfs/dbraw/zinc/25/82/96/570258296.db2.gz VNRJOLNSWGJIMV-FQEVSTJZSA-N 2 1 391.556 2.142 50 0 GEAAMP COc1cc(O)ccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020453852 570258297 /nfs/dbraw/zinc/25/82/97/570258297.db2.gz VNRJOLNSWGJIMV-FQEVSTJZSA-N 2 1 391.556 2.142 50 0 GEAAMP C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023352270 570355848 /nfs/dbraw/zinc/35/58/48/570355848.db2.gz XUNLVGGZMBBIIQ-DHIUTWEWSA-N 2 1 398.595 2.037 50 0 GEAAMP CCn1nc(C)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000023359662 570356441 /nfs/dbraw/zinc/35/64/41/570356441.db2.gz MWMDJQGPUQYWQY-NRFANRHFSA-N 2 1 391.604 2.261 50 0 GEAAMP CCn1nc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000023359662 570356442 /nfs/dbraw/zinc/35/64/42/570356442.db2.gz MWMDJQGPUQYWQY-NRFANRHFSA-N 2 1 391.604 2.261 50 0 GEAAMP Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000237747813 570393691 /nfs/dbraw/zinc/39/36/91/570393691.db2.gz UVNHGKICELNARQ-UHFFFAOYSA-N 2 1 396.539 2.248 50 0 GEAAMP Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000237747813 570393693 /nfs/dbraw/zinc/39/36/93/570393693.db2.gz UVNHGKICELNARQ-UHFFFAOYSA-N 2 1 396.539 2.248 50 0 GEAAMP CCC[NH+]1CCN(C(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000065255751 570753755 /nfs/dbraw/zinc/75/37/55/570753755.db2.gz HVJMTJAAYDLGPF-OAQYLSRUSA-N 2 1 393.535 2.400 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747516 570858943 /nfs/dbraw/zinc/85/89/43/570858943.db2.gz OARLJECWCOPVTQ-IOMROCGXSA-N 2 1 385.552 2.380 50 0 GEAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058389 /nfs/dbraw/zinc/05/83/89/571058389.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 2 1 397.567 2.083 50 0 GEAAMP COc1ccc(C[N@@H+](C)C2CCOCC2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095498189 571074938 /nfs/dbraw/zinc/07/49/38/571074938.db2.gz OAAFIPNZVZJSPZ-LJQANCHMSA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(C[NH+](C)C2CCOCC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095498189 571074939 /nfs/dbraw/zinc/07/49/39/571074939.db2.gz OAAFIPNZVZJSPZ-LJQANCHMSA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(C[NH+](C)C2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095498189 571074940 /nfs/dbraw/zinc/07/49/40/571074940.db2.gz OAAFIPNZVZJSPZ-LJQANCHMSA-N 2 1 380.529 2.386 50 0 GEAAMP CC[N@@H+](CCO)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095503680 571077471 /nfs/dbraw/zinc/07/74/71/571077471.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095503680 571077473 /nfs/dbraw/zinc/07/74/73/571077473.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095503680 571077476 /nfs/dbraw/zinc/07/74/76/571077476.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 ZINC000095512536 571083002 /nfs/dbraw/zinc/08/30/02/571083002.db2.gz YEYAHNQOHUKCID-QGZVFWFLSA-N 2 1 380.500 2.195 50 0 GEAAMP O[C@@H](COc1ccc(C[NH+]2CCC(O)CC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000095517000 571084417 /nfs/dbraw/zinc/08/44/17/571084417.db2.gz KWPOQVTTWISEKF-HSZRJFAPSA-N 2 1 396.531 2.441 50 0 GEAAMP CC[N@H+]1CCCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000095518926 571085679 /nfs/dbraw/zinc/08/56/79/571085679.db2.gz XCKZTTMFKSVJQH-HXUWFJFHSA-N 2 1 393.597 2.003 50 0 GEAAMP CCOCC(=O)N(Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095519873 571086021 /nfs/dbraw/zinc/08/60/21/571086021.db2.gz YUNFRQSXSPJJJL-UHFFFAOYSA-N 2 1 388.556 2.253 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccccn1 ZINC000011766276 204353432 /nfs/dbraw/zinc/35/34/32/204353432.db2.gz HRPFGCCQGAPISB-FQEVSTJZSA-N 2 1 388.556 2.367 50 0 GEAAMP C[NH+]1CCC2(CC[N@@H+](C[C@]3(O)CCCN(CCc4ccccc4)C3=O)C2)CC1 ZINC000067775001 205260493 /nfs/dbraw/zinc/26/04/93/205260493.db2.gz YRZVSKNOJKSKDZ-HSZRJFAPSA-N 2 1 385.552 2.000 50 0 GEAAMP CCN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748279 205289178 /nfs/dbraw/zinc/28/91/78/205289178.db2.gz UPERKZUTCWPCRW-OAQYLSRUSA-N 2 1 387.568 2.246 50 0 GEAAMP CCN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748279 205289184 /nfs/dbraw/zinc/28/91/84/205289184.db2.gz UPERKZUTCWPCRW-OAQYLSRUSA-N 2 1 387.568 2.246 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000071752407 205290922 /nfs/dbraw/zinc/29/09/22/205290922.db2.gz CFRBHRCBWRSIBU-HDICACEKSA-N 2 1 382.512 2.162 50 0 GEAAMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)Cc2ccccc2C1 ZINC000072295405 205320243 /nfs/dbraw/zinc/32/02/43/205320243.db2.gz QPOGCSUOZGXSMX-JOCHJYFZSA-N 2 1 393.531 2.103 50 0 GEAAMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)Cc2ccccc2C1 ZINC000072295405 205320248 /nfs/dbraw/zinc/32/02/48/205320248.db2.gz QPOGCSUOZGXSMX-JOCHJYFZSA-N 2 1 393.531 2.103 50 0 GEAAMP COc1cc(CNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000072480631 205355526 /nfs/dbraw/zinc/35/55/26/205355526.db2.gz WMAWGXXJFOVCRO-QGZVFWFLSA-N 2 1 375.513 2.173 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(O)c(OC)c1)CC[NH+](C)CC2 ZINC000072418765 205347242 /nfs/dbraw/zinc/34/72/42/205347242.db2.gz WGVMBVFFRMGCMR-QGZVFWFLSA-N 2 1 375.513 2.213 50 0 GEAAMP C[NH2+][C@@H](C)C(=O)N1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077471813 205364612 /nfs/dbraw/zinc/36/46/12/205364612.db2.gz XJCRTEMCOZMBIZ-KRWDZBQOSA-N 2 1 394.560 2.062 50 0 GEAAMP CCNc1cc[nH+]c(N2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095352209 535527545 /nfs/dbraw/zinc/52/75/45/535527545.db2.gz VTTMUQQACWBWSS-OPYAIIAOSA-N 2 1 389.544 2.252 50 0 GEAAMP CC[NH+]1CCN(C(=O)c2c(C)n(C3CC[NH+](C)CC3)nc2C(F)(F)F)CC1 ZINC000049362586 570262915 /nfs/dbraw/zinc/26/29/15/570262915.db2.gz KSMIIMCERIRPRQ-UHFFFAOYSA-N 2 1 387.450 2.255 50 0 GEAAMP CCN(CC)CC[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000020996113 570286792 /nfs/dbraw/zinc/28/67/92/570286792.db2.gz ZAAKJQDJHRYWQN-IBGZPJMESA-N 2 1 381.561 2.207 50 0 GEAAMP CC[NH+](CC)CCNCc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000020996113 570286795 /nfs/dbraw/zinc/28/67/95/570286795.db2.gz ZAAKJQDJHRYWQN-IBGZPJMESA-N 2 1 381.561 2.207 50 0 GEAAMP CC[NH+](CC)CCNCc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000020996113 570286799 /nfs/dbraw/zinc/28/67/99/570286799.db2.gz ZAAKJQDJHRYWQN-IBGZPJMESA-N 2 1 381.561 2.207 50 0 GEAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000218882803 570342774 /nfs/dbraw/zinc/34/27/74/570342774.db2.gz HOFPLEVGHQMWQQ-OAQYLSRUSA-N 2 1 380.496 2.070 50 0 GEAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000218882803 570342776 /nfs/dbraw/zinc/34/27/76/570342776.db2.gz HOFPLEVGHQMWQQ-OAQYLSRUSA-N 2 1 380.496 2.070 50 0 GEAAMP Cc1c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237532132 570378217 /nfs/dbraw/zinc/37/82/17/570378217.db2.gz JGJFTMKCZQTHEC-QGZVFWFLSA-N 2 1 396.539 2.248 50 0 GEAAMP CSCCC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000019217771 570962362 /nfs/dbraw/zinc/96/23/62/570962362.db2.gz FNDPKZJPPWSSOY-IBGZPJMESA-N 2 1 383.602 2.211 50 0 GEAAMP CC[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1)C1CC1 ZINC000095503898 571077607 /nfs/dbraw/zinc/07/76/07/571077607.db2.gz ZXNXELXLQDWYMF-SFHVURJKSA-N 2 1 380.554 2.468 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095508459 571080366 /nfs/dbraw/zinc/08/03/66/571080366.db2.gz CNLJNNMMQCXWOJ-HXUWFJFHSA-N 2 1 392.540 2.389 50 0 GEAAMP CC[N@@H+](CCO)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095528688 571091985 /nfs/dbraw/zinc/09/19/85/571091985.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095528688 571091986 /nfs/dbraw/zinc/09/19/86/571091986.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095528688 571091989 /nfs/dbraw/zinc/09/19/89/571091989.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP COc1ccc(C[N@@H+](C)CCO)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000039442381 205041785 /nfs/dbraw/zinc/04/17/85/205041785.db2.gz BFAVZHNITANUBS-IBGZPJMESA-N 2 1 380.529 2.125 50 0 GEAAMP Cc1ccc(C2(C[N@@H+]3CCC[C@H](C(=O)c4nccn4C)C3)CC[NH2+]CC2)nc1 ZINC000065384221 205233551 /nfs/dbraw/zinc/23/35/51/205233551.db2.gz KHLZPYYLJXAEHX-SFHVURJKSA-N 2 1 381.524 2.340 50 0 GEAAMP O=C([C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763448 205296174 /nfs/dbraw/zinc/29/61/74/205296174.db2.gz OSSGPVNFTGFIQZ-QFIPXVFZSA-N 2 1 398.595 2.227 50 0 GEAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763448 205296177 /nfs/dbraw/zinc/29/61/77/205296177.db2.gz OSSGPVNFTGFIQZ-QFIPXVFZSA-N 3 1 398.595 2.227 50 0 GEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763448 205296181 /nfs/dbraw/zinc/29/61/81/205296181.db2.gz OSSGPVNFTGFIQZ-QFIPXVFZSA-N 3 1 398.595 2.227 50 0 GEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072432674 205351356 /nfs/dbraw/zinc/35/13/56/205351356.db2.gz DEBKLSJPDICJQI-UHFFFAOYSA-N 2 1 378.480 2.120 50 0 GEAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1)CC[NH2+]CC2 ZINC000072469924 205354035 /nfs/dbraw/zinc/35/40/35/205354035.db2.gz DZPGLRIBWCEIOT-HXUWFJFHSA-N 2 1 379.508 2.079 50 0 GEAAMP CCC[N@@H+](C)Cc1cc2n(n1)CCN(C(=O)c1ccccc1[C@@H]1CC[NH2+]C1)C2 ZINC000072425807 205349497 /nfs/dbraw/zinc/34/94/97/205349497.db2.gz XQRVZWQVCXECGV-QGZVFWFLSA-N 2 1 381.524 2.458 50 0 GEAAMP Cc1noc(C)c1CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096153631 205536164 /nfs/dbraw/zinc/53/61/64/205536164.db2.gz MKFOFWLMTVJGQF-DENIHFKCSA-N 2 1 382.508 2.062 50 0 GEAAMP [NH3+][C@H]1C[C@@H](c2nnc(C[NH+]3CCC(CCN4CCCC4=O)CC3)n2C2CC2)C1 ZINC000244659667 206128827 /nfs/dbraw/zinc/12/88/27/206128827.db2.gz HGUOYLOWDQSRRA-CALCHBBNSA-N 2 1 386.544 2.042 50 0 GEAAMP O=C1CCCN1C[C@H]1CCC[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244690834 206130583 /nfs/dbraw/zinc/13/05/83/206130583.db2.gz IXSQUOHVLARDTK-QFIPXVFZSA-N 2 1 384.568 2.139 50 0 GEAAMP CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)cn1 ZINC000012073224 221146875 /nfs/dbraw/zinc/14/68/75/221146875.db2.gz NNRODNCWXLCWJJ-LJQANCHMSA-N 2 1 390.528 2.281 50 0 GEAAMP Cc1c(C[NH+]2CCC3(CN(CC[N@H+](C)CC(C)C)C(=O)O3)CC2)cnn1C ZINC000072477533 222265805 /nfs/dbraw/zinc/26/58/05/222265805.db2.gz QBFFTYGZNYMVLG-UHFFFAOYSA-N 2 1 377.533 2.103 50 0 GEAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000096137790 570212290 /nfs/dbraw/zinc/21/22/90/570212290.db2.gz HHIFAUDBWBTZDS-UHFFFAOYSA-N 2 1 382.516 2.273 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1ccccn1)C[C@H]2CO ZINC000097402329 570243486 /nfs/dbraw/zinc/24/34/86/570243486.db2.gz FVXSFJAXIGUPKC-IBGZPJMESA-N 2 1 383.540 2.395 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccccn1)C[C@H]2CO ZINC000097402329 570243489 /nfs/dbraw/zinc/24/34/89/570243489.db2.gz FVXSFJAXIGUPKC-IBGZPJMESA-N 2 1 383.540 2.395 50 0 GEAAMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC000097447047 570243873 /nfs/dbraw/zinc/24/38/73/570243873.db2.gz RGVDYWASFURDJF-GOSISDBHSA-N 2 1 377.504 2.469 50 0 GEAAMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC000097447047 570243875 /nfs/dbraw/zinc/24/38/75/570243875.db2.gz RGVDYWASFURDJF-GOSISDBHSA-N 2 1 377.504 2.469 50 0 GEAAMP Cc1nn(C)cc1C[N@H+]1CCC2(CC[NH+](Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097514987 570245356 /nfs/dbraw/zinc/24/53/56/570245356.db2.gz HBWNRTNUARFRJR-NRFANRHFSA-N 2 1 383.540 2.220 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1ccc(CNCC[NH+]2CCCCC2)cc1OC ZINC000020534139 570265700 /nfs/dbraw/zinc/26/57/00/570265700.db2.gz IPKIQTQKEQUOJM-FQEVSTJZSA-N 2 1 393.572 2.352 50 0 GEAAMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903077 570270419 /nfs/dbraw/zinc/27/04/19/570270419.db2.gz JFMUITBWDQSMCP-SFHVURJKSA-N 2 1 383.496 2.418 50 0 GEAAMP Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](Cn4cc(C[NH3+])nn4)C3)c2)n1 ZINC000023399191 570360870 /nfs/dbraw/zinc/36/08/70/570360870.db2.gz FNAPORMFLOPYMA-IBGZPJMESA-N 2 1 379.512 2.452 50 0 GEAAMP CC(C)[C@H]1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)CCC[N@H+]1CC1CC1 ZINC000244708192 570433200 /nfs/dbraw/zinc/43/32/00/570433200.db2.gz KPGVAIBIMYUILZ-WSTZPKSXSA-N 2 1 388.560 2.303 50 0 GEAAMP CC[NH+](CC)CCSCC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301482 570504854 /nfs/dbraw/zinc/50/48/54/570504854.db2.gz WDRBSJJPDUWLEO-IBGZPJMESA-N 2 1 392.613 2.388 50 0 GEAAMP CCC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000065255909 570754402 /nfs/dbraw/zinc/75/44/02/570754402.db2.gz AALWSINTCDPQEP-NRFANRHFSA-N 2 1 393.535 2.400 50 0 GEAAMP Cc1cc(C)n(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000015066193 570875723 /nfs/dbraw/zinc/87/57/23/570875723.db2.gz LPDMVCXVCAKZQX-LJQANCHMSA-N 2 1 375.561 2.201 50 0 GEAAMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108421030 570988391 /nfs/dbraw/zinc/98/83/91/570988391.db2.gz DUAFGBVLGSGNJS-KRWDZBQOSA-N 2 1 389.931 2.369 50 0 GEAAMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108421030 570988396 /nfs/dbraw/zinc/98/83/96/570988396.db2.gz DUAFGBVLGSGNJS-KRWDZBQOSA-N 2 1 389.931 2.369 50 0 GEAAMP CCN1CCc2nc[nH]c2C12CCN(C(=O)CN1Cc3ccccc3C1)CC2 ZINC000091381197 571005236 /nfs/dbraw/zinc/00/52/36/571005236.db2.gz ZODMBWCSJWQWFC-UHFFFAOYSA-N 2 1 379.508 2.121 50 0 GEAAMP COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000091435177 571007421 /nfs/dbraw/zinc/00/74/21/571007421.db2.gz LFBLAARSBCOLML-ZWKOTPCHSA-N 2 1 377.554 2.413 50 0 GEAAMP CCOCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091747068 571029469 /nfs/dbraw/zinc/02/94/69/571029469.db2.gz JLVYDEQHIJXOIT-NRFANRHFSA-N 2 1 399.579 2.483 50 0 GEAAMP CC1(C)C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091915272 571036138 /nfs/dbraw/zinc/03/61/38/571036138.db2.gz IKXUDJOICXZWOY-QFIPXVFZSA-N 2 1 384.524 2.168 50 0 GEAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]2CO)CC1 ZINC000095358618 571053738 /nfs/dbraw/zinc/05/37/38/571053738.db2.gz QMMSZUNYMVHKMR-QZTJIDSGSA-N 2 1 387.499 2.373 50 0 GEAAMP CCc1[nH+]ccn1CCNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000095501507 571076702 /nfs/dbraw/zinc/07/67/02/571076702.db2.gz BKDZOPSQTCYIJS-UHFFFAOYSA-N 2 1 386.496 2.357 50 0 GEAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C(C)(C)[NH3+] ZINC000095506795 571079522 /nfs/dbraw/zinc/07/95/22/571079522.db2.gz GKVHCQOGUCKXKL-QGZVFWFLSA-N 3 1 378.536 2.165 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095508460 571080305 /nfs/dbraw/zinc/08/03/05/571080305.db2.gz CNLJNNMMQCXWOJ-FQEVSTJZSA-N 2 1 392.540 2.389 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000095525414 571090161 /nfs/dbraw/zinc/09/01/61/571090161.db2.gz GUTNCOVXTNYDGY-LJQANCHMSA-N 2 1 393.572 2.303 50 0 GEAAMP CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011818110 204353616 /nfs/dbraw/zinc/35/36/16/204353616.db2.gz NHEUFEXDVMWRAW-JOCHJYFZSA-N 2 1 399.535 2.300 50 0 GEAAMP COc1cc(C[N@H+](C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000011873282 204359438 /nfs/dbraw/zinc/35/94/38/204359438.db2.gz KXUZYYHVWPRGCD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[N@@H+](C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000011873282 204359440 /nfs/dbraw/zinc/35/94/40/204359440.db2.gz KXUZYYHVWPRGCD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH+](C)Cc2ccncn2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011873282 204359445 /nfs/dbraw/zinc/35/94/45/204359445.db2.gz KXUZYYHVWPRGCD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH+](C)Cc2ccncn2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011873282 204359449 /nfs/dbraw/zinc/35/94/49/204359449.db2.gz KXUZYYHVWPRGCD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[NH2+][C@@H](c4ccccc4)C3)cnn2c1 ZINC000067884894 205266144 /nfs/dbraw/zinc/26/61/44/205266144.db2.gz ZBPAUWOFNIUQRX-HXUWFJFHSA-N 2 1 392.507 2.358 50 0 GEAAMP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067975765 205270462 /nfs/dbraw/zinc/27/04/62/205270462.db2.gz WKXKKUGSONITSA-HSZRJFAPSA-N 2 1 387.568 2.435 50 0 GEAAMP COc1ccc(-n2cccn2)c(C[N@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067561605 205248341 /nfs/dbraw/zinc/24/83/41/205248341.db2.gz KDNQHQWQMWGUKS-UHFFFAOYSA-N 2 1 383.540 2.483 50 0 GEAAMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072120911 205304766 /nfs/dbraw/zinc/30/47/66/205304766.db2.gz DOSDBQXYHUFMFB-LJQANCHMSA-N 2 1 375.513 2.046 50 0 GEAAMP Cc1nnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000071768058 205295930 /nfs/dbraw/zinc/29/59/30/205295930.db2.gz UNTWYSZXYRIVTJ-LJQANCHMSA-N 2 1 396.539 2.106 50 0 GEAAMP Cc1nnc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000071768058 205295933 /nfs/dbraw/zinc/29/59/33/205295933.db2.gz UNTWYSZXYRIVTJ-LJQANCHMSA-N 2 1 396.539 2.106 50 0 GEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000072146316 205309796 /nfs/dbraw/zinc/30/97/96/205309796.db2.gz WOELJGSODREAGX-NJYVYQBISA-N 2 1 376.545 2.068 50 0 GEAAMP COc1cc(CNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000072480630 205354628 /nfs/dbraw/zinc/35/46/28/205354628.db2.gz WMAWGXXJFOVCRO-KRWDZBQOSA-N 2 1 375.513 2.173 50 0 GEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407830 205346086 /nfs/dbraw/zinc/34/60/86/205346086.db2.gz QFGWMHHMZGPQKT-IBGZPJMESA-N 3 1 380.577 2.251 50 0 GEAAMP CC(C)C[N@H+](C)CCCN1CC2(CCN(C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407830 205346092 /nfs/dbraw/zinc/34/60/92/205346092.db2.gz QFGWMHHMZGPQKT-IBGZPJMESA-N 2 1 380.577 2.251 50 0 GEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407830 205346096 /nfs/dbraw/zinc/34/60/96/205346096.db2.gz QFGWMHHMZGPQKT-IBGZPJMESA-N 2 1 380.577 2.251 50 0 GEAAMP COCC[N@H+](C)C[C@@H]1C[NH+](C2CCN(c3cccc(C)c3)CC2)C[C@@H]1CO ZINC000095388342 136178898 /nfs/dbraw/zinc/17/88/98/136178898.db2.gz LPHUYJZRBGLBAW-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](C2CCN(c3cccc(C)c3)CC2)C[C@@H]1CO ZINC000095388342 136178899 /nfs/dbraw/zinc/17/88/99/136178899.db2.gz LPHUYJZRBGLBAW-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COCC[NH+](C)C[C@@H]1C[N@@H+](C2CCN(c3cccc(C)c3)CC2)C[C@@H]1CO ZINC000095388342 136178900 /nfs/dbraw/zinc/17/89/00/136178900.db2.gz LPHUYJZRBGLBAW-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COCC[NH+](C)C[C@@H]1C[N@H+](C2CCN(c3cccc(C)c3)CC2)C[C@@H]1CO ZINC000095388342 136178901 /nfs/dbraw/zinc/17/89/01/136178901.db2.gz LPHUYJZRBGLBAW-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)c(C)c1C ZINC000106955743 136191646 /nfs/dbraw/zinc/19/16/46/136191646.db2.gz ICJBFFQTNIIUTE-SFHVURJKSA-N 2 1 385.512 2.066 50 0 GEAAMP CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1ccccc1Cl ZINC000020321860 570252326 /nfs/dbraw/zinc/25/23/26/570252326.db2.gz RXDYICMWJMTYPE-ICSRJNTNSA-N 2 1 392.975 2.491 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH+](C)Cc1ccco1)C2 ZINC000020386954 570253905 /nfs/dbraw/zinc/25/39/05/570253905.db2.gz ZHGVIUSHYWIISJ-KRWDZBQOSA-N 2 1 399.539 2.263 50 0 GEAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@H]([N@H+](C)Cc1ccco1)C2 ZINC000020386954 570253910 /nfs/dbraw/zinc/25/39/10/570253910.db2.gz ZHGVIUSHYWIISJ-KRWDZBQOSA-N 2 1 399.539 2.263 50 0 GEAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@H]([N@@H+](C)Cc1ccco1)C2 ZINC000020386954 570253911 /nfs/dbraw/zinc/25/39/11/570253911.db2.gz ZHGVIUSHYWIISJ-KRWDZBQOSA-N 2 1 399.539 2.263 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000020538754 570266263 /nfs/dbraw/zinc/26/62/63/570266263.db2.gz FSMJRABDWYHXMB-QGZVFWFLSA-N 2 1 375.561 2.174 50 0 GEAAMP O=C(NC1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584901288 570270740 /nfs/dbraw/zinc/27/07/40/570270740.db2.gz OUYGHIPHUXMLRL-UHFFFAOYSA-N 2 1 386.540 2.157 50 0 GEAAMP COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000034668506 570293170 /nfs/dbraw/zinc/29/31/70/570293170.db2.gz ZBHRXADQDRFBST-UHFFFAOYSA-N 2 1 396.535 2.309 50 0 GEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000426628371 570503136 /nfs/dbraw/zinc/50/31/36/570503136.db2.gz ZIAZFGMJIKZAQU-LJQANCHMSA-N 2 1 381.524 2.003 50 0 GEAAMP CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014976740 570868509 /nfs/dbraw/zinc/86/85/09/570868509.db2.gz HWSXTVRQJQLADZ-IBGZPJMESA-N 2 1 391.531 2.261 50 0 GEAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014976740 570868512 /nfs/dbraw/zinc/86/85/12/570868512.db2.gz HWSXTVRQJQLADZ-IBGZPJMESA-N 2 1 391.531 2.261 50 0 GEAAMP CSCCC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000019217778 570962393 /nfs/dbraw/zinc/96/23/93/570962393.db2.gz FNDPKZJPPWSSOY-LJQANCHMSA-N 2 1 383.602 2.211 50 0 GEAAMP C[N@@H+](CCC(N)=O)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095500015 571075875 /nfs/dbraw/zinc/07/58/75/571075875.db2.gz MDILXBMZTOZMED-SFHVURJKSA-N 2 1 397.947 2.263 50 0 GEAAMP COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095504752 571077944 /nfs/dbraw/zinc/07/79/44/571077944.db2.gz SPGIYOLGTAKSIC-LJQANCHMSA-N 2 1 380.529 2.386 50 0 GEAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095504752 571077946 /nfs/dbraw/zinc/07/79/46/571077946.db2.gz SPGIYOLGTAKSIC-LJQANCHMSA-N 2 1 380.529 2.386 50 0 GEAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095504752 571077950 /nfs/dbraw/zinc/07/79/50/571077950.db2.gz SPGIYOLGTAKSIC-LJQANCHMSA-N 2 1 380.529 2.386 50 0 GEAAMP C[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088291 /nfs/dbraw/zinc/08/82/91/571088291.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 2 1 395.547 2.232 50 0 GEAAMP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095524665 571089691 /nfs/dbraw/zinc/08/96/91/571089691.db2.gz WVFXZBXHWHCOBP-GOSISDBHSA-N 2 1 380.529 2.386 50 0 GEAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1c[nH]cn1 ZINC000095530519 571092918 /nfs/dbraw/zinc/09/29/18/571092918.db2.gz QUVPROYLDXPCPW-KRWDZBQOSA-N 2 1 387.503 2.465 50 0 GEAAMP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnc[nH]1 ZINC000095530519 571092919 /nfs/dbraw/zinc/09/29/19/571092919.db2.gz QUVPROYLDXPCPW-KRWDZBQOSA-N 2 1 387.503 2.465 50 0 GEAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnc[nH]1 ZINC000095530519 571092920 /nfs/dbraw/zinc/09/29/20/571092920.db2.gz QUVPROYLDXPCPW-KRWDZBQOSA-N 2 1 387.503 2.465 50 0 GEAAMP CN(CCC[NH+]1CCCCC1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000011816116 204353773 /nfs/dbraw/zinc/35/37/73/204353773.db2.gz KUPDWFKTUBJFRZ-FQEVSTJZSA-N 2 1 392.588 2.092 50 0 GEAAMP CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000058341128 205172953 /nfs/dbraw/zinc/17/29/53/205172953.db2.gz CMBQOSYMQDIVBV-QGZVFWFLSA-N 2 1 383.558 2.122 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071753934 205290587 /nfs/dbraw/zinc/29/05/87/205290587.db2.gz MXTXUZPKGKTFFB-NRFANRHFSA-N 3 1 398.595 2.008 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071753934 205290592 /nfs/dbraw/zinc/29/05/92/205290592.db2.gz MXTXUZPKGKTFFB-NRFANRHFSA-N 2 1 398.595 2.008 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071753934 205290597 /nfs/dbraw/zinc/29/05/97/205290597.db2.gz MXTXUZPKGKTFFB-NRFANRHFSA-N 2 1 398.595 2.008 50 0 GEAAMP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009135 205278809 /nfs/dbraw/zinc/27/88/09/205278809.db2.gz LFALGAOBICEHMR-SFTDATJTSA-N 2 1 388.556 2.157 50 0 GEAAMP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009135 205278812 /nfs/dbraw/zinc/27/88/12/205278812.db2.gz LFALGAOBICEHMR-SFTDATJTSA-N 2 1 388.556 2.157 50 0 GEAAMP CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)[nH]1 ZINC000072435032 205351857 /nfs/dbraw/zinc/35/18/57/205351857.db2.gz GPUBEPXCRNOKST-GOEBONIOSA-N 2 1 381.952 2.438 50 0 GEAAMP CCCCc1nc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)[nH]1 ZINC000072435032 205351860 /nfs/dbraw/zinc/35/18/60/205351860.db2.gz GPUBEPXCRNOKST-GOEBONIOSA-N 2 1 381.952 2.438 50 0 GEAAMP CCOc1c(CN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cccc1OC ZINC000072438541 205352748 /nfs/dbraw/zinc/35/27/48/205352748.db2.gz LNZUZQIKLDCFKV-KRWDZBQOSA-N 2 1 375.513 2.126 50 0 GEAAMP Cc1ccc(OC2(C(=O)NC[C@H](c3ccccn3)[NH+](C)C)CC[NH2+]CC2)cc1 ZINC000077301077 205358975 /nfs/dbraw/zinc/35/89/75/205358975.db2.gz ZSLCMBYQTLPWNY-HXUWFJFHSA-N 2 1 382.508 2.310 50 0 GEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407829 205345309 /nfs/dbraw/zinc/34/53/09/205345309.db2.gz QFGWMHHMZGPQKT-LJQANCHMSA-N 3 1 380.577 2.251 50 0 GEAAMP CC(C)C[N@H+](C)CCCN1CC2(CCN(C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407829 205345314 /nfs/dbraw/zinc/34/53/14/205345314.db2.gz QFGWMHHMZGPQKT-LJQANCHMSA-N 2 1 380.577 2.251 50 0 GEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407829 205345318 /nfs/dbraw/zinc/34/53/18/205345318.db2.gz QFGWMHHMZGPQKT-LJQANCHMSA-N 2 1 380.577 2.251 50 0 GEAAMP COCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072407651 205345974 /nfs/dbraw/zinc/34/59/74/205345974.db2.gz AZZRBLPWVPUOJL-SFHVURJKSA-N 2 1 379.932 2.389 50 0 GEAAMP CCn1c(CN2CCC[N@@H+](Cc3cccc(F)c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244723842 206131654 /nfs/dbraw/zinc/13/16/54/206131654.db2.gz MIJBWJCMUVKRTA-IZAXUBKRSA-N 2 1 386.519 2.350 50 0 GEAAMP CC(=O)NCc1ccc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)nc1 ZINC000095519250 136180923 /nfs/dbraw/zinc/18/09/23/136180923.db2.gz OTORVWATQTVITB-UHFFFAOYSA-N 2 1 384.528 2.250 50 0 GEAAMP Cc1[nH+]ccn1CC[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000096163624 570217410 /nfs/dbraw/zinc/21/74/10/570217410.db2.gz FZCFOUGUZZDTFF-UHFFFAOYSA-N 2 1 380.500 2.242 50 0 GEAAMP Cc1noc(C)c1C[N@@H+]1CCC2(CC[NH+](Cc3cncn3C)CC2)[C@H](CO)C1 ZINC000097334308 570241744 /nfs/dbraw/zinc/24/17/44/570241744.db2.gz FQRHPWAOHRJTHP-SFHVURJKSA-N 2 1 387.528 2.122 50 0 GEAAMP C[NH+]1CCC(OCCCNC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000584884595 570473991 /nfs/dbraw/zinc/47/39/91/570473991.db2.gz NHUCOKPIAKYUKZ-UHFFFAOYSA-N 2 1 388.556 2.057 50 0 GEAAMP COc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012459193 570736568 /nfs/dbraw/zinc/73/65/68/570736568.db2.gz MPFVMQTVYZDDAI-LJQANCHMSA-N 2 1 390.528 2.107 50 0 GEAAMP COc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012459193 570736570 /nfs/dbraw/zinc/73/65/70/570736570.db2.gz MPFVMQTVYZDDAI-LJQANCHMSA-N 2 1 390.528 2.107 50 0 GEAAMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511646 570982027 /nfs/dbraw/zinc/98/20/27/570982027.db2.gz IZUIPSQIWPNMNJ-FCEUIQTBSA-N 2 1 398.595 2.181 50 0 GEAAMP C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511646 570982030 /nfs/dbraw/zinc/98/20/30/570982030.db2.gz IZUIPSQIWPNMNJ-FCEUIQTBSA-N 2 1 398.595 2.181 50 0 GEAAMP OC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091475503 571010471 /nfs/dbraw/zinc/01/04/71/571010471.db2.gz QOXUSCYIYZWMCO-QZTJIDSGSA-N 2 1 386.458 2.450 50 0 GEAAMP OC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091475503 571010473 /nfs/dbraw/zinc/01/04/73/571010473.db2.gz QOXUSCYIYZWMCO-QZTJIDSGSA-N 2 1 386.458 2.450 50 0 GEAAMP Cc1c2cc(C)ccc2[nH]c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091650611 571022518 /nfs/dbraw/zinc/02/25/18/571022518.db2.gz TXXSTBDFXPUQAM-WOJBJXKFSA-N 2 1 384.568 2.463 50 0 GEAAMP Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091650611 571022522 /nfs/dbraw/zinc/02/25/22/571022522.db2.gz TXXSTBDFXPUQAM-WOJBJXKFSA-N 2 1 384.568 2.463 50 0 GEAAMP Cc1c2cc(C)ccc2[nH]c1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091650611 571022526 /nfs/dbraw/zinc/02/25/26/571022526.db2.gz TXXSTBDFXPUQAM-WOJBJXKFSA-N 2 1 384.568 2.463 50 0 GEAAMP COc1ccc(C[N@@H+](C)C2CCOCC2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095498188 571074945 /nfs/dbraw/zinc/07/49/45/571074945.db2.gz OAAFIPNZVZJSPZ-IBGZPJMESA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(C[NH+](C)C2CCOCC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095498188 571074946 /nfs/dbraw/zinc/07/49/46/571074946.db2.gz OAAFIPNZVZJSPZ-IBGZPJMESA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(C[NH+](C)C2CCOCC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095498188 571074947 /nfs/dbraw/zinc/07/49/47/571074947.db2.gz OAAFIPNZVZJSPZ-IBGZPJMESA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000095506280 571078820 /nfs/dbraw/zinc/07/88/20/571078820.db2.gz PLEHJRKJWUEOGY-SFHVURJKSA-N 2 1 378.513 2.142 50 0 GEAAMP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000095506280 571078823 /nfs/dbraw/zinc/07/88/23/571078823.db2.gz PLEHJRKJWUEOGY-SFHVURJKSA-N 2 1 378.513 2.142 50 0 GEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)CC1 ZINC000006843146 204214491 /nfs/dbraw/zinc/21/44/91/204214491.db2.gz WODUITHSECVQEF-UHFFFAOYSA-N 2 1 375.513 2.080 50 0 GEAAMP Cc1ccnc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000012245747 204386985 /nfs/dbraw/zinc/38/69/85/204386985.db2.gz IOVVIPVHJCUJKI-MOPGFXCFSA-N 2 1 399.564 2.198 50 0 GEAAMP Cc1ccnc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)[N@H+](Cc3ccccc3)C2)n1 ZINC000012245747 204386988 /nfs/dbraw/zinc/38/69/88/204386988.db2.gz IOVVIPVHJCUJKI-MOPGFXCFSA-N 2 1 399.564 2.198 50 0 GEAAMP C[C@H]1CCC[N@@H+](CCOc2ccc(C[NH2+]CCN3CCC(O)CC3)cc2)C1 ZINC000055360728 205147752 /nfs/dbraw/zinc/14/77/52/205147752.db2.gz WHWZXPVEUIBULW-IBGZPJMESA-N 2 1 375.557 2.344 50 0 GEAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cnn2c1 ZINC000067756931 205258791 /nfs/dbraw/zinc/25/87/91/205258791.db2.gz MEHNKNVVYNWUHG-MRXNPFEDSA-N 2 1 384.528 2.270 50 0 GEAAMP CCCN(Cc1nccn1C)C(=O)[C@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072422255 205349433 /nfs/dbraw/zinc/34/94/33/205349433.db2.gz VOCPMQCDEPDMHY-GOSISDBHSA-N 2 1 375.561 2.355 50 0 GEAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cc(=O)n4nc[n-]c4n3)CC2)C1 ZINC000102029748 570286784 /nfs/dbraw/zinc/28/67/84/570286784.db2.gz HYJHPOPCJBXVKQ-GOSISDBHSA-N 2 1 392.507 2.119 50 0 GEAAMP C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cc(=O)n4nc[n-]c4n3)CC2)C1 ZINC000102029748 570286785 /nfs/dbraw/zinc/28/67/85/570286785.db2.gz HYJHPOPCJBXVKQ-GOSISDBHSA-N 2 1 392.507 2.119 50 0 GEAAMP CCCn1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)n1 ZINC000022852940 570331463 /nfs/dbraw/zinc/33/14/63/570331463.db2.gz SSJZAIJQECWXAP-JOCHJYFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CCCn1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)n1 ZINC000022852940 570331467 /nfs/dbraw/zinc/33/14/67/570331467.db2.gz SSJZAIJQECWXAP-JOCHJYFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1cccc(Cl)c1 ZINC000023363105 570356753 /nfs/dbraw/zinc/35/67/53/570356753.db2.gz GPHAEUYPOOUNES-UXHICEINSA-N 2 1 392.975 2.491 50 0 GEAAMP O[C@@H](COc1ccccc1CNCC[NH+]1CCCCC1)C[NH+]1CCSCC1 ZINC000020774921 570930647 /nfs/dbraw/zinc/93/06/47/570930647.db2.gz MAFLBZFQYDDYRN-HXUWFJFHSA-N 2 1 393.597 2.051 50 0 GEAAMP CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1CO ZINC000091320640 571002932 /nfs/dbraw/zinc/00/29/32/571002932.db2.gz JLKWMVKDNWOHFV-NHCUHLMSSA-N 2 1 376.541 2.494 50 0 GEAAMP CCOc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1CO ZINC000091320640 571002934 /nfs/dbraw/zinc/00/29/34/571002934.db2.gz JLKWMVKDNWOHFV-NHCUHLMSSA-N 2 1 376.541 2.494 50 0 GEAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CO)CC1 ZINC000095374328 571063134 /nfs/dbraw/zinc/06/31/34/571063134.db2.gz CYYKTQPIAAWDMG-RTBURBONSA-N 2 1 386.565 2.098 50 0 GEAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C(C)(C)[NH3+] ZINC000095506796 571079274 /nfs/dbraw/zinc/07/92/74/571079274.db2.gz GKVHCQOGUCKXKL-KRWDZBQOSA-N 3 1 378.536 2.165 50 0 GEAAMP O[C@@H](COc1ccccc1C[NH+]1CCC(O)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000095521058 571087071 /nfs/dbraw/zinc/08/70/71/571087071.db2.gz GYNYSFKWAORVLA-HSZRJFAPSA-N 2 1 396.531 2.441 50 0 GEAAMP COc1cc(C[N@@H+](C)CC2CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095528063 571091645 /nfs/dbraw/zinc/09/16/45/571091645.db2.gz RQUOBWFGUBUMIM-GOSISDBHSA-N 2 1 380.554 2.326 50 0 GEAAMP COc1cc(C(=O)NCCCn2cc[nH+]c2C)ccc1OC1CC[NH+](C)CC1 ZINC000011819610 204356483 /nfs/dbraw/zinc/35/64/83/204356483.db2.gz YEGFGGQQQLTRSA-UHFFFAOYSA-N 2 1 386.496 2.493 50 0 GEAAMP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012076346 204370298 /nfs/dbraw/zinc/37/02/98/204370298.db2.gz ZMBNTWKEGCIGTE-FQEVSTJZSA-N 2 1 376.520 2.281 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ocnc1C ZINC000012303631 204394346 /nfs/dbraw/zinc/39/43/46/204394346.db2.gz ZWQJTGNZZOCIOQ-IBGZPJMESA-N 2 1 392.544 2.268 50 0 GEAAMP O[C@H]1[C@H](n2cc(C[NH2+]Cc3ccccc3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072174192 205317282 /nfs/dbraw/zinc/31/72/82/205317282.db2.gz PEPVGVXKUFZZJM-YADHBBJMSA-N 2 1 389.503 2.153 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1nc3ccccc3[nH]1)CC[NH+](C)CC2 ZINC000072463096 205352525 /nfs/dbraw/zinc/35/25/25/205352525.db2.gz FVTBYQGNJDODAW-IBGZPJMESA-N 2 1 383.540 2.418 50 0 GEAAMP C[NH+](C)CCN1CC2(CC[NH+](Cc3nc4c(s3)CCCC4)CC2)OC1=O ZINC000072475963 205353767 /nfs/dbraw/zinc/35/37/67/205353767.db2.gz WRVOMBFXEQWGTF-UHFFFAOYSA-N 2 1 378.542 2.370 50 0 GEAAMP [NH3+]Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000082170650 205388925 /nfs/dbraw/zinc/38/89/25/205388925.db2.gz SZYBKKAYLXHLGV-FQEVSTJZSA-N 2 1 398.551 2.084 50 0 GEAAMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000230234359 206111508 /nfs/dbraw/zinc/11/15/08/206111508.db2.gz OFQVZVAWORAWHO-CEWLAPEOSA-N 2 1 391.581 2.301 50 0 GEAAMP Cc1nccnc1C[N@H+]1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@@H](CO)C1 ZINC000097244208 570240032 /nfs/dbraw/zinc/24/00/32/570240032.db2.gz BTNRAKCLYSFNIN-HXUWFJFHSA-N 2 1 381.524 2.277 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH+](C)Cc1ccco1)C2 ZINC000020386960 570254017 /nfs/dbraw/zinc/25/40/17/570254017.db2.gz ZHGVIUSHYWIISJ-QGZVFWFLSA-N 2 1 399.539 2.263 50 0 GEAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000020386960 570254019 /nfs/dbraw/zinc/25/40/19/570254019.db2.gz ZHGVIUSHYWIISJ-QGZVFWFLSA-N 2 1 399.539 2.263 50 0 GEAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccco1)C2 ZINC000020386960 570254021 /nfs/dbraw/zinc/25/40/21/570254021.db2.gz ZHGVIUSHYWIISJ-QGZVFWFLSA-N 2 1 399.539 2.263 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCc3ccccc3)c2)CC1 ZINC000020419354 570255246 /nfs/dbraw/zinc/25/52/46/570255246.db2.gz RINIZWWLDBKOTH-HSZRJFAPSA-N 2 1 397.563 2.396 50 0 GEAAMP CC(C)=CC[N@@H+]1CCN(Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1CCO ZINC000104629883 570260475 /nfs/dbraw/zinc/26/04/75/570260475.db2.gz AGDXUJOKRDNERU-OAQYLSRUSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@@H+](Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1CCO ZINC000104629883 570260482 /nfs/dbraw/zinc/26/04/82/570260482.db2.gz AGDXUJOKRDNERU-OAQYLSRUSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@H+](Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1CCO ZINC000104629883 570260483 /nfs/dbraw/zinc/26/04/83/570260483.db2.gz AGDXUJOKRDNERU-OAQYLSRUSA-N 2 1 375.557 2.462 50 0 GEAAMP COc1cc(C[N@H+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012477405 570674217 /nfs/dbraw/zinc/67/42/17/570674217.db2.gz PKIZHVDQZZEMGD-IBGZPJMESA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012477405 570674220 /nfs/dbraw/zinc/67/42/20/570674220.db2.gz PKIZHVDQZZEMGD-IBGZPJMESA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012477405 570674222 /nfs/dbraw/zinc/67/42/22/570674222.db2.gz PKIZHVDQZZEMGD-IBGZPJMESA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012477405 570674224 /nfs/dbraw/zinc/67/42/24/570674224.db2.gz PKIZHVDQZZEMGD-IBGZPJMESA-N 2 1 388.512 2.197 50 0 GEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064289 570875370 /nfs/dbraw/zinc/87/53/70/570875370.db2.gz IXEGGBQDPYIALR-MRXNPFEDSA-N 2 1 387.553 2.458 50 0 GEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064289 570875372 /nfs/dbraw/zinc/87/53/72/570875372.db2.gz IXEGGBQDPYIALR-MRXNPFEDSA-N 2 1 387.553 2.458 50 0 GEAAMP COc1cc(C[N@@H+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015068237 570876251 /nfs/dbraw/zinc/87/62/51/570876251.db2.gz BABKZIKJZHOMGZ-IBGZPJMESA-N 2 1 390.528 2.173 50 0 GEAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015068237 570876253 /nfs/dbraw/zinc/87/62/53/570876253.db2.gz BABKZIKJZHOMGZ-IBGZPJMESA-N 2 1 390.528 2.173 50 0 GEAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015068237 570876256 /nfs/dbraw/zinc/87/62/56/570876256.db2.gz BABKZIKJZHOMGZ-IBGZPJMESA-N 2 1 390.528 2.173 50 0 GEAAMP COc1ccc(C[NH2+]CCCn2cccn2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015080153 570879532 /nfs/dbraw/zinc/87/95/32/570879532.db2.gz IHASUCBLXBTXGO-LJQANCHMSA-N 2 1 390.528 2.152 50 0 GEAAMP COCCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091964654 571037845 /nfs/dbraw/zinc/03/78/45/571037845.db2.gz LHOCNXZGHBXCQV-OAQYLSRUSA-N 2 1 399.579 2.483 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC2CCOCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095503270 571077106 /nfs/dbraw/zinc/07/71/06/571077106.db2.gz BSHDCTXJZPXQEF-HXUWFJFHSA-N 2 1 392.540 2.389 50 0 GEAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)CC3CCC3)c2)CC1 ZINC000095506346 571078920 /nfs/dbraw/zinc/07/89/20/571078920.db2.gz VSROHUSFNRLMMZ-OAQYLSRUSA-N 2 1 375.557 2.296 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)CC3CCC3)c2)CC1 ZINC000095506346 571078926 /nfs/dbraw/zinc/07/89/26/571078926.db2.gz VSROHUSFNRLMMZ-OAQYLSRUSA-N 2 1 375.557 2.296 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)CC3CCC3)c2)CC1 ZINC000095506346 571078928 /nfs/dbraw/zinc/07/89/28/571078928.db2.gz VSROHUSFNRLMMZ-OAQYLSRUSA-N 2 1 375.557 2.296 50 0 GEAAMP O[C@H](COc1ccccc1C[NH+]1CCC(O)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000095521057 571087053 /nfs/dbraw/zinc/08/70/53/571087053.db2.gz GYNYSFKWAORVLA-QHCPKHFHSA-N 2 1 396.531 2.441 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014542546 207023477 /nfs/dbraw/zinc/02/34/77/207023477.db2.gz KUHLCTLBLPHDIC-LJQANCHMSA-N 2 1 395.551 2.328 50 0 GEAAMP O=C(NCCc1cnc[nH]1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731604 207026352 /nfs/dbraw/zinc/02/63/52/207026352.db2.gz BZOFLOWHSHKDEF-UONOGXRCSA-N 2 1 396.413 2.392 50 0 GEAAMP Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000015075241 207046854 /nfs/dbraw/zinc/04/68/54/207046854.db2.gz DTAJAWOFHYHLJD-GOSISDBHSA-N 2 1 375.561 2.270 50 0 GEAAMP C[NH+]1CCC(N2CC[N@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)CC1 ZINC000019782168 207160705 /nfs/dbraw/zinc/16/07/05/207160705.db2.gz VYVFYTVGQHPMNO-QHCPKHFHSA-N 2 1 386.584 2.118 50 0 GEAAMP Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC[C@H](Cn3cc(C[NH3+])nn3)C2)c1 ZINC000023251689 207271654 /nfs/dbraw/zinc/27/16/54/207271654.db2.gz JUCZQPKZCJERNC-SFHVURJKSA-N 2 1 379.512 2.452 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C3CC3)no1)CC[NH+](C)CC2 ZINC000072431829 208024360 /nfs/dbraw/zinc/02/43/60/208024360.db2.gz LGQYBMFEEZJLHM-MRXNPFEDSA-N 2 1 375.517 2.102 50 0 GEAAMP Cc1cccc(-n2cc(CN(C)C(=O)[C@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)cn2)c1 ZINC000072477431 208031519 /nfs/dbraw/zinc/03/15/19/208031519.db2.gz LBIQQEFTYMECGP-HXUWFJFHSA-N 2 1 381.524 2.213 50 0 GEAAMP CC(=O)c1cc(C[NH+]2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)n(C)c1 ZINC000095356961 208158524 /nfs/dbraw/zinc/15/85/24/208158524.db2.gz QJJMUSZFWKPXPC-UHFFFAOYSA-N 2 1 388.556 2.384 50 0 GEAAMP COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095511024 208213402 /nfs/dbraw/zinc/21/34/02/208213402.db2.gz UDZGYIMDTVWWOF-LJQANCHMSA-N 2 1 393.572 2.301 50 0 GEAAMP COc1cc(CN2CC[NH+](C)C(C)(C)C2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095511024 208213408 /nfs/dbraw/zinc/21/34/08/208213408.db2.gz UDZGYIMDTVWWOF-LJQANCHMSA-N 2 1 393.572 2.301 50 0 GEAAMP COc1cc(CN2CC[NH+](C)C(C)(C)C2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095511024 208213411 /nfs/dbraw/zinc/21/34/11/208213411.db2.gz UDZGYIMDTVWWOF-LJQANCHMSA-N 2 1 393.572 2.301 50 0 GEAAMP COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095520195 208220267 /nfs/dbraw/zinc/22/02/67/208220267.db2.gz OKGJBOIJBOWGHB-IBGZPJMESA-N 2 1 378.513 2.142 50 0 GEAAMP CC[N@@H+](CCO)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526235 208227639 /nfs/dbraw/zinc/22/76/39/208227639.db2.gz BPUZBVCUEYJDIC-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000095526235 208227645 /nfs/dbraw/zinc/22/76/45/208227645.db2.gz BPUZBVCUEYJDIC-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000095526235 208227651 /nfs/dbraw/zinc/22/76/51/208227651.db2.gz BPUZBVCUEYJDIC-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000095530397 208228612 /nfs/dbraw/zinc/22/86/12/208228612.db2.gz PEVXIUNDBHFRFA-LJQANCHMSA-N 2 1 378.513 2.152 50 0 GEAAMP CCc1[nH+]ccn1CC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095529951 208230834 /nfs/dbraw/zinc/23/08/34/208230834.db2.gz ZBCWRZLQOUTING-UHFFFAOYSA-N 2 1 384.528 2.201 50 0 GEAAMP CCc1[nH+]ccn1CC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000095529951 208230837 /nfs/dbraw/zinc/23/08/37/208230837.db2.gz ZBCWRZLQOUTING-UHFFFAOYSA-N 2 1 384.528 2.201 50 0 GEAAMP CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096149013 208276173 /nfs/dbraw/zinc/27/61/73/208276173.db2.gz VJZIMHKMFOXPFA-OPAMFIHVSA-N 2 1 395.507 2.159 50 0 GEAAMP Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000244774146 209024769 /nfs/dbraw/zinc/02/47/69/209024769.db2.gz POOLIYDZVDYBSZ-KDURUIRLSA-N 2 1 380.540 2.408 50 0 GEAAMP COC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000007985779 221019024 /nfs/dbraw/zinc/01/90/24/221019024.db2.gz CGMVLWNDQYUQIC-NRFANRHFSA-N 2 1 398.503 2.467 50 0 GEAAMP CCNC(=O)c1ccc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc1 ZINC000095506485 136180095 /nfs/dbraw/zinc/18/00/95/136180095.db2.gz HQSAZIZEKOYYSN-SFHVURJKSA-N 2 1 384.528 2.364 50 0 GEAAMP O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426517599 534341791 /nfs/dbraw/zinc/34/17/91/534341791.db2.gz PUQONECGMJJEBF-FQEVSTJZSA-N 2 1 379.508 2.403 50 0 GEAAMP COCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000011818479 570584939 /nfs/dbraw/zinc/58/49/39/570584939.db2.gz NSQREBKTUCJKGB-IBGZPJMESA-N 2 1 391.556 2.334 50 0 GEAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3ccc4nonc4c3)CC2)CC1 ZINC000011839910 570586723 /nfs/dbraw/zinc/58/67/23/570586723.db2.gz HTYYGXTWPKAVMW-UHFFFAOYSA-N 2 1 385.512 2.379 50 0 GEAAMP C/C=C(\C)C[N@@H+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000012154439 570618071 /nfs/dbraw/zinc/61/80/71/570618071.db2.gz FJQPTHXHQITCAY-VUTNHFHASA-N 2 1 391.585 2.085 50 0 GEAAMP C/C=C(\C)C[N@H+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000012154439 570618073 /nfs/dbraw/zinc/61/80/73/570618073.db2.gz FJQPTHXHQITCAY-VUTNHFHASA-N 2 1 391.585 2.085 50 0 GEAAMP C/C=C(\C)C[NH+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000012154439 570618077 /nfs/dbraw/zinc/61/80/77/570618077.db2.gz FJQPTHXHQITCAY-VUTNHFHASA-N 2 1 391.585 2.085 50 0 GEAAMP C/C=C(\C)C[NH+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000012154439 570618080 /nfs/dbraw/zinc/61/80/80/570618080.db2.gz FJQPTHXHQITCAY-VUTNHFHASA-N 2 1 391.585 2.085 50 0 GEAAMP CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071748972 570846195 /nfs/dbraw/zinc/84/61/95/570846195.db2.gz CPBANHRMPPNLRQ-QGZVFWFLSA-N 2 1 389.544 2.492 50 0 GEAAMP CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071748972 570846200 /nfs/dbraw/zinc/84/62/00/570846200.db2.gz CPBANHRMPPNLRQ-QGZVFWFLSA-N 2 1 389.544 2.492 50 0 GEAAMP c1c(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)nn2c1C[NH2+]CCC2 ZINC000072169716 570877625 /nfs/dbraw/zinc/87/76/25/570877625.db2.gz KYQMVCWGFJZEJZ-INIZCTEOSA-N 2 1 379.468 2.201 50 0 GEAAMP c1c(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)nn2c1C[NH2+]CCC2 ZINC000072169716 570877627 /nfs/dbraw/zinc/87/76/27/570877627.db2.gz KYQMVCWGFJZEJZ-INIZCTEOSA-N 2 1 379.468 2.201 50 0 GEAAMP O[C@H](COc1ccccc1CNCC[NH+]1CCCCC1)C[NH+]1CCSCC1 ZINC000020774924 570931049 /nfs/dbraw/zinc/93/10/49/570931049.db2.gz MAFLBZFQYDDYRN-FQEVSTJZSA-N 2 1 393.597 2.051 50 0 GEAAMP O=C(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000655729757 652009182 /nfs/dbraw/zinc/00/91/82/652009182.db2.gz JYOBOVBLORDHEF-QGZVFWFLSA-N 2 1 396.329 2.022 50 0 GEAAMP CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCC ZINC000013733022 206996450 /nfs/dbraw/zinc/99/64/50/206996450.db2.gz SBAVROYKXPFTAV-UHFFFAOYSA-N 2 1 375.307 2.308 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OC ZINC000015065027 207042974 /nfs/dbraw/zinc/04/29/74/207042974.db2.gz QPHIANVNWRSKEU-LJQANCHMSA-N 2 1 388.512 2.199 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC ZINC000015065027 207042981 /nfs/dbraw/zinc/04/29/81/207042981.db2.gz QPHIANVNWRSKEU-LJQANCHMSA-N 2 1 388.512 2.199 50 0 GEAAMP C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000019225414 207109467 /nfs/dbraw/zinc/10/94/67/207109467.db2.gz IYRIETIFPVQKFR-HXUWFJFHSA-N 2 1 385.556 2.218 50 0 GEAAMP COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)ccc1OC1CC[NH+](C)CC1 ZINC000020137157 207179239 /nfs/dbraw/zinc/17/92/39/207179239.db2.gz CIJVRDZRXLNYET-KRWDZBQOSA-N 2 1 375.513 2.382 50 0 GEAAMP CCCC[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000020996395 207222836 /nfs/dbraw/zinc/22/28/36/207222836.db2.gz QHATXYQHAGMWQY-HXUWFJFHSA-N 2 1 393.572 2.304 50 0 GEAAMP COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072407650 208016378 /nfs/dbraw/zinc/01/63/78/208016378.db2.gz AZZRBLPWVPUOJL-GOSISDBHSA-N 2 1 379.932 2.389 50 0 GEAAMP C[N@H+]1CC2(C[C@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1)CC[NH2+]CC2 ZINC000072469926 208029148 /nfs/dbraw/zinc/02/91/48/208029148.db2.gz DZPGLRIBWCEIOT-FQEVSTJZSA-N 2 1 379.508 2.079 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(CC)Cc1cnn(CC)c1)CC[NH+](C)CC2 ZINC000072480151 208033710 /nfs/dbraw/zinc/03/37/10/208033710.db2.gz MSECSYBOMSMKAS-LJQANCHMSA-N 2 1 375.561 2.448 50 0 GEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3C)CC[C@H]21 ZINC000072478097 208033784 /nfs/dbraw/zinc/03/37/84/208033784.db2.gz VGROKYILFAKUAB-GHTZIAJQSA-N 2 1 381.524 2.213 50 0 GEAAMP c1cncc(C[N@H+]2CCCN(c3ncnc4sc5c(c43)CC[NH2+]C5)CC2)c1 ZINC000082147357 208082674 /nfs/dbraw/zinc/08/26/74/208082674.db2.gz FOVNSBNSRDYBOC-UHFFFAOYSA-N 2 1 380.521 2.444 50 0 GEAAMP COc1ccc(CN2CCC([NH+](C)C)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095505404 208208479 /nfs/dbraw/zinc/20/84/79/208208479.db2.gz KHJCGRNWERDOFC-HXUWFJFHSA-N 2 1 393.572 2.301 50 0 GEAAMP COc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095516480 208213767 /nfs/dbraw/zinc/21/37/67/208213767.db2.gz DUGSRWYBHDUMKX-IBGZPJMESA-N 2 1 394.556 2.370 50 0 GEAAMP COc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095516481 208214907 /nfs/dbraw/zinc/21/49/07/208214907.db2.gz DUGSRWYBHDUMKX-LJQANCHMSA-N 2 1 394.556 2.370 50 0 GEAAMP C[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523640 208224756 /nfs/dbraw/zinc/22/47/56/208224756.db2.gz KBFYXROIEZTAIH-FQEVSTJZSA-N 2 1 394.581 2.210 50 0 GEAAMP Cc1cc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2c(C)n[nH]c2C)C[C@@H]3CO)on1 ZINC000097784978 208361146 /nfs/dbraw/zinc/36/11/46/208361146.db2.gz MOYPDVPGMIPFJK-GOSISDBHSA-N 2 1 387.528 2.420 50 0 GEAAMP Oc1cccc(CN2CCCn3nc(C[N@H+]4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291125 /nfs/dbraw/zinc/29/11/25/570291125.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 1 382.508 2.482 50 0 GEAAMP Oc1cccc(CN2CCCn3nc(C[N@@H+]4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291127 /nfs/dbraw/zinc/29/11/27/570291127.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 1 382.508 2.482 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000012301082 570298970 /nfs/dbraw/zinc/29/89/70/570298970.db2.gz BRKJWQAOIHMLON-IBGZPJMESA-N 2 1 375.561 2.496 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000012301082 570298974 /nfs/dbraw/zinc/29/89/74/570298974.db2.gz BRKJWQAOIHMLON-IBGZPJMESA-N 2 1 375.561 2.496 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000011817045 570436249 /nfs/dbraw/zinc/43/62/49/570436249.db2.gz HCVVQPOLGCZHQD-SFHVURJKSA-N 2 1 384.528 2.362 50 0 GEAAMP CCCn1ncc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039379871 570590182 /nfs/dbraw/zinc/59/01/82/570590182.db2.gz NSSOIMLYDGEQAG-JOCHJYFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CCCn1ncc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039379871 570590185 /nfs/dbraw/zinc/59/01/85/570590185.db2.gz NSSOIMLYDGEQAG-JOCHJYFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000012052559 570601460 /nfs/dbraw/zinc/60/14/60/570601460.db2.gz ABSXCKLBJKDHMV-UHFFFAOYSA-N 2 1 391.531 2.261 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000012305633 570638716 /nfs/dbraw/zinc/63/87/16/570638716.db2.gz MJENIYMNTAJWMS-UHFFFAOYSA-N 2 1 384.528 2.364 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000012305633 570638718 /nfs/dbraw/zinc/63/87/18/570638718.db2.gz MJENIYMNTAJWMS-UHFFFAOYSA-N 2 1 384.528 2.364 50 0 GEAAMP CCC[NH+]1CCN(C(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000065255750 570753810 /nfs/dbraw/zinc/75/38/10/570753810.db2.gz HVJMTJAAYDLGPF-NRFANRHFSA-N 2 1 393.535 2.400 50 0 GEAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071614788 570841772 /nfs/dbraw/zinc/84/17/72/570841772.db2.gz YBBCNCOREDLQGE-FQEVSTJZSA-N 2 1 385.552 2.346 50 0 GEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071614788 570841778 /nfs/dbraw/zinc/84/17/78/570841778.db2.gz YBBCNCOREDLQGE-FQEVSTJZSA-N 2 1 385.552 2.346 50 0 GEAAMP O=C([C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763449 570850374 /nfs/dbraw/zinc/85/03/74/570850374.db2.gz OSSGPVNFTGFIQZ-JOCHJYFZSA-N 2 1 398.595 2.227 50 0 GEAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763449 570850376 /nfs/dbraw/zinc/85/03/76/570850376.db2.gz OSSGPVNFTGFIQZ-JOCHJYFZSA-N 3 1 398.595 2.227 50 0 GEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763449 570850379 /nfs/dbraw/zinc/85/03/79/570850379.db2.gz OSSGPVNFTGFIQZ-JOCHJYFZSA-N 3 1 398.595 2.227 50 0 GEAAMP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072146685 570872007 /nfs/dbraw/zinc/87/20/07/570872007.db2.gz MIFJILACAMIARX-KRWDZBQOSA-N 2 1 384.446 2.038 50 0 GEAAMP COCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165442 570876348 /nfs/dbraw/zinc/87/63/48/570876348.db2.gz SMYSDUDWFKKNTE-HXUWFJFHSA-N 2 1 379.520 2.463 50 0 GEAAMP COCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165442 570876350 /nfs/dbraw/zinc/87/63/50/570876350.db2.gz SMYSDUDWFKKNTE-HXUWFJFHSA-N 2 1 379.520 2.463 50 0 GEAAMP COCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165442 570876351 /nfs/dbraw/zinc/87/63/51/570876351.db2.gz SMYSDUDWFKKNTE-HXUWFJFHSA-N 2 1 379.520 2.463 50 0 GEAAMP COCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165442 570876353 /nfs/dbraw/zinc/87/63/53/570876353.db2.gz SMYSDUDWFKKNTE-HXUWFJFHSA-N 2 1 379.520 2.463 50 0 GEAAMP Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CC5(C[NH2+]4)CC[NH2+]CC5)CC3)[nH]c21 ZINC000072168567 570876742 /nfs/dbraw/zinc/87/67/42/570876742.db2.gz MYKRJVIWADTIDS-SFHVURJKSA-N 2 1 381.524 2.309 50 0 GEAAMP COc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C)CC2)s1 ZINC000015728188 207056793 /nfs/dbraw/zinc/05/67/93/207056793.db2.gz DTSDOYMPRRPBBE-UHFFFAOYSA-N 2 1 398.536 2.379 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000019839343 207166586 /nfs/dbraw/zinc/16/65/86/207166586.db2.gz XGNHIMACTCFBNU-NRFANRHFSA-N 2 1 375.557 2.440 50 0 GEAAMP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CSCCSC3)CC2)C1 ZINC000020208528 207183874 /nfs/dbraw/zinc/18/38/74/207183874.db2.gz RPOLQAFMVPOQCU-HNNXBMFYSA-N 2 1 383.627 2.290 50 0 GEAAMP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](C3CSCCSC3)CC2)C1 ZINC000020208528 207183878 /nfs/dbraw/zinc/18/38/78/207183878.db2.gz RPOLQAFMVPOQCU-HNNXBMFYSA-N 2 1 383.627 2.290 50 0 GEAAMP Cn1cc(CC[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)cn1 ZINC000020454040 207194447 /nfs/dbraw/zinc/19/44/47/207194447.db2.gz GNWKEKZVSAZRPV-OAQYLSRUSA-N 2 1 386.540 2.320 50 0 GEAAMP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000020531726 207200175 /nfs/dbraw/zinc/20/01/75/207200175.db2.gz WYVMXVUVJIIMSZ-MRXNPFEDSA-N 2 1 377.529 2.095 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000020877582 207218541 /nfs/dbraw/zinc/21/85/41/207218541.db2.gz FQSCOUVNIMROJH-GOSISDBHSA-N 2 1 387.572 2.270 50 0 GEAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O ZINC000072407149 208015923 /nfs/dbraw/zinc/01/59/23/208015923.db2.gz ZIFHUXTYZOKLCQ-HXUWFJFHSA-N 2 1 387.524 2.237 50 0 GEAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072422901 208022925 /nfs/dbraw/zinc/02/29/25/208022925.db2.gz BRTXRDPAWHSFGB-OAQYLSRUSA-N 3 1 384.568 2.315 50 0 GEAAMP CN(C)[C@@H]1CC[N@H+](CCCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)C1 ZINC000072434378 208025476 /nfs/dbraw/zinc/02/54/76/208025476.db2.gz VPCPUYJBQCMGJP-LJQANCHMSA-N 2 1 378.561 2.242 50 0 GEAAMP CN(C)[C@@H]1CC[N@@H+](CCCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)C1 ZINC000072434378 208025482 /nfs/dbraw/zinc/02/54/82/208025482.db2.gz VPCPUYJBQCMGJP-LJQANCHMSA-N 2 1 378.561 2.242 50 0 GEAAMP CCOc1c(CN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cccc1OC ZINC000072438543 208027340 /nfs/dbraw/zinc/02/73/40/208027340.db2.gz LNZUZQIKLDCFKV-QGZVFWFLSA-N 2 1 375.513 2.126 50 0 GEAAMP Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)n2)c1 ZINC000072480499 208032099 /nfs/dbraw/zinc/03/20/99/208032099.db2.gz OLOPYPDIADWBPF-KRWDZBQOSA-N 2 1 383.496 2.077 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000095508847 208210908 /nfs/dbraw/zinc/21/09/08/208210908.db2.gz PVMNTEHMXGVDCH-LJQANCHMSA-N 2 1 393.572 2.303 50 0 GEAAMP COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095504751 208203156 /nfs/dbraw/zinc/20/31/56/208203156.db2.gz SPGIYOLGTAKSIC-IBGZPJMESA-N 2 1 380.529 2.386 50 0 GEAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095504751 208203164 /nfs/dbraw/zinc/20/31/64/208203164.db2.gz SPGIYOLGTAKSIC-IBGZPJMESA-N 2 1 380.529 2.386 50 0 GEAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095504751 208203171 /nfs/dbraw/zinc/20/31/71/208203171.db2.gz SPGIYOLGTAKSIC-IBGZPJMESA-N 2 1 380.529 2.386 50 0 GEAAMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000096003147 208251791 /nfs/dbraw/zinc/25/17/91/208251791.db2.gz OFQVZVAWORAWHO-HLAWJBBLSA-N 2 1 391.581 2.301 50 0 GEAAMP Cc1noc(C)c1C[N@@H+]1CCC2(CC[NH+](Cc3cncn3C)CC2)[C@@H](CO)C1 ZINC000097334309 208354939 /nfs/dbraw/zinc/35/49/39/208354939.db2.gz FQRHPWAOHRJTHP-GOSISDBHSA-N 2 1 387.528 2.122 50 0 GEAAMP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](Cc3ccccc3F)CC2)[C@H](CO)C1 ZINC000097822889 208363175 /nfs/dbraw/zinc/36/31/75/208363175.db2.gz SSKLZEHGBZQGKW-SFHVURJKSA-N 2 1 378.488 2.285 50 0 GEAAMP CCOC(=O)C[N@H+]1CCC2(CC[NH+](Cc3ccccc3F)CC2)[C@H](CO)C1 ZINC000097822889 208363181 /nfs/dbraw/zinc/36/31/81/208363181.db2.gz SSKLZEHGBZQGKW-SFHVURJKSA-N 2 1 378.488 2.285 50 0 GEAAMP Nc1nc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252536535 209036625 /nfs/dbraw/zinc/03/66/25/209036625.db2.gz IVDFKVBPOOXTRC-IZAXUBKRSA-N 2 1 379.508 2.324 50 0 GEAAMP CCOc1ccc(C[N@@H+]2CCN(c3cc(C)[nH+]c(NC)n3)C[C@@H]2CCO)cc1 ZINC000072438006 136170611 /nfs/dbraw/zinc/17/06/11/136170611.db2.gz NNTHBAUFWLKRCO-SFHVURJKSA-N 2 1 385.512 2.299 50 0 GEAAMP CCOc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(NC)n3)C[C@@H]2CCO)cc1 ZINC000072438006 136170612 /nfs/dbraw/zinc/17/06/12/136170612.db2.gz NNTHBAUFWLKRCO-SFHVURJKSA-N 2 1 385.512 2.299 50 0 GEAAMP CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)CCC[N@H+]1CC1CC1 ZINC000244708191 570433247 /nfs/dbraw/zinc/43/32/47/570433247.db2.gz KPGVAIBIMYUILZ-NSHGMRRFSA-N 2 1 388.560 2.303 50 0 GEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000426628370 570502951 /nfs/dbraw/zinc/50/29/51/570502951.db2.gz ZIAZFGMJIKZAQU-IBGZPJMESA-N 2 1 381.524 2.003 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cn(CC)nc1C)CC[NH+](C)CC2 ZINC000426628833 570503098 /nfs/dbraw/zinc/50/30/98/570503098.db2.gz UJOBOGXTPABBMP-IBGZPJMESA-N 2 1 375.561 2.366 50 0 GEAAMP CCN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071748973 570846063 /nfs/dbraw/zinc/84/60/63/570846063.db2.gz CPBANHRMPPNLRQ-KRWDZBQOSA-N 2 1 389.544 2.492 50 0 GEAAMP CCN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071748973 570846067 /nfs/dbraw/zinc/84/60/67/570846067.db2.gz CPBANHRMPPNLRQ-KRWDZBQOSA-N 2 1 389.544 2.492 50 0 GEAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC2CCC2)c1 ZINC000095523393 571089328 /nfs/dbraw/zinc/08/93/28/571089328.db2.gz QSANPAINMCWUMM-FQEVSTJZSA-N 2 1 392.540 2.124 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014542545 207023346 /nfs/dbraw/zinc/02/33/46/207023346.db2.gz KUHLCTLBLPHDIC-IBGZPJMESA-N 2 1 395.551 2.328 50 0 GEAAMP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CSCCSC3)CC2)C1 ZINC000020208525 207183481 /nfs/dbraw/zinc/18/34/81/207183481.db2.gz RPOLQAFMVPOQCU-OAHLLOKOSA-N 2 1 383.627 2.290 50 0 GEAAMP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](C3CSCCSC3)CC2)C1 ZINC000020208525 207183483 /nfs/dbraw/zinc/18/34/83/207183483.db2.gz RPOLQAFMVPOQCU-OAHLLOKOSA-N 2 1 383.627 2.290 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3ccccc3)c2)CC1 ZINC000020419356 207192252 /nfs/dbraw/zinc/19/22/52/207192252.db2.gz RINIZWWLDBKOTH-QHCPKHFHSA-N 2 1 397.563 2.396 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1 ZINC000020919754 207218923 /nfs/dbraw/zinc/21/89/23/207218923.db2.gz JHOXFASPJMFNOC-JOCHJYFZSA-N 2 1 383.536 2.354 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072425770 208023366 /nfs/dbraw/zinc/02/33/66/208023366.db2.gz YSFGMARDRLQPHG-MRXNPFEDSA-N 2 1 377.533 2.348 50 0 GEAAMP CC1(C)C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091915273 208141386 /nfs/dbraw/zinc/14/13/86/208141386.db2.gz IKXUDJOICXZWOY-JOCHJYFZSA-N 2 1 384.524 2.168 50 0 GEAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)CC3CCC3)c2)CC1 ZINC000095506345 208206962 /nfs/dbraw/zinc/20/69/62/208206962.db2.gz VSROHUSFNRLMMZ-NRFANRHFSA-N 2 1 375.557 2.296 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)CC3CCC3)c2)CC1 ZINC000095506345 208206980 /nfs/dbraw/zinc/20/69/80/208206980.db2.gz VSROHUSFNRLMMZ-NRFANRHFSA-N 2 1 375.557 2.296 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)CC3CCC3)c2)CC1 ZINC000095506345 208206987 /nfs/dbraw/zinc/20/69/87/208206987.db2.gz VSROHUSFNRLMMZ-NRFANRHFSA-N 2 1 375.557 2.296 50 0 GEAAMP C[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522878 208222223 /nfs/dbraw/zinc/22/22/23/208222223.db2.gz KTWQQMSWXBOXQP-HSZRJFAPSA-N 2 1 395.547 2.232 50 0 GEAAMP CCc1cc(N2CCC([N@@H+]3C[C@@H]4CCN(C)[C@@H]4C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095529169 136181579 /nfs/dbraw/zinc/18/15/79/136181579.db2.gz MHCOUQRPSTXILP-FXAWDEMLSA-N 2 1 384.572 2.244 50 0 GEAAMP CCc1cc(N2CCC([N@H+]3C[C@@H]4CCN(C)[C@@H]4C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095529169 136181580 /nfs/dbraw/zinc/18/15/80/136181580.db2.gz MHCOUQRPSTXILP-FXAWDEMLSA-N 2 1 384.572 2.244 50 0 GEAAMP COc1cc(O)ccc1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104628651 570260171 /nfs/dbraw/zinc/26/01/71/570260171.db2.gz VNRJOLNSWGJIMV-HXUWFJFHSA-N 2 1 391.556 2.142 50 0 GEAAMP COc1cc(O)ccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104628651 570260173 /nfs/dbraw/zinc/26/01/73/570260173.db2.gz VNRJOLNSWGJIMV-HXUWFJFHSA-N 2 1 391.556 2.142 50 0 GEAAMP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000225671845 570601164 /nfs/dbraw/zinc/60/11/64/570601164.db2.gz ASMMMOCEXNBZCR-AWEZNQCLSA-N 2 1 399.886 2.250 50 0 GEAAMP C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000225671845 570601169 /nfs/dbraw/zinc/60/11/69/570601169.db2.gz ASMMMOCEXNBZCR-AWEZNQCLSA-N 2 1 399.886 2.250 50 0 GEAAMP CCn1ccnc1C[N@@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012209550 570626463 /nfs/dbraw/zinc/62/64/63/570626463.db2.gz YDUOPSALEPKITC-SFHVURJKSA-N 2 1 375.561 2.448 50 0 GEAAMP CCn1ccnc1C[N@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012209550 570626469 /nfs/dbraw/zinc/62/64/69/570626469.db2.gz YDUOPSALEPKITC-SFHVURJKSA-N 2 1 375.561 2.448 50 0 GEAAMP CNc1cc(C)[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071751253 570846922 /nfs/dbraw/zinc/84/69/22/570846922.db2.gz XUDUKFIBENETRH-QGZVFWFLSA-N 2 1 386.544 2.130 50 0 GEAAMP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426412462 231217300 /nfs/dbraw/zinc/21/73/00/231217300.db2.gz UEKKLWUZLKJBLW-HXUWFJFHSA-N 2 1 386.540 2.157 50 0 GEAAMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426412462 231217302 /nfs/dbraw/zinc/21/73/02/231217302.db2.gz UEKKLWUZLKJBLW-HXUWFJFHSA-N 2 1 386.540 2.157 50 0 GEAAMP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013942860 207004545 /nfs/dbraw/zinc/00/45/45/207004545.db2.gz GXGCQHUXLFQTPQ-UHFFFAOYSA-N 2 1 379.932 2.391 50 0 GEAAMP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000020531757 207201118 /nfs/dbraw/zinc/20/11/18/207201118.db2.gz KGQNHPZPOJVBBI-UHFFFAOYSA-N 2 1 391.556 2.485 50 0 GEAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CCN(CC(C)(C)[NH3+])CC2)OC1=O ZINC000072463659 208031599 /nfs/dbraw/zinc/03/15/99/208031599.db2.gz ULNWQTXZFZWJAU-UHFFFAOYSA-N 2 1 388.556 2.185 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(CC)Cc1cnn(CC)c1)CC[NH+](C)CC2 ZINC000072480152 208033098 /nfs/dbraw/zinc/03/30/98/208033098.db2.gz MSECSYBOMSMKAS-IBGZPJMESA-N 2 1 375.561 2.448 50 0 GEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2OCCN2CC[NH+](C)CC2)CC[C@@]1(O)C1CC1 ZINC000091594442 208125196 /nfs/dbraw/zinc/12/51/96/208125196.db2.gz XSKWJUDIQALZLW-XXBNENTESA-N 2 1 387.568 2.296 50 0 GEAAMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095363587 208164254 /nfs/dbraw/zinc/16/42/54/208164254.db2.gz DISCYVHPLAUJLR-MTNREXPMSA-N 2 1 394.475 2.009 50 0 GEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC000095380573 208173721 /nfs/dbraw/zinc/17/37/21/208173721.db2.gz COMJKFCDIOVLAI-OPYAIIAOSA-N 2 1 390.528 2.286 50 0 GEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC000095380573 208173724 /nfs/dbraw/zinc/17/37/24/208173724.db2.gz COMJKFCDIOVLAI-OPYAIIAOSA-N 2 1 390.528 2.286 50 0 GEAAMP COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1OC1CC[NH+](C)CC1 ZINC000095513161 208212856 /nfs/dbraw/zinc/21/28/56/208212856.db2.gz MUKRKTQZHWSRLH-ZWKOTPCHSA-N 2 1 387.524 2.477 50 0 GEAAMP Cc1nn(C)cc1C[N@H+]1CCC2(CC[NH+](Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097514988 208354126 /nfs/dbraw/zinc/35/41/26/208354126.db2.gz HBWNRTNUARFRJR-OAQYLSRUSA-N 2 1 383.540 2.220 50 0 GEAAMP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)[C@@H](CO)C1 ZINC000097532482 208357687 /nfs/dbraw/zinc/35/76/87/208357687.db2.gz MFPQVXKYVDATDX-HXUWFJFHSA-N 2 1 386.536 2.113 50 0 GEAAMP CCOC(=O)C[N@H+]1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)[C@@H](CO)C1 ZINC000097532482 208357692 /nfs/dbraw/zinc/35/76/92/208357692.db2.gz MFPQVXKYVDATDX-HXUWFJFHSA-N 2 1 386.536 2.113 50 0 GEAAMP [NH3+]C1(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000072168795 136167489 /nfs/dbraw/zinc/16/74/89/136167489.db2.gz WPJGFYPXROMPDG-KRWDZBQOSA-N 2 1 396.457 2.310 50 0 GEAAMP C[NH+](C)CCOc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000095958570 136182757 /nfs/dbraw/zinc/18/27/57/136182757.db2.gz QOCIMQVEYFZEHJ-UHFFFAOYSA-N 2 1 383.496 2.026 50 0 GEAAMP Cc1c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237234462 570340386 /nfs/dbraw/zinc/34/03/86/570340386.db2.gz LOPXWZGUCPGSRA-IBGZPJMESA-N 2 1 396.539 2.105 50 0 GEAAMP CCC[NH+]1CCC(N2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)CC1 ZINC000039518515 570592939 /nfs/dbraw/zinc/59/29/39/570592939.db2.gz KOZKVQWLRLATRL-OAQYLSRUSA-N 2 1 375.557 2.438 50 0 GEAAMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)CC1 ZINC000039518515 570592942 /nfs/dbraw/zinc/59/29/42/570592942.db2.gz KOZKVQWLRLATRL-OAQYLSRUSA-N 2 1 375.557 2.438 50 0 GEAAMP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000225671808 570600992 /nfs/dbraw/zinc/60/09/92/570600992.db2.gz ASMMMOCEXNBZCR-CQSZACIVSA-N 2 1 399.886 2.250 50 0 GEAAMP C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000225671808 570600994 /nfs/dbraw/zinc/60/09/94/570600994.db2.gz ASMMMOCEXNBZCR-CQSZACIVSA-N 2 1 399.886 2.250 50 0 GEAAMP CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431331 570659673 /nfs/dbraw/zinc/65/96/73/570659673.db2.gz YCLUZZSJZPWLPI-LJQANCHMSA-N 2 1 376.589 2.460 50 0 GEAAMP CN1CCC([N@H+]2CCC[C@@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431331 570659676 /nfs/dbraw/zinc/65/96/76/570659676.db2.gz YCLUZZSJZPWLPI-LJQANCHMSA-N 2 1 376.589 2.460 50 0 GEAAMP COc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012459192 570736664 /nfs/dbraw/zinc/73/66/64/570736664.db2.gz MPFVMQTVYZDDAI-IBGZPJMESA-N 2 1 390.528 2.107 50 0 GEAAMP COc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012459192 570736666 /nfs/dbraw/zinc/73/66/66/570736666.db2.gz MPFVMQTVYZDDAI-IBGZPJMESA-N 2 1 390.528 2.107 50 0 GEAAMP O=C1Nc2ccccc2NC12CC[NH+](C[C@]1(O)CCC[N@H+]3CCCC[C@@H]31)CC2 ZINC000063832494 570750815 /nfs/dbraw/zinc/75/08/15/570750815.db2.gz FMTUGQULVLTVMV-DENIHFKCSA-N 2 1 384.524 2.265 50 0 GEAAMP O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]CC12CCC[NH+]1CCC2 ZINC000067934573 570797184 /nfs/dbraw/zinc/79/71/84/570797184.db2.gz ABKGRNWNZHUTRT-QHCPKHFHSA-N 2 1 385.552 2.191 50 0 GEAAMP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071416060 570833608 /nfs/dbraw/zinc/83/36/08/570833608.db2.gz BDJNTIOUTKKWED-OAQYLSRUSA-N 2 1 398.595 2.274 50 0 GEAAMP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071416060 570833613 /nfs/dbraw/zinc/83/36/13/570833613.db2.gz BDJNTIOUTKKWED-OAQYLSRUSA-N 3 1 398.595 2.274 50 0 GEAAMP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071416060 570833615 /nfs/dbraw/zinc/83/36/15/570833615.db2.gz BDJNTIOUTKKWED-OAQYLSRUSA-N 3 1 398.595 2.274 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071746114 570845271 /nfs/dbraw/zinc/84/52/71/570845271.db2.gz IQEHYTYLUSDNFN-OAQYLSRUSA-N 2 1 386.584 2.083 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071746114 570845274 /nfs/dbraw/zinc/84/52/74/570845274.db2.gz IQEHYTYLUSDNFN-OAQYLSRUSA-N 3 1 386.584 2.083 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071746114 570845278 /nfs/dbraw/zinc/84/52/78/570845278.db2.gz IQEHYTYLUSDNFN-OAQYLSRUSA-N 3 1 386.584 2.083 50 0 GEAAMP CCN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748280 570845914 /nfs/dbraw/zinc/84/59/14/570845914.db2.gz UPERKZUTCWPCRW-NRFANRHFSA-N 2 1 387.568 2.246 50 0 GEAAMP CCN(CCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748280 570845917 /nfs/dbraw/zinc/84/59/17/570845917.db2.gz UPERKZUTCWPCRW-NRFANRHFSA-N 2 1 387.568 2.246 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071751021 570846943 /nfs/dbraw/zinc/84/69/43/570846943.db2.gz AEHFCKXPSZFJSM-KRWDZBQOSA-N 2 1 399.539 2.186 50 0 GEAAMP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000071765390 570851579 /nfs/dbraw/zinc/85/15/79/570851579.db2.gz HLKQAEUNWBMNKN-NRFANRHFSA-N 2 1 398.595 2.355 50 0 GEAAMP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000071765390 570851581 /nfs/dbraw/zinc/85/15/81/570851581.db2.gz HLKQAEUNWBMNKN-NRFANRHFSA-N 3 1 398.595 2.355 50 0 GEAAMP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000071765390 570851583 /nfs/dbraw/zinc/85/15/83/570851583.db2.gz HLKQAEUNWBMNKN-NRFANRHFSA-N 3 1 398.595 2.355 50 0 GEAAMP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072146686 570872262 /nfs/dbraw/zinc/87/22/62/570872262.db2.gz MIFJILACAMIARX-QGZVFWFLSA-N 2 1 384.446 2.038 50 0 GEAAMP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012302160 206880450 /nfs/dbraw/zinc/88/04/50/206880450.db2.gz ZOZDDRYTYJMNSI-FQEVSTJZSA-N 3 1 393.572 2.207 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747517 207029052 /nfs/dbraw/zinc/02/90/52/207029052.db2.gz OARLJECWCOPVTQ-WMQCIHAUSA-N 2 1 385.552 2.380 50 0 GEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064288 207043453 /nfs/dbraw/zinc/04/34/53/207043453.db2.gz IXEGGBQDPYIALR-INIZCTEOSA-N 2 1 387.553 2.458 50 0 GEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064288 207043456 /nfs/dbraw/zinc/04/34/56/207043456.db2.gz IXEGGBQDPYIALR-INIZCTEOSA-N 2 1 387.553 2.458 50 0 GEAAMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000020207628 207183512 /nfs/dbraw/zinc/18/35/12/207183512.db2.gz ROCBZLRBFNWGNY-IBGZPJMESA-N 2 1 386.540 2.411 50 0 GEAAMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000020207628 207183516 /nfs/dbraw/zinc/18/35/16/207183516.db2.gz ROCBZLRBFNWGNY-IBGZPJMESA-N 2 1 386.540 2.411 50 0 GEAAMP Cn1cc(CC[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cn1 ZINC000020454038 207194375 /nfs/dbraw/zinc/19/43/75/207194375.db2.gz GNWKEKZVSAZRPV-NRFANRHFSA-N 2 1 386.540 2.320 50 0 GEAAMP CCCC[N@@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000020531744 207201534 /nfs/dbraw/zinc/20/15/34/207201534.db2.gz BCKLKXILIYHQKE-UHFFFAOYSA-N 2 1 379.545 2.343 50 0 GEAAMP CCC[N@@H+](C)Cc1cc2n(n1)CCN(C(=O)c1ccccc1[C@H]1CC[NH2+]C1)C2 ZINC000072425808 208021401 /nfs/dbraw/zinc/02/14/01/208021401.db2.gz XQRVZWQVCXECGV-KRWDZBQOSA-N 2 1 381.524 2.458 50 0 GEAAMP CCCN(Cc1nccn1C)C(=O)[C@@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072422256 208021522 /nfs/dbraw/zinc/02/15/22/208021522.db2.gz VOCPMQCDEPDMHY-SFHVURJKSA-N 2 1 375.561 2.355 50 0 GEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cnn(-c4cccc(C)c4)c3)CC[C@H]21 ZINC000072435815 208024742 /nfs/dbraw/zinc/02/47/42/208024742.db2.gz ALYHRRCMDRTHBE-PZJWPPBQSA-N 2 1 381.524 2.213 50 0 GEAAMP Cc1ccc(OC2(C(=O)NC[C@@H](c3ccccn3)[NH+](C)C)CC[NH2+]CC2)cc1 ZINC000077301074 208037859 /nfs/dbraw/zinc/03/78/59/208037859.db2.gz ZSLCMBYQTLPWNY-FQEVSTJZSA-N 2 1 382.508 2.310 50 0 GEAAMP C[N@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000091645259 208128279 /nfs/dbraw/zinc/12/82/79/208128279.db2.gz RLJMMERUORPOKW-HESYWAASSA-N 2 1 375.532 2.407 50 0 GEAAMP C[NH+]1CCCN(C[C@H]2C[C@H](CO)C[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000091645259 208128285 /nfs/dbraw/zinc/12/82/85/208128285.db2.gz RLJMMERUORPOKW-HESYWAASSA-N 2 1 375.532 2.407 50 0 GEAAMP C[NH+]1CCCN(C[C@H]2C[C@H](CO)C[N@@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000091645259 208128291 /nfs/dbraw/zinc/12/82/91/208128291.db2.gz RLJMMERUORPOKW-HESYWAASSA-N 2 1 375.532 2.407 50 0 GEAAMP CC1(C)C[N@@H+](CCCOc2ccc(F)cc2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091845647 208137332 /nfs/dbraw/zinc/13/73/32/208137332.db2.gz VIZOOCVVDHUWAB-OAQYLSRUSA-N 2 1 380.504 2.390 50 0 GEAAMP C[NH+]1CCN(Cc2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507836 208207961 /nfs/dbraw/zinc/20/79/61/208207961.db2.gz OXYMVKQOQGQIFQ-QHCPKHFHSA-N 2 1 395.547 2.232 50 0 GEAAMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000096012396 208254175 /nfs/dbraw/zinc/25/41/75/208254175.db2.gz IZUIPSQIWPNMNJ-HJNYFJLDSA-N 2 1 398.595 2.181 50 0 GEAAMP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)CC[N@H+](C1CCOCC1)C[C@@H]2CO ZINC000097522008 208354463 /nfs/dbraw/zinc/35/44/63/208354463.db2.gz VRRPSWIARJBELQ-GOSISDBHSA-N 2 1 376.545 2.102 50 0 GEAAMP CCNC(=O)c1ccnc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095525062 535450285 /nfs/dbraw/zinc/45/02/85/535450285.db2.gz TZPMCXCTXJVNRB-SFHVURJKSA-N 2 1 384.528 2.364 50 0 GEAAMP C[NH+]1CCN(c2ncc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741317 536425694 /nfs/dbraw/zinc/42/56/94/536425694.db2.gz GLVGMUZDJZUBBU-QFIPXVFZSA-N 2 1 395.551 2.490 50 0 GEAAMP C[NH+]1CCN(c2ncc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741317 536425697 /nfs/dbraw/zinc/42/56/97/536425697.db2.gz GLVGMUZDJZUBBU-QFIPXVFZSA-N 2 1 395.551 2.490 50 0 GEAAMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903076 570270438 /nfs/dbraw/zinc/27/04/38/570270438.db2.gz JFMUITBWDQSMCP-GOSISDBHSA-N 2 1 383.496 2.418 50 0 GEAAMP C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)C[C@H](C)O1 ZINC000102728155 570291882 /nfs/dbraw/zinc/29/18/82/570291882.db2.gz WACOLYIVZBJRSY-GASCZTMLSA-N 2 1 378.542 2.127 50 0 GEAAMP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039461254 570592100 /nfs/dbraw/zinc/59/21/00/570592100.db2.gz NKRIEDFFKFWRDU-HSZRJFAPSA-N 2 1 397.567 2.144 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012751681 570709665 /nfs/dbraw/zinc/70/96/65/570709665.db2.gz IQUGGQPTNVHIAE-GOSISDBHSA-N 2 1 377.529 2.365 50 0 GEAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000067434885 570779955 /nfs/dbraw/zinc/77/99/55/570779955.db2.gz KKQOPGGOQBTVCH-HXUWFJFHSA-N 2 1 385.552 2.093 50 0 GEAAMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)CC2)ccc1OCC(N)=O ZINC000067674075 570785186 /nfs/dbraw/zinc/78/51/86/570785186.db2.gz KFJUKMTZWQCASO-UHFFFAOYSA-N 2 1 375.513 2.257 50 0 GEAAMP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071416059 570833626 /nfs/dbraw/zinc/83/36/26/570833626.db2.gz BDJNTIOUTKKWED-NRFANRHFSA-N 2 1 398.595 2.274 50 0 GEAAMP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071416059 570833628 /nfs/dbraw/zinc/83/36/28/570833628.db2.gz BDJNTIOUTKKWED-NRFANRHFSA-N 3 1 398.595 2.274 50 0 GEAAMP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071416059 570833630 /nfs/dbraw/zinc/83/36/30/570833630.db2.gz BDJNTIOUTKKWED-NRFANRHFSA-N 3 1 398.595 2.274 50 0 GEAAMP CC(C)(CO)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071760175 570849564 /nfs/dbraw/zinc/84/95/64/570849564.db2.gz BTPQMCHWXMPZNJ-FQEVSTJZSA-N 2 1 399.579 2.217 50 0 GEAAMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426661146 231250543 /nfs/dbraw/zinc/25/05/43/231250543.db2.gz AJMZOCXECWHNRI-QGZVFWFLSA-N 2 1 378.480 2.161 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(Cc1nccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595639 207143526 /nfs/dbraw/zinc/14/35/26/207143526.db2.gz QYAPIMOYSHHNOF-FQEVSTJZSA-N 2 1 377.577 2.065 50 0 GEAAMP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100357 207177324 /nfs/dbraw/zinc/17/73/24/207177324.db2.gz MOCWIFMWWNSHGX-UHFFFAOYSA-N 2 1 379.932 2.391 50 0 GEAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913392 207263242 /nfs/dbraw/zinc/26/32/42/207263242.db2.gz BYZZDKCBVXRMRP-JOCHJYFZSA-N 2 1 398.551 2.091 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912117 207264049 /nfs/dbraw/zinc/26/40/49/207264049.db2.gz SRSVPSQINNBBKN-NRFANRHFSA-N 2 1 377.577 2.065 50 0 GEAAMP CCN1CCC[C@H]1C[N@@H+](Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912117 207264052 /nfs/dbraw/zinc/26/40/52/207264052.db2.gz SRSVPSQINNBBKN-NRFANRHFSA-N 2 1 377.577 2.065 50 0 GEAAMP CCN1CCC[C@H]1C[N@H+](Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912117 207264055 /nfs/dbraw/zinc/26/40/55/207264055.db2.gz SRSVPSQINNBBKN-NRFANRHFSA-N 2 1 377.577 2.065 50 0 GEAAMP C[C@H](O)CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023338985 207274880 /nfs/dbraw/zinc/27/48/80/207274880.db2.gz IWTVFLQTHLHBNQ-IBGZPJMESA-N 2 1 387.568 2.293 50 0 GEAAMP Cc1ccccc1-n1cc(CN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cn1 ZINC000072428108 208021055 /nfs/dbraw/zinc/02/10/55/208021055.db2.gz MNKPOCCGOYDPTR-FQEVSTJZSA-N 2 1 381.524 2.213 50 0 GEAAMP O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072431733 208023984 /nfs/dbraw/zinc/02/39/84/208023984.db2.gz PUDOYFUKTVHPNG-FQEVSTJZSA-N 2 1 381.524 2.090 50 0 GEAAMP CN(C)[C@H]1CC[N@H+](CCCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)C1 ZINC000072434379 208024494 /nfs/dbraw/zinc/02/44/94/208024494.db2.gz VPCPUYJBQCMGJP-IBGZPJMESA-N 2 1 378.561 2.242 50 0 GEAAMP CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)C1 ZINC000072434379 208024501 /nfs/dbraw/zinc/02/45/01/208024501.db2.gz VPCPUYJBQCMGJP-IBGZPJMESA-N 2 1 378.561 2.242 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nc(C3CC3)no1)CC[NH+](C)CC2 ZINC000072431830 208024649 /nfs/dbraw/zinc/02/46/49/208024649.db2.gz LGQYBMFEEZJLHM-INIZCTEOSA-N 2 1 375.517 2.102 50 0 GEAAMP CCc1[nH+]ccn1CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OC ZINC000072447726 208027318 /nfs/dbraw/zinc/02/73/18/208027318.db2.gz VECZJOKSXMKDJP-RTWAWAEBSA-N 2 1 382.508 2.343 50 0 GEAAMP CSCC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091593592 208126498 /nfs/dbraw/zinc/12/64/98/208126498.db2.gz IVCNDHMOVMEXHG-SFHVURJKSA-N 2 1 379.574 2.118 50 0 GEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](CCn1cc(Cl)cn1)C2 ZINC000095379776 208171525 /nfs/dbraw/zinc/17/15/25/208171525.db2.gz AYIPLSUXMAPFPM-RLLQIKCJSA-N 2 1 396.963 2.376 50 0 GEAAMP COCCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091964655 208144406 /nfs/dbraw/zinc/14/44/06/208144406.db2.gz LHOCNXZGHBXCQV-NRFANRHFSA-N 2 1 399.579 2.483 50 0 GEAAMP COc1ccc(C[NH+]2CCC(OC)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095496578 208197177 /nfs/dbraw/zinc/19/71/77/208197177.db2.gz AOXVKINZWCJVLN-SFHVURJKSA-N 2 1 380.529 2.386 50 0 GEAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 ZINC000095512537 208213913 /nfs/dbraw/zinc/21/39/13/208213913.db2.gz YEYAHNQOHUKCID-KRWDZBQOSA-N 2 1 380.500 2.195 50 0 GEAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000095527675 208225627 /nfs/dbraw/zinc/22/56/27/208225627.db2.gz NHMZZGVQQAKNLJ-LJQANCHMSA-N 2 1 394.556 2.370 50 0 GEAAMP CN(CC[NH+](C)C)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095527786 208225697 /nfs/dbraw/zinc/22/56/97/208225697.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 2 1 397.563 2.478 50 0 GEAAMP C[N@@H+](CCCO)Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526263 208227111 /nfs/dbraw/zinc/22/71/11/208227111.db2.gz LSPSMHBMWQTBMR-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000095526263 208227118 /nfs/dbraw/zinc/22/71/18/208227118.db2.gz LSPSMHBMWQTBMR-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000095526263 208227122 /nfs/dbraw/zinc/22/71/22/208227122.db2.gz LSPSMHBMWQTBMR-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1cscn1)C[C@@H]2CO ZINC000097155776 208339661 /nfs/dbraw/zinc/33/96/61/208339661.db2.gz UDQQTKZMKRAQME-GOSISDBHSA-N 2 1 389.569 2.282 50 0 GEAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)CC[N@@H+](Cc1cscn1)C[C@@H]2CO ZINC000097155776 208339665 /nfs/dbraw/zinc/33/96/65/208339665.db2.gz UDQQTKZMKRAQME-GOSISDBHSA-N 2 1 389.569 2.282 50 0 GEAAMP CN(CC1CC[NH+](CCO)CC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299783773 209089373 /nfs/dbraw/zinc/08/93/73/209089373.db2.gz YFMSREZBKMBAJU-BDTNDASRSA-N 2 1 385.552 2.375 50 0 GEAAMP CCC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255910 570754219 /nfs/dbraw/zinc/75/42/19/570754219.db2.gz AALWSINTCDPQEP-OAQYLSRUSA-N 2 1 393.535 2.400 50 0 GEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000072126553 570867644 /nfs/dbraw/zinc/86/76/44/570867644.db2.gz CRBIQBYVDZFLPM-ZRZAMGCNSA-N 2 1 389.543 2.376 50 0 GEAAMP COc1cc2[nH]c(=O)c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c(OC)c1OC ZINC000072159456 570874939 /nfs/dbraw/zinc/87/49/39/570874939.db2.gz NCGDTQREBPAYTM-HNNXBMFYSA-N 2 1 389.496 2.470 50 0 GEAAMP COc1cc2[nH]c(=O)c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c(OC)c1OC ZINC000072159456 570874940 /nfs/dbraw/zinc/87/49/40/570874940.db2.gz NCGDTQREBPAYTM-HNNXBMFYSA-N 2 1 389.496 2.470 50 0 GEAAMP Cc1cc(C)n(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000015066194 207043261 /nfs/dbraw/zinc/04/32/61/207043261.db2.gz LPDMVCXVCAKZQX-IBGZPJMESA-N 2 1 375.561 2.201 50 0 GEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1 ZINC000020783313 207214840 /nfs/dbraw/zinc/21/48/40/207214840.db2.gz KCPBURQAZAZMAC-JOCHJYFZSA-N 2 1 383.536 2.006 50 0 GEAAMP Cc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cn1 ZINC000072428109 208021101 /nfs/dbraw/zinc/02/11/01/208021101.db2.gz MNKPOCCGOYDPTR-HXUWFJFHSA-N 2 1 381.524 2.213 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccnc1 ZINC000015068746 208035784 /nfs/dbraw/zinc/03/57/84/208035784.db2.gz WYHBRHDRGGMNJS-OAQYLSRUSA-N 2 1 388.556 2.367 50 0 GEAAMP CCn1ccc2cc(C[N@H+]3C[C@H](CO)[C@H](CN4CC[NH+](CC)CC4)C3)ccc21 ZINC000095370918 208166411 /nfs/dbraw/zinc/16/64/11/208166411.db2.gz DPRRIWFCNZNDQA-FGZHOGPDSA-N 2 1 384.568 2.339 50 0 GEAAMP COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095522478 208221242 /nfs/dbraw/zinc/22/12/42/208221242.db2.gz GVLJLHYJOJDSMY-HXUWFJFHSA-N 2 1 393.572 2.301 50 0 GEAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095524154 208224352 /nfs/dbraw/zinc/22/43/52/208224352.db2.gz VRKPCTHCYIIYCN-QGZVFWFLSA-N 2 1 398.594 2.033 50 0 GEAAMP CN(CC[NH+](C)C)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095527787 208227820 /nfs/dbraw/zinc/22/78/20/208227820.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 2 1 397.563 2.478 50 0 GEAAMP Cc1sc2nc(CC[NH3+])nc(N3CC[N@@H+](CC4CC4)[C@H](CCO)C3)c2c1C ZINC000065405605 136163903 /nfs/dbraw/zinc/16/39/03/136163903.db2.gz XHQWUSYEUBULQC-MRXNPFEDSA-N 2 1 389.569 2.092 50 0 GEAAMP CN(C)c1nc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ncc1F ZINC000095361622 136178062 /nfs/dbraw/zinc/17/80/62/136178062.db2.gz ILMDCAXPSGLCLL-HNNXBMFYSA-N 2 1 375.496 2.214 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)nc1 ZINC000071708129 534916679 /nfs/dbraw/zinc/91/66/79/534916679.db2.gz HYNOWZURXOGKOP-SJORKVTESA-N 2 1 384.528 2.408 50 0 GEAAMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCCCCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000072309065 570530198 /nfs/dbraw/zinc/53/01/98/570530198.db2.gz MLELBJXKVZSNIX-WOJBJXKFSA-N 2 1 394.604 2.432 50 0 GEAAMP CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)cn1 ZINC000012073223 570604623 /nfs/dbraw/zinc/60/46/23/570604623.db2.gz NNRODNCWXLCWJJ-IBGZPJMESA-N 2 1 390.528 2.281 50 0 GEAAMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048462704 570658747 /nfs/dbraw/zinc/65/87/47/570658747.db2.gz KRHDJXJCFQHKQC-GOSISDBHSA-N 2 1 392.507 2.047 50 0 GEAAMP CCn1ccnc1C[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCC2)c(OC)c1 ZINC000012447028 570689884 /nfs/dbraw/zinc/68/98/84/570689884.db2.gz YFMMKARFGYIFKJ-GOSISDBHSA-N 2 1 388.512 2.037 50 0 GEAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000065467702 570770179 /nfs/dbraw/zinc/77/01/79/570770179.db2.gz JIEZXZLAONTQHB-UHFFFAOYSA-N 2 1 381.480 2.030 50 0 GEAAMP CN(CCCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071708096 570843192 /nfs/dbraw/zinc/84/31/92/570843192.db2.gz QJJLSCHERXMMPK-OAQYLSRUSA-N 2 1 387.568 2.246 50 0 GEAAMP CN(CCCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071708096 570843195 /nfs/dbraw/zinc/84/31/95/570843195.db2.gz QJJLSCHERXMMPK-OAQYLSRUSA-N 2 1 387.568 2.246 50 0 GEAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071754545 570848187 /nfs/dbraw/zinc/84/81/87/570848187.db2.gz PVIVCXHNCGFNNU-OAQYLSRUSA-N 2 1 399.579 2.389 50 0 GEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071754545 570848189 /nfs/dbraw/zinc/84/81/89/570848189.db2.gz PVIVCXHNCGFNNU-OAQYLSRUSA-N 2 1 399.579 2.389 50 0 GEAAMP CC(C)(CO)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071760174 570849579 /nfs/dbraw/zinc/84/95/79/570849579.db2.gz BTPQMCHWXMPZNJ-HXUWFJFHSA-N 2 1 399.579 2.217 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763685 570850995 /nfs/dbraw/zinc/85/09/95/570850995.db2.gz RZPWYZIATQHABF-QGZVFWFLSA-N 2 1 399.539 2.186 50 0 GEAAMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000170607424 570864194 /nfs/dbraw/zinc/86/41/94/570864194.db2.gz GVRJGZQUCLPXNL-UHFFFAOYSA-N 2 1 390.547 2.390 50 0 GEAAMP COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015061946 210145826 /nfs/dbraw/zinc/14/58/26/210145826.db2.gz JTMJVXFJZFLPAP-IBGZPJMESA-N 2 1 395.588 2.453 50 0 GEAAMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015061946 210145831 /nfs/dbraw/zinc/14/58/31/210145831.db2.gz JTMJVXFJZFLPAP-IBGZPJMESA-N 3 1 395.588 2.453 50 0 GEAAMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015061946 210145835 /nfs/dbraw/zinc/14/58/35/210145835.db2.gz JTMJVXFJZFLPAP-IBGZPJMESA-N 3 1 395.588 2.453 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1F ZINC000058174297 531827783 /nfs/dbraw/zinc/82/77/83/531827783.db2.gz XYMKPMKSBDONAB-AWEZNQCLSA-N 2 1 375.485 2.001 50 0 GEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000095517231 211264154 /nfs/dbraw/zinc/26/41/54/211264154.db2.gz MACMCPYQHFXVQQ-HXUWFJFHSA-N 2 1 375.557 2.296 50 0 GEAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000095527676 211272998 /nfs/dbraw/zinc/27/29/98/211272998.db2.gz NHMZZGVQQAKNLJ-IBGZPJMESA-N 2 1 394.556 2.370 50 0 GEAAMP COCCNC(=O)c1ccc(OC2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000095528020 211271601 /nfs/dbraw/zinc/27/16/01/211271601.db2.gz IQNFPAYQWCUDLI-UHFFFAOYSA-N 2 1 395.931 2.311 50 0 GEAAMP C[NH+]1CCN(C[C@H](O)COc2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517262 211264956 /nfs/dbraw/zinc/26/49/56/211264956.db2.gz SCULXUDQGWDTDO-NRFANRHFSA-N 2 1 387.568 2.440 50 0 GEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517262 211264965 /nfs/dbraw/zinc/26/49/65/211264965.db2.gz SCULXUDQGWDTDO-NRFANRHFSA-N 2 1 387.568 2.440 50 0 GEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517262 211264966 /nfs/dbraw/zinc/26/49/66/211264966.db2.gz SCULXUDQGWDTDO-NRFANRHFSA-N 2 1 387.568 2.440 50 0 GEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517263 211264526 /nfs/dbraw/zinc/26/45/26/211264526.db2.gz SCULXUDQGWDTDO-OAQYLSRUSA-N 2 1 387.568 2.440 50 0 GEAAMP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517263 211264509 /nfs/dbraw/zinc/26/45/09/211264509.db2.gz SCULXUDQGWDTDO-OAQYLSRUSA-N 2 1 387.568 2.440 50 0 GEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517263 211264524 /nfs/dbraw/zinc/26/45/24/211264524.db2.gz SCULXUDQGWDTDO-OAQYLSRUSA-N 2 1 387.568 2.440 50 0 GEAAMP CN(C)C(=O)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095503936 211256056 /nfs/dbraw/zinc/25/60/56/211256056.db2.gz VNVCPAGUUCZRCJ-QHCPKHFHSA-N 2 1 399.579 2.435 50 0 GEAAMP CC(C)Oc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091391174 211190706 /nfs/dbraw/zinc/19/07/06/211190706.db2.gz GKNXCNSUSKPELU-NHCUHLMSSA-N 2 1 375.557 2.152 50 0 GEAAMP CC(C)Oc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091391174 211190709 /nfs/dbraw/zinc/19/07/09/211190709.db2.gz GKNXCNSUSKPELU-NHCUHLMSSA-N 2 1 375.557 2.152 50 0 GEAAMP CC(C)Oc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091391174 211190702 /nfs/dbraw/zinc/19/07/02/211190702.db2.gz GKNXCNSUSKPELU-NHCUHLMSSA-N 2 1 375.557 2.152 50 0 GEAAMP CC(C)SCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082156614 211164115 /nfs/dbraw/zinc/16/41/15/211164115.db2.gz BJSQGKSSQNEAJI-SFHVURJKSA-N 2 1 383.602 2.163 50 0 GEAAMP CC(C)SCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082156614 211164119 /nfs/dbraw/zinc/16/41/19/211164119.db2.gz BJSQGKSSQNEAJI-SFHVURJKSA-N 2 1 383.602 2.163 50 0 GEAAMP CC(C)SCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082156615 211163706 /nfs/dbraw/zinc/16/37/06/211163706.db2.gz BJSQGKSSQNEAJI-GOSISDBHSA-N 2 1 383.602 2.163 50 0 GEAAMP CC(C)SCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082156615 211163710 /nfs/dbraw/zinc/16/37/10/211163710.db2.gz BJSQGKSSQNEAJI-GOSISDBHSA-N 2 1 383.602 2.163 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071751020 211055315 /nfs/dbraw/zinc/05/53/15/211055315.db2.gz AEHFCKXPSZFJSM-QGZVFWFLSA-N 2 1 399.539 2.186 50 0 GEAAMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000020531742 210343471 /nfs/dbraw/zinc/34/34/71/210343471.db2.gz YPDBNJZKJBDEAH-GOSISDBHSA-N 2 1 391.556 2.485 50 0 GEAAMP CC[NH+]1CCN(C2CCN(C(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)CC2)CC1 ZINC000020472549 210339763 /nfs/dbraw/zinc/33/97/63/210339763.db2.gz WRGZSPOCCXNTSJ-KRWDZBQOSA-N 2 1 376.570 2.415 50 0 GEAAMP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102732 210316980 /nfs/dbraw/zinc/31/69/80/210316980.db2.gz VUAVXYVSYUEXSI-UHFFFAOYSA-N 2 1 379.932 2.391 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(Cc1nccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595638 210275464 /nfs/dbraw/zinc/27/54/64/210275464.db2.gz QYAPIMOYSHHNOF-HXUWFJFHSA-N 2 1 377.577 2.065 50 0 GEAAMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048462705 570658867 /nfs/dbraw/zinc/65/88/67/570658867.db2.gz KRHDJXJCFQHKQC-SFHVURJKSA-N 2 1 392.507 2.047 50 0 GEAAMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH2+]CCN3CCC(O)CC3)cc2)C1 ZINC000055360722 570692231 /nfs/dbraw/zinc/69/22/31/570692231.db2.gz WHWZXPVEUIBULW-LJQANCHMSA-N 2 1 375.557 2.344 50 0 GEAAMP Cc1ccc(C2(C[N@@H+]3CCC[C@@H](C(=O)c4nccn4C)C3)CC[NH2+]CC2)nc1 ZINC000065384223 570763496 /nfs/dbraw/zinc/76/34/96/570763496.db2.gz KHLZPYYLJXAEHX-GOSISDBHSA-N 2 1 381.524 2.340 50 0 GEAAMP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019228492 210233425 /nfs/dbraw/zinc/23/34/25/210233425.db2.gz RRYRXNDYILJHPX-NRFANRHFSA-N 2 1 375.557 2.437 50 0 GEAAMP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019228492 210233428 /nfs/dbraw/zinc/23/34/28/210233428.db2.gz RRYRXNDYILJHPX-NRFANRHFSA-N 2 1 375.557 2.437 50 0 GEAAMP OCC[N@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299775798 212034900 /nfs/dbraw/zinc/03/49/00/212034900.db2.gz JVSWZSHDEYBGOP-UHFFFAOYSA-N 2 1 383.492 2.312 50 0 GEAAMP OCC[N@@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299775798 212034895 /nfs/dbraw/zinc/03/48/95/212034895.db2.gz JVSWZSHDEYBGOP-UHFFFAOYSA-N 2 1 383.492 2.312 50 0 GEAAMP COCC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cccc(F)c3)CC2)CC1 ZINC000097528101 211366620 /nfs/dbraw/zinc/36/66/20/211366620.db2.gz GROZFCRVHHNNJM-UHFFFAOYSA-N 2 1 377.504 2.218 50 0 GEAAMP COCC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3cccc(F)c3)CC2)CC1 ZINC000097528101 211366624 /nfs/dbraw/zinc/36/66/24/211366624.db2.gz GROZFCRVHHNNJM-UHFFFAOYSA-N 2 1 377.504 2.218 50 0 GEAAMP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)CC[N@H+](C1CCOCC1)C[C@H]2CO ZINC000097522010 211366042 /nfs/dbraw/zinc/36/60/42/211366042.db2.gz VRRPSWIARJBELQ-SFHVURJKSA-N 2 1 376.545 2.102 50 0 GEAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000096153775 211311752 /nfs/dbraw/zinc/31/17/52/211311752.db2.gz WQLVDAHVBQAUMD-OAQYLSRUSA-N 2 1 385.552 2.437 50 0 GEAAMP CC[N@@H+](CCO)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095528687 211275992 /nfs/dbraw/zinc/27/59/92/211275992.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095528687 211275995 /nfs/dbraw/zinc/27/59/95/211275995.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095528687 211276000 /nfs/dbraw/zinc/27/60/00/211276000.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[N@@H+](CCO)Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526236 211272219 /nfs/dbraw/zinc/27/22/19/211272219.db2.gz BPUZBVCUEYJDIC-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000095526236 211272222 /nfs/dbraw/zinc/27/22/22/211272222.db2.gz BPUZBVCUEYJDIC-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000095526236 211272226 /nfs/dbraw/zinc/27/22/26/211272226.db2.gz BPUZBVCUEYJDIC-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1)C1CC1 ZINC000095503897 211254841 /nfs/dbraw/zinc/25/48/41/211254841.db2.gz ZXNXELXLQDWYMF-GOSISDBHSA-N 2 1 380.554 2.468 50 0 GEAAMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cc1C ZINC000092045477 211214052 /nfs/dbraw/zinc/21/40/52/211214052.db2.gz PDFNABWELWYWBA-RTWAWAEBSA-N 2 1 375.557 2.214 50 0 GEAAMP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)cc1 ZINC000091665744 211203937 /nfs/dbraw/zinc/20/39/37/211203937.db2.gz NTHPVLHAWKRDGX-UHFFFAOYSA-N 2 1 395.551 2.358 50 0 GEAAMP CCN(CCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091690889 211202889 /nfs/dbraw/zinc/20/28/89/211202889.db2.gz KFNYBAMPOLQWDD-NRFANRHFSA-N 2 1 399.579 2.171 50 0 GEAAMP CC(C)(CO)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071755275 211059236 /nfs/dbraw/zinc/05/92/36/211059236.db2.gz RHLOONTWBXMITN-FQEVSTJZSA-N 2 1 387.568 2.293 50 0 GEAAMP CC(C)(CO)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071755275 211059238 /nfs/dbraw/zinc/05/92/38/211059238.db2.gz RHLOONTWBXMITN-FQEVSTJZSA-N 2 1 387.568 2.293 50 0 GEAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067851128 211024462 /nfs/dbraw/zinc/02/44/62/211024462.db2.gz LHOZNUXOFTXMJE-GOSISDBHSA-N 2 1 391.523 2.486 50 0 GEAAMP COc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1Br ZINC000020967621 210371614 /nfs/dbraw/zinc/37/16/14/210371614.db2.gz LRWCKYIXBCOIDZ-UHFFFAOYSA-N 2 1 396.123 2.282 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH+]1CCC(C)CC1)C2 ZINC000020877579 210364062 /nfs/dbraw/zinc/36/40/62/210364062.db2.gz FQSCOUVNIMROJH-SFHVURJKSA-N 2 1 387.572 2.270 50 0 GEAAMP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000020531759 210344052 /nfs/dbraw/zinc/34/40/52/210344052.db2.gz PXWOJXLJURSGAO-CALCHBBNSA-N 2 1 391.556 2.483 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000019839341 210301287 /nfs/dbraw/zinc/30/12/87/210301287.db2.gz XGNHIMACTCFBNU-OAQYLSRUSA-N 2 1 375.557 2.440 50 0 GEAAMP C[NH+](C)C1(C[NH2+]C2CCN(c3ncnc4ccsc43)CC2)CCOCC1 ZINC000096140228 536112922 /nfs/dbraw/zinc/11/29/22/536112922.db2.gz NUTSXVHTEZBASG-UHFFFAOYSA-N 2 1 375.542 2.361 50 0 GEAAMP Cc1c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237242601 570340821 /nfs/dbraw/zinc/34/08/21/570340821.db2.gz LOPXWZGUCPGSRA-LJQANCHMSA-N 2 1 396.539 2.105 50 0 GEAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000244882769 570433892 /nfs/dbraw/zinc/43/38/92/570433892.db2.gz XYSOSYIQGOZRKL-NJYVYQBISA-N 2 1 399.583 2.144 50 0 GEAAMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccco1 ZINC000534664246 570922727 /nfs/dbraw/zinc/92/27/27/570922727.db2.gz IVIWHOPEIKGHRA-SFHVURJKSA-N 2 1 378.517 2.169 50 0 GEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](CC(C)C)C2)cn1 ZINC000014748222 210126749 /nfs/dbraw/zinc/12/67/49/210126749.db2.gz IKQWNZCGUUCXQL-RBUKOAKNSA-N 2 1 376.545 2.041 50 0 GEAAMP Cc1nccnc1C[N@H+]1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@H](CO)C1 ZINC000097244206 211361653 /nfs/dbraw/zinc/36/16/53/211361653.db2.gz BTNRAKCLYSFNIN-FQEVSTJZSA-N 2 1 381.524 2.277 50 0 GEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000095517232 211263614 /nfs/dbraw/zinc/26/36/14/211263614.db2.gz MACMCPYQHFXVQQ-FQEVSTJZSA-N 2 1 375.557 2.296 50 0 GEAAMP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095524664 211268886 /nfs/dbraw/zinc/26/88/86/211268886.db2.gz WVFXZBXHWHCOBP-SFHVURJKSA-N 2 1 380.529 2.386 50 0 GEAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+]2CCCC2(C)C)c1 ZINC000095520492 211266957 /nfs/dbraw/zinc/26/69/57/211266957.db2.gz FWOQTRAAWDIXRH-IBGZPJMESA-N 2 1 392.540 2.266 50 0 GEAAMP COc1cc(C[N@H+](C)Cc2c[nH]nc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095512967 211261867 /nfs/dbraw/zinc/26/18/67/211261867.db2.gz JOCSGUINKUENMU-IBGZPJMESA-N 2 1 388.512 2.194 50 0 GEAAMP COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095512967 211261870 /nfs/dbraw/zinc/26/18/70/211261870.db2.gz JOCSGUINKUENMU-IBGZPJMESA-N 2 1 388.512 2.194 50 0 GEAAMP C[NH+]1CCN(Cc2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259396 /nfs/dbraw/zinc/25/93/96/211259396.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 2 1 395.547 2.232 50 0 GEAAMP COc1ccc(C[N@H+]2CCCC2(C)C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095498750 211252880 /nfs/dbraw/zinc/25/28/80/211252880.db2.gz JPCYGAMKHRYOSA-LJQANCHMSA-N 2 1 391.556 2.057 50 0 GEAAMP COc1ccc(C[N@@H+]2CCCC2(C)C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095498750 211252888 /nfs/dbraw/zinc/25/28/88/211252888.db2.gz JPCYGAMKHRYOSA-LJQANCHMSA-N 2 1 391.556 2.057 50 0 GEAAMP COc1ccc(C[N@H+]2CCCC2(C)C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095498750 211252890 /nfs/dbraw/zinc/25/28/90/211252890.db2.gz JPCYGAMKHRYOSA-LJQANCHMSA-N 2 1 391.556 2.057 50 0 GEAAMP Cn1ccc2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](CCCO)C3)cc21 ZINC000095386966 211235139 /nfs/dbraw/zinc/23/51/39/211235139.db2.gz DLSPRRLJJGKONM-YADHBBJMSA-N 2 1 384.568 2.389 50 0 GEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CO)CC1 ZINC000091364989 211189536 /nfs/dbraw/zinc/18/95/36/211189536.db2.gz YFSNMHVYDSIDJB-QZTJIDSGSA-N 2 1 385.474 2.383 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1nc3ccccc3[nH]1)CC[NH+](C)CC2 ZINC000072463095 211121662 /nfs/dbraw/zinc/12/16/62/211121662.db2.gz FVTBYQGNJDODAW-LJQANCHMSA-N 2 1 383.540 2.418 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[NH2+]C3)nc1 ZINC000071751225 211056418 /nfs/dbraw/zinc/05/64/18/211056418.db2.gz FRSZDSSMLRWMDE-HDICACEKSA-N 2 1 382.512 2.162 50 0 GEAAMP O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]CC12CCC[NH+]1CCC2 ZINC000067884081 211027614 /nfs/dbraw/zinc/02/76/14/211027614.db2.gz VUICBEOWAAMVRQ-NRFANRHFSA-N 2 1 393.478 2.036 50 0 GEAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067851130 211024908 /nfs/dbraw/zinc/02/49/08/211024908.db2.gz LHOZNUXOFTXMJE-SFHVURJKSA-N 2 1 391.523 2.486 50 0 GEAAMP COc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)c(C)c1C ZINC000072418385 136169742 /nfs/dbraw/zinc/16/97/42/136169742.db2.gz ICJBFFQTNIIUTE-GOSISDBHSA-N 2 1 385.512 2.066 50 0 GEAAMP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000215883941 570292903 /nfs/dbraw/zinc/29/29/03/570292903.db2.gz XBWFFUSCMRTIPH-GOTSBHOMSA-N 2 1 380.536 2.247 50 0 GEAAMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000215883941 570292905 /nfs/dbraw/zinc/29/29/05/570292905.db2.gz XBWFFUSCMRTIPH-GOTSBHOMSA-N 2 1 380.536 2.247 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000012301079 570298889 /nfs/dbraw/zinc/29/88/89/570298889.db2.gz BRKJWQAOIHMLON-LJQANCHMSA-N 2 1 375.561 2.496 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000012301079 570298893 /nfs/dbraw/zinc/29/88/93/570298893.db2.gz BRKJWQAOIHMLON-LJQANCHMSA-N 2 1 375.561 2.496 50 0 GEAAMP Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC[C@@H](Cn3cc(C[NH3+])nn3)C2)c1 ZINC000023251687 570352852 /nfs/dbraw/zinc/35/28/52/570352852.db2.gz JUCZQPKZCJERNC-GOSISDBHSA-N 2 1 379.512 2.452 50 0 GEAAMP CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000023354067 570356196 /nfs/dbraw/zinc/35/61/96/570356196.db2.gz GSIAALZMHXTSJU-FGZHOGPDSA-N 2 1 386.584 2.288 50 0 GEAAMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237523440 570376576 /nfs/dbraw/zinc/37/65/76/570376576.db2.gz UVOVOYTYEHWSLJ-QGZVFWFLSA-N 2 1 396.539 2.365 50 0 GEAAMP CC[NH+](CC)CCSCC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301481 570505001 /nfs/dbraw/zinc/50/50/01/570505001.db2.gz WDRBSJJPDUWLEO-LJQANCHMSA-N 2 1 392.613 2.388 50 0 GEAAMP COCCCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000055042170 570679950 /nfs/dbraw/zinc/67/99/50/570679950.db2.gz GVFSHFGUZHAOSS-SFHVURJKSA-N 2 1 377.529 2.451 50 0 GEAAMP O=C1CCCN1C[C@@H]1CCC[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244690833 570694803 /nfs/dbraw/zinc/69/48/03/570694803.db2.gz IXSQUOHVLARDTK-JOCHJYFZSA-N 2 1 384.568 2.139 50 0 GEAAMP CCOc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)ccc1O ZINC000004551607 570871929 /nfs/dbraw/zinc/87/19/29/570871929.db2.gz IFCAXPSGEURBBY-UHFFFAOYSA-N 2 1 375.513 2.167 50 0 GEAAMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426661145 231250688 /nfs/dbraw/zinc/25/06/88/231250688.db2.gz AJMZOCXECWHNRI-KRWDZBQOSA-N 2 1 378.480 2.161 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1F ZINC000058174295 531828187 /nfs/dbraw/zinc/82/81/87/531828187.db2.gz XYMKPMKSBDONAB-CQSZACIVSA-N 2 1 375.485 2.001 50 0 GEAAMP COc1ccc(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1C[NH+]1CCCC1 ZINC000299765824 212033023 /nfs/dbraw/zinc/03/30/23/212033023.db2.gz BWMKIKRHQGPZNE-PZJWPPBQSA-N 2 1 383.496 2.228 50 0 GEAAMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108421032 209163986 /nfs/dbraw/zinc/16/39/86/209163986.db2.gz DUAFGBVLGSGNJS-QGZVFWFLSA-N 2 1 389.931 2.369 50 0 GEAAMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108421032 209163981 /nfs/dbraw/zinc/16/39/81/209163981.db2.gz DUAFGBVLGSGNJS-QGZVFWFLSA-N 2 1 389.931 2.369 50 0 GEAAMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC000097447046 211365371 /nfs/dbraw/zinc/36/53/71/211365371.db2.gz RGVDYWASFURDJF-SFHVURJKSA-N 2 1 377.504 2.469 50 0 GEAAMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC000097447046 211365378 /nfs/dbraw/zinc/36/53/78/211365378.db2.gz RGVDYWASFURDJF-SFHVURJKSA-N 2 1 377.504 2.469 50 0 GEAAMP O[C@@H](COc1cccc(C[NH+]2CCC(O)CC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095519291 211264262 /nfs/dbraw/zinc/26/42/62/211264262.db2.gz ZKBUGPRHWQNJGR-HSZRJFAPSA-N 2 1 396.531 2.441 50 0 GEAAMP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000095524907 211270472 /nfs/dbraw/zinc/27/04/72/211270472.db2.gz HAMCQAZCOHQKRK-OAQYLSRUSA-N 2 1 383.540 2.439 50 0 GEAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)CC1 ZINC000095498052 211250862 /nfs/dbraw/zinc/25/08/62/211250862.db2.gz HUZIHYJIXZJFMT-UHFFFAOYSA-N 2 1 387.572 2.304 50 0 GEAAMP CC[N@H+]1CCCN(Cc2ccc(OC)c(OC[C@H](O)C[NH+](C)C(C)C)c2)CC1 ZINC000095504856 211258027 /nfs/dbraw/zinc/25/80/27/211258027.db2.gz VDTCESMVHFERCP-HXUWFJFHSA-N 2 1 393.572 2.303 50 0 GEAAMP CC[NH+]1CCCN(Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000095504856 211258029 /nfs/dbraw/zinc/25/80/29/211258029.db2.gz VDTCESMVHFERCP-HXUWFJFHSA-N 2 1 393.572 2.303 50 0 GEAAMP CC[NH+]1CCCN(Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000095504856 211258032 /nfs/dbraw/zinc/25/80/32/211258032.db2.gz VDTCESMVHFERCP-HXUWFJFHSA-N 2 1 393.572 2.303 50 0 GEAAMP COc1c(C)cc(C)cc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000091755840 211205978 /nfs/dbraw/zinc/20/59/78/211205978.db2.gz YVGSCFPMDJUOSC-NHCUHLMSSA-N 2 1 376.541 2.057 50 0 GEAAMP COc1c(C)cc(C)cc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000091755840 211205976 /nfs/dbraw/zinc/20/59/76/211205976.db2.gz YVGSCFPMDJUOSC-NHCUHLMSSA-N 2 1 376.541 2.057 50 0 GEAAMP [NH3+]CCc1cccc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c1 ZINC000082133762 211162849 /nfs/dbraw/zinc/16/28/49/211162849.db2.gz UDEGVFWRJXPSQK-UHFFFAOYSA-N 2 1 381.524 2.207 50 0 GEAAMP [NH3+]CCc1cccc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c1 ZINC000082133762 211162853 /nfs/dbraw/zinc/16/28/53/211162853.db2.gz UDEGVFWRJXPSQK-UHFFFAOYSA-N 2 1 381.524 2.207 50 0 GEAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3cccc(C)c3)CC2)OC1=O ZINC000072423486 211116487 /nfs/dbraw/zinc/11/64/87/211116487.db2.gz PZUXCTZDANSUEF-UHFFFAOYSA-N 2 1 375.513 2.360 50 0 GEAAMP c1c(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)nn2c1C[NH2+]CCC2 ZINC000072169715 211079568 /nfs/dbraw/zinc/07/95/68/211079568.db2.gz KYQMVCWGFJZEJZ-MRXNPFEDSA-N 2 1 379.468 2.201 50 0 GEAAMP c1c(C[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)nn2c1C[NH2+]CCC2 ZINC000072169715 211079572 /nfs/dbraw/zinc/07/95/72/211079572.db2.gz KYQMVCWGFJZEJZ-MRXNPFEDSA-N 2 1 379.468 2.201 50 0 GEAAMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121061 211071253 /nfs/dbraw/zinc/07/12/53/211071253.db2.gz FXHYVOAUFVBZDA-OAHLLOKOSA-N 2 1 375.542 2.367 50 0 GEAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121061 211071257 /nfs/dbraw/zinc/07/12/57/211071257.db2.gz FXHYVOAUFVBZDA-OAHLLOKOSA-N 2 1 375.542 2.367 50 0 GEAAMP O=C(NCc1ccncn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071770823 211062184 /nfs/dbraw/zinc/06/21/84/211062184.db2.gz OEXAZJSNQXKPNG-FQEVSTJZSA-N 2 1 393.535 2.469 50 0 GEAAMP O=C(NCc1ccncn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071770823 211062189 /nfs/dbraw/zinc/06/21/89/211062189.db2.gz OEXAZJSNQXKPNG-FQEVSTJZSA-N 2 1 393.535 2.469 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763686 211061104 /nfs/dbraw/zinc/06/11/04/211061104.db2.gz RZPWYZIATQHABF-KRWDZBQOSA-N 2 1 399.539 2.186 50 0 GEAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071748828 211054556 /nfs/dbraw/zinc/05/45/56/211054556.db2.gz KYUUZXVOMZPCTI-INIZCTEOSA-N 2 1 386.544 2.256 50 0 GEAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071748828 211054559 /nfs/dbraw/zinc/05/45/59/211054559.db2.gz KYUUZXVOMZPCTI-INIZCTEOSA-N 2 1 386.544 2.256 50 0 GEAAMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426698191 528740092 /nfs/dbraw/zinc/74/00/92/528740092.db2.gz HICYXSKTTGPUSC-OAQYLSRUSA-N 2 1 388.556 2.262 50 0 GEAAMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426698191 528740097 /nfs/dbraw/zinc/74/00/97/528740097.db2.gz HICYXSKTTGPUSC-OAQYLSRUSA-N 2 1 388.556 2.262 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912114 570333656 /nfs/dbraw/zinc/33/36/56/570333656.db2.gz SRSVPSQINNBBKN-OAQYLSRUSA-N 2 1 377.577 2.065 50 0 GEAAMP CCN1CCC[C@@H]1C[N@@H+](Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912114 570333659 /nfs/dbraw/zinc/33/36/59/570333659.db2.gz SRSVPSQINNBBKN-OAQYLSRUSA-N 2 1 377.577 2.065 50 0 GEAAMP CCN1CCC[C@@H]1C[N@H+](Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912114 570333661 /nfs/dbraw/zinc/33/36/61/570333661.db2.gz SRSVPSQINNBBKN-OAQYLSRUSA-N 2 1 377.577 2.065 50 0 GEAAMP Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](Cn4cc(C[NH3+])nn4)C3)c2)n1 ZINC000023399187 570361030 /nfs/dbraw/zinc/36/10/30/570361030.db2.gz FNAPORMFLOPYMA-LJQANCHMSA-N 2 1 379.512 2.452 50 0 GEAAMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc2c(c1)OCO2 ZINC000004299492 570366214 /nfs/dbraw/zinc/36/62/14/570366214.db2.gz UAAFEWNHVDVMFZ-IBGZPJMESA-N 2 1 384.476 2.409 50 0 GEAAMP COCCn1c(C[NH2+]Cc2csc3c2CCCC3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223223143 570451120 /nfs/dbraw/zinc/45/11/20/570451120.db2.gz HSLSBMUINCQOOX-CTYIDZIISA-N 2 1 375.542 2.359 50 0 GEAAMP CCn1ccnc1C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCC2)c(OC)c1 ZINC000012447026 570689838 /nfs/dbraw/zinc/68/98/38/570689838.db2.gz YFMMKARFGYIFKJ-SFHVURJKSA-N 2 1 388.512 2.037 50 0 GEAAMP C[NH+]1CCC(N2CC[N@H+](C3CCN(c4ccccc4)CC3)C[C@H]2CCO)CC1 ZINC000104456469 570900439 /nfs/dbraw/zinc/90/04/39/570900439.db2.gz VYVFYTVGQHPMNO-HSZRJFAPSA-N 2 1 386.584 2.118 50 0 GEAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC2CCC2)c1 ZINC000095523392 571088674 /nfs/dbraw/zinc/08/86/74/571088674.db2.gz QSANPAINMCWUMM-HXUWFJFHSA-N 2 1 392.540 2.124 50 0 GEAAMP COc1ccc(C[NH2+]C2CCCCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019224907 210232956 /nfs/dbraw/zinc/23/29/56/210232956.db2.gz DFBRMAYPRGVPHC-FQEVSTJZSA-N 2 1 391.556 2.105 50 0 GEAAMP COC(=O)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015065242 210144708 /nfs/dbraw/zinc/14/47/08/210144708.db2.gz KWGDNQURCDFGBJ-IBGZPJMESA-N 2 1 387.524 2.042 50 0 GEAAMP COC(=O)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015065242 210144711 /nfs/dbraw/zinc/14/47/11/210144711.db2.gz KWGDNQURCDFGBJ-IBGZPJMESA-N 2 1 387.524 2.042 50 0 GEAAMP CCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C[C@H]2CO ZINC000097425142 211365821 /nfs/dbraw/zinc/36/58/21/211365821.db2.gz BXMFYVUBWTUWEQ-IBGZPJMESA-N 2 1 384.528 2.173 50 0 GEAAMP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519110 211264294 /nfs/dbraw/zinc/26/42/94/211264294.db2.gz NOFPLPMPYOSRIW-FQEVSTJZSA-N 2 1 389.540 2.013 50 0 GEAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519110 211264298 /nfs/dbraw/zinc/26/42/98/211264298.db2.gz NOFPLPMPYOSRIW-FQEVSTJZSA-N 2 1 389.540 2.013 50 0 GEAAMP C[NH+](C[C@H](O)COc1cccc(C[N@@H+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519110 211264300 /nfs/dbraw/zinc/26/43/00/211264300.db2.gz NOFPLPMPYOSRIW-FQEVSTJZSA-N 2 1 389.540 2.013 50 0 GEAAMP C[NH+](C[C@H](O)COc1cccc(C[N@H+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519110 211264303 /nfs/dbraw/zinc/26/43/03/211264303.db2.gz NOFPLPMPYOSRIW-FQEVSTJZSA-N 2 1 389.540 2.013 50 0 GEAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+]3CCCC3(C)C)c2)CC1 ZINC000095528407 211272733 /nfs/dbraw/zinc/27/27/33/211272733.db2.gz XSCAVYHDARWPDW-FQEVSTJZSA-N 2 1 375.557 2.438 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+]3CCCC3(C)C)c2)CC1 ZINC000095528407 211272753 /nfs/dbraw/zinc/27/27/53/211272753.db2.gz XSCAVYHDARWPDW-FQEVSTJZSA-N 2 1 375.557 2.438 50 0 GEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+]3CCCC3(C)C)c2)CC1 ZINC000095528407 211272756 /nfs/dbraw/zinc/27/27/56/211272756.db2.gz XSCAVYHDARWPDW-FQEVSTJZSA-N 2 1 375.557 2.438 50 0 GEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3[nH]c4ccc(C)cc4c3C)C[C@@H]2CO)CC1 ZINC000095392202 211237859 /nfs/dbraw/zinc/23/78/59/211237859.db2.gz FFMOGGZDUVJHSW-WOJBJXKFSA-N 2 1 384.568 2.463 50 0 GEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2CO)CC1 ZINC000095361360 211223591 /nfs/dbraw/zinc/22/35/91/211223591.db2.gz ZILGAILLXVWFMC-QZTJIDSGSA-N 2 1 388.531 2.293 50 0 GEAAMP C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082137305 211161533 /nfs/dbraw/zinc/16/15/33/211161533.db2.gz XZJZGTGTCJKPIW-NRFANRHFSA-N 2 1 398.595 2.056 50 0 GEAAMP C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082137305 211161538 /nfs/dbraw/zinc/16/15/38/211161538.db2.gz XZJZGTGTCJKPIW-NRFANRHFSA-N 2 1 398.595 2.056 50 0 GEAAMP C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082137305 211161526 /nfs/dbraw/zinc/16/15/26/211161526.db2.gz XZJZGTGTCJKPIW-NRFANRHFSA-N 3 1 398.595 2.056 50 0 GEAAMP Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000072424588 211116055 /nfs/dbraw/zinc/11/60/55/211116055.db2.gz PAAGXZXNOZWRBF-UXHICEINSA-N 2 1 381.524 2.276 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072425771 211115719 /nfs/dbraw/zinc/11/57/19/211115719.db2.gz YSFGMARDRLQPHG-INIZCTEOSA-N 2 1 377.533 2.348 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1ccc(O)c(OC)c1)CC[NH+](C)CC2 ZINC000072418766 211115300 /nfs/dbraw/zinc/11/53/00/211115300.db2.gz WGVMBVFFRMGCMR-KRWDZBQOSA-N 2 1 375.513 2.213 50 0 GEAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O ZINC000072407150 211114075 /nfs/dbraw/zinc/11/40/75/211114075.db2.gz ZIFHUXTYZOKLCQ-FQEVSTJZSA-N 2 1 387.524 2.237 50 0 GEAAMP COCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072165441 211080231 /nfs/dbraw/zinc/08/02/31/211080231.db2.gz SMYSDUDWFKKNTE-FQEVSTJZSA-N 2 1 379.520 2.463 50 0 GEAAMP COCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072165441 211080233 /nfs/dbraw/zinc/08/02/33/211080233.db2.gz SMYSDUDWFKKNTE-FQEVSTJZSA-N 2 1 379.520 2.463 50 0 GEAAMP COCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072165441 211080238 /nfs/dbraw/zinc/08/02/38/211080238.db2.gz SMYSDUDWFKKNTE-FQEVSTJZSA-N 2 1 379.520 2.463 50 0 GEAAMP COCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072165441 211080241 /nfs/dbraw/zinc/08/02/41/211080241.db2.gz SMYSDUDWFKKNTE-FQEVSTJZSA-N 2 1 379.520 2.463 50 0 GEAAMP CC(C)(CO)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071755274 211059160 /nfs/dbraw/zinc/05/91/60/211059160.db2.gz RHLOONTWBXMITN-HXUWFJFHSA-N 2 1 387.568 2.293 50 0 GEAAMP CC(C)(CO)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071755274 211059163 /nfs/dbraw/zinc/05/91/63/211059163.db2.gz RHLOONTWBXMITN-HXUWFJFHSA-N 2 1 387.568 2.293 50 0 GEAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCN(c3ccccc3Cl)CC1)CC[NH2+]CC2 ZINC000072411917 136169667 /nfs/dbraw/zinc/16/96/67/136169667.db2.gz QTRDLABMPSPUKW-SFHVURJKSA-N 2 1 376.932 2.063 50 0 GEAAMP COc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104346683 570257447 /nfs/dbraw/zinc/25/74/47/570257447.db2.gz SJJMMJDLXGHYCY-OAQYLSRUSA-N 2 1 375.557 2.437 50 0 GEAAMP COc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104346683 570257451 /nfs/dbraw/zinc/25/74/51/570257451.db2.gz SJJMMJDLXGHYCY-OAQYLSRUSA-N 2 1 375.557 2.437 50 0 GEAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913396 570334135 /nfs/dbraw/zinc/33/41/35/570334135.db2.gz BYZZDKCBVXRMRP-QFIPXVFZSA-N 2 1 398.551 2.091 50 0 GEAAMP C[C@@H](O)CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023338983 570355442 /nfs/dbraw/zinc/35/54/42/570355442.db2.gz IWTVFLQTHLHBNQ-LJQANCHMSA-N 2 1 387.568 2.293 50 0 GEAAMP CCCNC(=O)[C@@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435769 /nfs/dbraw/zinc/43/57/69/570435769.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 2 1 394.604 2.241 50 0 GEAAMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435772 /nfs/dbraw/zinc/43/57/72/570435772.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 2 1 394.604 2.241 50 0 GEAAMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435776 /nfs/dbraw/zinc/43/57/76/570435776.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 2 1 394.604 2.241 50 0 GEAAMP Nc1nc(N2CCC[N@H+](CCCc3ccccc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000223118729 570444561 /nfs/dbraw/zinc/44/45/61/570444561.db2.gz XLKZBNOPKGKSNO-UHFFFAOYSA-N 2 1 381.524 2.442 50 0 GEAAMP Nc1nc(N2CCC[N@@H+](CCCc3ccccc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000223118729 570444563 /nfs/dbraw/zinc/44/45/63/570444563.db2.gz XLKZBNOPKGKSNO-UHFFFAOYSA-N 2 1 381.524 2.442 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cn(CC)nc1C)CC[NH+](C)CC2 ZINC000426628836 570503010 /nfs/dbraw/zinc/50/30/10/570503010.db2.gz UJOBOGXTPABBMP-LJQANCHMSA-N 2 1 375.561 2.366 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000011662412 570577388 /nfs/dbraw/zinc/57/73/88/570577388.db2.gz SHSIMDTUAJRITR-NRFANRHFSA-N 2 1 392.588 2.090 50 0 GEAAMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012076345 570605407 /nfs/dbraw/zinc/60/54/07/570605407.db2.gz ZMBNTWKEGCIGTE-HXUWFJFHSA-N 2 1 376.520 2.281 50 0 GEAAMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511645 570981675 /nfs/dbraw/zinc/98/16/75/570981675.db2.gz IZUIPSQIWPNMNJ-CEMLEFRQSA-N 2 1 398.595 2.181 50 0 GEAAMP C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511645 570981679 /nfs/dbraw/zinc/98/16/79/570981679.db2.gz IZUIPSQIWPNMNJ-CEMLEFRQSA-N 2 1 398.595 2.181 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@H](O)CN1CCC[NH+](C)CC1 ZINC000019228479 210233001 /nfs/dbraw/zinc/23/30/01/210233001.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(C[NH+](C)CC(C)C)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000019228479 210233006 /nfs/dbraw/zinc/23/30/06/210233006.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(C[NH+](C)CC(C)C)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000019228479 210233013 /nfs/dbraw/zinc/23/30/13/210233013.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@H](O)C[NH+]1CCCN(C)CC1 ZINC000019228479 210233017 /nfs/dbraw/zinc/23/30/17/210233017.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@H](O)C[NH+]1CCCN(C)CC1 ZINC000019228479 210233023 /nfs/dbraw/zinc/23/30/23/210233023.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(C[NH+](C)CC(C)C)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000019228479 210233026 /nfs/dbraw/zinc/23/30/26/210233026.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(C[NH+](C)CC(C)C)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000019228479 210233030 /nfs/dbraw/zinc/23/30/30/210233030.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 1 393.572 2.160 50 0 GEAAMP CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014976743 210138010 /nfs/dbraw/zinc/13/80/10/210138010.db2.gz HWSXTVRQJQLADZ-LJQANCHMSA-N 2 1 391.531 2.261 50 0 GEAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014976743 210138014 /nfs/dbraw/zinc/13/80/14/210138014.db2.gz HWSXTVRQJQLADZ-LJQANCHMSA-N 2 1 391.531 2.261 50 0 GEAAMP OCC[NH+]1CCN(Cc2ccc3c(c2)C[N@H+](C[C@H]2CC=CCC2)CCO3)CC1 ZINC000097696354 211371138 /nfs/dbraw/zinc/37/11/38/211371138.db2.gz FBRCVZGLSUESFD-FQEVSTJZSA-N 2 1 385.552 2.347 50 0 GEAAMP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000096130898 211304077 /nfs/dbraw/zinc/30/40/77/211304077.db2.gz NETMIJAKFMRJLR-IBGZPJMESA-N 2 1 375.488 2.129 50 0 GEAAMP COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095522479 211267810 /nfs/dbraw/zinc/26/78/10/211267810.db2.gz GVLJLHYJOJDSMY-FQEVSTJZSA-N 2 1 393.572 2.301 50 0 GEAAMP O[C@H](COc1ccc(C[NH+]2CCC(O)CC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000095516999 211265295 /nfs/dbraw/zinc/26/52/95/211265295.db2.gz KWPOQVTTWISEKF-QHCPKHFHSA-N 2 1 396.531 2.441 50 0 GEAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnon1 ZINC000095506659 211257733 /nfs/dbraw/zinc/25/77/33/211257733.db2.gz VHGARYLXQFOMRB-MRXNPFEDSA-N 2 1 389.475 2.125 50 0 GEAAMP COc1ccc2cc(C[N@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)ccc2c1 ZINC000095391801 211237817 /nfs/dbraw/zinc/23/78/17/211237817.db2.gz FHEMLFGGZGJOSP-FGZHOGPDSA-N 2 1 383.536 2.136 50 0 GEAAMP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000095357489 211223762 /nfs/dbraw/zinc/22/37/62/211223762.db2.gz YKZZZHWUJUOAKI-NRFANRHFSA-N 2 1 385.552 2.437 50 0 GEAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000095357489 211223767 /nfs/dbraw/zinc/22/37/67/211223767.db2.gz YKZZZHWUJUOAKI-NRFANRHFSA-N 2 1 385.552 2.437 50 0 GEAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(OC4CCCC4)cc3)C[C@@H]2CO)CC1 ZINC000095384769 211235042 /nfs/dbraw/zinc/23/50/42/211235042.db2.gz ARGXBDBDWHCTHP-NHCUHLMSSA-N 2 1 387.568 2.296 50 0 GEAAMP Cc1ccc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095366891 211227068 /nfs/dbraw/zinc/22/70/68/211227068.db2.gz DQISVSAEZLZYNP-MDNUFGMLSA-N 2 1 383.536 2.106 50 0 GEAAMP Cn1ccc2c1cccc2C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000091931832 211210068 /nfs/dbraw/zinc/21/00/68/211210068.db2.gz YKZOFWCWUWFBRP-IRLDBZIGSA-N 2 1 384.568 2.389 50 0 GEAAMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)c(C)c1 ZINC000091326901 211189507 /nfs/dbraw/zinc/18/95/07/211189507.db2.gz IHUKKNCIURHSQW-IRLDBZIGSA-N 2 1 375.557 2.214 50 0 GEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2 ZINC000020538752 210345990 /nfs/dbraw/zinc/34/59/90/210345990.db2.gz FSMJRABDWYHXMB-KRWDZBQOSA-N 2 1 375.561 2.174 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC ZINC000011840554 221131236 /nfs/dbraw/zinc/13/12/36/221131236.db2.gz XEPQEGRHLLYDKX-IBGZPJMESA-N 2 1 390.528 2.142 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC ZINC000011840554 221131241 /nfs/dbraw/zinc/13/12/41/221131241.db2.gz XEPQEGRHLLYDKX-IBGZPJMESA-N 2 1 390.528 2.142 50 0 GEAAMP Cc1cccc(-n2ccnc2CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)c1 ZINC000039358351 570589592 /nfs/dbraw/zinc/58/95/92/570589592.db2.gz HVVIIFAXRPFWJN-JOCHJYFZSA-N 2 1 397.567 2.144 50 0 GEAAMP Cc1cccc(-n2ccnc2CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)c1 ZINC000039358351 570589594 /nfs/dbraw/zinc/58/95/94/570589594.db2.gz HVVIIFAXRPFWJN-JOCHJYFZSA-N 2 1 397.567 2.144 50 0 GEAAMP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012302162 570636502 /nfs/dbraw/zinc/63/65/02/570636502.db2.gz ZOZDDRYTYJMNSI-HXUWFJFHSA-N 3 1 393.572 2.207 50 0 GEAAMP CN1CCC([N@@H+]2CCC[C@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431332 570659651 /nfs/dbraw/zinc/65/96/51/570659651.db2.gz YCLUZZSJZPWLPI-IBGZPJMESA-N 2 1 376.589 2.460 50 0 GEAAMP CN1CCC([N@H+]2CCC[C@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431332 570659654 /nfs/dbraw/zinc/65/96/54/570659654.db2.gz YCLUZZSJZPWLPI-IBGZPJMESA-N 2 1 376.589 2.460 50 0 GEAAMP CCn1cc(CC[NH+]2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)c2cccnc21 ZINC000065165010 570841749 /nfs/dbraw/zinc/84/17/49/570841749.db2.gz AGCJDKXWKZCHMR-UHFFFAOYSA-N 2 1 397.567 2.475 50 0 GEAAMP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426412461 231216876 /nfs/dbraw/zinc/21/68/76/231216876.db2.gz UEKKLWUZLKJBLW-FQEVSTJZSA-N 2 1 386.540 2.157 50 0 GEAAMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426412461 231216879 /nfs/dbraw/zinc/21/68/79/231216879.db2.gz UEKKLWUZLKJBLW-FQEVSTJZSA-N 2 1 386.540 2.157 50 0 GEAAMP CN(CCC[NH+]1CCCCC1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000011816115 209885409 /nfs/dbraw/zinc/88/54/09/209885409.db2.gz KUPDWFKTUBJFRZ-HXUWFJFHSA-N 2 1 392.588 2.092 50 0 GEAAMP Cc1nccn1CCC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000096163709 211313156 /nfs/dbraw/zinc/31/31/56/211313156.db2.gz AWDANACQHJBEDG-UHFFFAOYSA-N 2 1 382.516 2.143 50 0 GEAAMP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000095498344 211251544 /nfs/dbraw/zinc/25/15/44/211251544.db2.gz VJLIHHKLXGTCJX-NRFANRHFSA-N 2 1 399.514 2.149 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000095508846 211260040 /nfs/dbraw/zinc/26/00/40/211260040.db2.gz PVMNTEHMXGVDCH-IBGZPJMESA-N 2 1 393.572 2.303 50 0 GEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CO)CC1 ZINC000095368474 211227360 /nfs/dbraw/zinc/22/73/60/211227360.db2.gz AGBHJECUZSNNJN-RTBURBONSA-N 2 1 386.515 2.052 50 0 GEAAMP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009129 211040813 /nfs/dbraw/zinc/04/08/13/211040813.db2.gz LFALGAOBICEHMR-RTWAWAEBSA-N 2 1 388.556 2.157 50 0 GEAAMP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009129 211040817 /nfs/dbraw/zinc/04/08/17/211040817.db2.gz LFALGAOBICEHMR-RTWAWAEBSA-N 2 1 388.556 2.157 50 0 GEAAMP C[NH+]1CCC2(CC[N@@H+](C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)C2)CC1 ZINC000067775003 211021164 /nfs/dbraw/zinc/02/11/64/211021164.db2.gz YRZVSKNOJKSKDZ-QHCPKHFHSA-N 2 1 385.552 2.000 50 0 GEAAMP CCCC[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000020996393 210373250 /nfs/dbraw/zinc/37/32/50/210373250.db2.gz QHATXYQHAGMWQY-FQEVSTJZSA-N 2 1 393.572 2.304 50 0 GEAAMP COCC[NH+](C)C[C@@H]1C[N@@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091663109 136176776 /nfs/dbraw/zinc/17/67/76/136176776.db2.gz ZGCVXSVPFAWSMI-QZTJIDSGSA-N 2 1 395.975 2.427 50 0 GEAAMP COCC[N@H+](C)C[C@@H]1C[NH+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091663109 136176774 /nfs/dbraw/zinc/17/67/74/136176774.db2.gz ZGCVXSVPFAWSMI-QZTJIDSGSA-N 2 1 395.975 2.427 50 0 GEAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091663109 136176775 /nfs/dbraw/zinc/17/67/75/136176775.db2.gz ZGCVXSVPFAWSMI-QZTJIDSGSA-N 2 1 395.975 2.427 50 0 GEAAMP COCC[NH+](C)C[C@@H]1C[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091663109 136176777 /nfs/dbraw/zinc/17/67/77/136176777.db2.gz ZGCVXSVPFAWSMI-QZTJIDSGSA-N 2 1 395.975 2.427 50 0 GEAAMP Cc1cc(N2CCC(c3nnc(C[NH+]4CCCCCC4)n3C)CC2)nc(N)[nH+]1 ZINC000096167228 136184909 /nfs/dbraw/zinc/18/49/09/136184909.db2.gz QWLQDCOKKVXZDJ-UHFFFAOYSA-N 2 1 384.532 2.256 50 0 GEAAMP COc1cc(CN(C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011662748 570264967 /nfs/dbraw/zinc/26/49/67/570264967.db2.gz LIZLCRBPSHBOEU-SFHVURJKSA-N 2 1 376.501 2.130 50 0 GEAAMP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000219252343 570350432 /nfs/dbraw/zinc/35/04/32/570350432.db2.gz POOLIYDZVDYBSZ-UHFFFAOYSA-N 2 1 380.540 2.408 50 0 GEAAMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237739311 570392726 /nfs/dbraw/zinc/39/27/26/570392726.db2.gz UVOVOYTYEHWSLJ-KRWDZBQOSA-N 2 1 396.539 2.365 50 0 GEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)cc1 ZINC000244594124 570435817 /nfs/dbraw/zinc/43/58/17/570435817.db2.gz DGTQTZICCZYMCQ-MAEOIBBWSA-N 2 1 379.468 2.145 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000011662411 570577432 /nfs/dbraw/zinc/57/74/32/570577432.db2.gz SHSIMDTUAJRITR-OAQYLSRUSA-N 2 1 392.588 2.090 50 0 GEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@@H+](CC(C)C)C2)cn1 ZINC000014742850 210125206 /nfs/dbraw/zinc/12/52/06/210125206.db2.gz PJOXUWMLKBFZGN-VQTJNVASSA-N 2 1 390.572 2.431 50 0 GEAAMP Cc1cc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2c(C)n[nH]c2C)C[C@H]3CO)on1 ZINC000097784979 211374112 /nfs/dbraw/zinc/37/41/12/211374112.db2.gz MOYPDVPGMIPFJK-SFHVURJKSA-N 2 1 387.528 2.420 50 0 GEAAMP OCC[NH+]1CCN(Cc2ccc3c(c2)C[N@H+](C[C@@H]2CC=CCC2)CCO3)CC1 ZINC000097696355 211371229 /nfs/dbraw/zinc/37/12/29/211371229.db2.gz FBRCVZGLSUESFD-HXUWFJFHSA-N 2 1 385.552 2.347 50 0 GEAAMP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000096130899 211305168 /nfs/dbraw/zinc/30/51/68/211305168.db2.gz NETMIJAKFMRJLR-LJQANCHMSA-N 2 1 375.488 2.129 50 0 GEAAMP C[N@@H+](CCCO)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095524992 211269043 /nfs/dbraw/zinc/26/90/43/211269043.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095524992 211269049 /nfs/dbraw/zinc/26/90/49/211269049.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095524992 211269052 /nfs/dbraw/zinc/26/90/52/211269052.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[N@@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000095518752 211265521 /nfs/dbraw/zinc/26/55/21/211265521.db2.gz SPHYHGUDMPYWAA-HXUWFJFHSA-N 2 1 393.597 2.001 50 0 GEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+](C)C3CCSCC3)cc2)CC1 ZINC000095518752 211265536 /nfs/dbraw/zinc/26/55/36/211265536.db2.gz SPHYHGUDMPYWAA-HXUWFJFHSA-N 2 1 393.597 2.001 50 0 GEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)C3CCSCC3)cc2)CC1 ZINC000095518752 211265541 /nfs/dbraw/zinc/26/55/41/211265541.db2.gz SPHYHGUDMPYWAA-HXUWFJFHSA-N 2 1 393.597 2.001 50 0 GEAAMP C[N@@H+](CCC(N)=O)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095500014 211253191 /nfs/dbraw/zinc/25/31/91/211253191.db2.gz MDILXBMZTOZMED-GOSISDBHSA-N 2 1 397.947 2.263 50 0 GEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1nncn1C(C)C)C2 ZINC000095367952 211227312 /nfs/dbraw/zinc/22/73/12/211227312.db2.gz SQKRFLVFKOLQFM-SBHAEUEKSA-N 2 1 391.560 2.198 50 0 GEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1nncn1C(C)C)C2 ZINC000095367952 211227314 /nfs/dbraw/zinc/22/73/14/211227314.db2.gz SQKRFLVFKOLQFM-SBHAEUEKSA-N 2 1 391.560 2.198 50 0 GEAAMP Cc1nnc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000071768059 211059818 /nfs/dbraw/zinc/05/98/18/211059818.db2.gz UNTWYSZXYRIVTJ-IBGZPJMESA-N 2 1 396.539 2.106 50 0 GEAAMP Cc1nnc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000071768059 211059821 /nfs/dbraw/zinc/05/98/21/211059821.db2.gz UNTWYSZXYRIVTJ-IBGZPJMESA-N 2 1 396.539 2.106 50 0 GEAAMP CNc1cc(C)[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071751252 211056614 /nfs/dbraw/zinc/05/66/14/211056614.db2.gz XUDUKFIBENETRH-KRWDZBQOSA-N 2 1 386.544 2.130 50 0 GEAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[NH2+][C@H](c4ccccc4)C3)cnn2c1 ZINC000067884892 211026678 /nfs/dbraw/zinc/02/66/78/211026678.db2.gz ZBPAUWOFNIUQRX-FQEVSTJZSA-N 2 1 392.507 2.358 50 0 GEAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cnn2c1 ZINC000067756926 211021436 /nfs/dbraw/zinc/02/14/36/211021436.db2.gz MEHNKNVVYNWUHG-INIZCTEOSA-N 2 1 384.528 2.270 50 0 GEAAMP CC(C)([NH3+])c1cn(CC2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020541459 210345243 /nfs/dbraw/zinc/34/52/43/210345243.db2.gz KIPUDQYKHSVNNT-HXUWFJFHSA-N 2 1 382.556 2.458 50 0 GEAAMP CC(C)([NH3+])c1cn(CC2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020541459 210345248 /nfs/dbraw/zinc/34/52/48/210345248.db2.gz KIPUDQYKHSVNNT-HXUWFJFHSA-N 2 1 382.556 2.458 50 0 GEAAMP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104433272 570258701 /nfs/dbraw/zinc/25/87/01/570258701.db2.gz RRYRXNDYILJHPX-OAQYLSRUSA-N 2 1 375.557 2.437 50 0 GEAAMP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104433272 570258704 /nfs/dbraw/zinc/25/87/04/570258704.db2.gz RRYRXNDYILJHPX-OAQYLSRUSA-N 2 1 375.557 2.437 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ocnc1C ZINC000012303630 570637629 /nfs/dbraw/zinc/63/76/29/570637629.db2.gz ZWQJTGNZZOCIOQ-LJQANCHMSA-N 2 1 392.544 2.268 50 0 GEAAMP COc1cc(C[N@H+](C)Cc2cnccn2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012477411 570674195 /nfs/dbraw/zinc/67/41/95/570674195.db2.gz PKIZHVDQZZEMGD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012477411 570674197 /nfs/dbraw/zinc/67/41/97/570674197.db2.gz PKIZHVDQZZEMGD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012477411 570674199 /nfs/dbraw/zinc/67/41/99/570674199.db2.gz PKIZHVDQZZEMGD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012477411 570674202 /nfs/dbraw/zinc/67/42/02/570674202.db2.gz PKIZHVDQZZEMGD-LJQANCHMSA-N 2 1 388.512 2.197 50 0 GEAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OC(C)C ZINC000040720719 531661551 /nfs/dbraw/zinc/66/15/51/531661551.db2.gz FMZUEQGAMZRNTA-UHFFFAOYSA-N 2 1 375.307 2.307 50 0 GEAAMP COCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000011818478 221128523 /nfs/dbraw/zinc/12/85/23/221128523.db2.gz NSQREBKTUCJKGB-LJQANCHMSA-N 2 1 391.556 2.334 50 0 GEAAMP O[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)CC[C@H]1N1CCOCC1 ZINC000012744926 221223493 /nfs/dbraw/zinc/22/34/93/221223493.db2.gz DKLZRGVCKFWQCA-WOJBJXKFSA-N 2 1 379.570 2.001 50 0 GEAAMP COc1cc(C[N@@H+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015068239 221329491 /nfs/dbraw/zinc/32/94/91/221329491.db2.gz BABKZIKJZHOMGZ-LJQANCHMSA-N 2 1 390.528 2.173 50 0 GEAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015068239 221329494 /nfs/dbraw/zinc/32/94/94/221329494.db2.gz BABKZIKJZHOMGZ-LJQANCHMSA-N 2 1 390.528 2.173 50 0 GEAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015068239 221329497 /nfs/dbraw/zinc/32/94/97/221329497.db2.gz BABKZIKJZHOMGZ-LJQANCHMSA-N 2 1 390.528 2.173 50 0 GEAAMP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000072168794 136167458 /nfs/dbraw/zinc/16/74/58/136167458.db2.gz WPJGFYPXROMPDG-QGZVFWFLSA-N 2 1 396.457 2.310 50 0 GEAAMP CCCc1cc(N2CCC([NH2+]CCSc3nncn3C)CC2)nc(C)[nH+]1 ZINC000095524089 136181401 /nfs/dbraw/zinc/18/14/01/136181401.db2.gz IEOFBGLEKNNYTE-UHFFFAOYSA-N 2 1 375.546 2.217 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348591 222059610 /nfs/dbraw/zinc/05/96/10/222059610.db2.gz AWMYCHKPJWXFCV-INIZCTEOSA-N 2 1 375.485 2.001 50 0 GEAAMP O=C(NCCCCO)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071748862 222189255 /nfs/dbraw/zinc/18/92/55/222189255.db2.gz VLFZDBBKULFZQJ-OAQYLSRUSA-N 2 1 399.579 2.219 50 0 GEAAMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009131 222175987 /nfs/dbraw/zinc/17/59/87/222175987.db2.gz LFALGAOBICEHMR-NHCUHLMSSA-N 2 1 388.556 2.157 50 0 GEAAMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009131 222175990 /nfs/dbraw/zinc/17/59/90/222175990.db2.gz LFALGAOBICEHMR-NHCUHLMSSA-N 2 1 388.556 2.157 50 0 GEAAMP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000071765391 222195851 /nfs/dbraw/zinc/19/58/51/222195851.db2.gz HLKQAEUNWBMNKN-OAQYLSRUSA-N 2 1 398.595 2.355 50 0 GEAAMP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000071765391 222195854 /nfs/dbraw/zinc/19/58/54/222195854.db2.gz HLKQAEUNWBMNKN-OAQYLSRUSA-N 3 1 398.595 2.355 50 0 GEAAMP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000071765391 222195857 /nfs/dbraw/zinc/19/58/57/222195857.db2.gz HLKQAEUNWBMNKN-OAQYLSRUSA-N 3 1 398.595 2.355 50 0 GEAAMP C[N@@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000095518751 222345150 /nfs/dbraw/zinc/34/51/50/222345150.db2.gz SPHYHGUDMPYWAA-FQEVSTJZSA-N 2 1 393.597 2.001 50 0 GEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+](C)C3CCSCC3)cc2)CC1 ZINC000095518751 222345156 /nfs/dbraw/zinc/34/51/56/222345156.db2.gz SPHYHGUDMPYWAA-FQEVSTJZSA-N 2 1 393.597 2.001 50 0 GEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+](C)C3CCSCC3)cc2)CC1 ZINC000095518751 222345158 /nfs/dbraw/zinc/34/51/58/222345158.db2.gz SPHYHGUDMPYWAA-FQEVSTJZSA-N 2 1 393.597 2.001 50 0 GEAAMP COc1ccc(C[N@H+]2CCCC2(C)C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095498751 222331364 /nfs/dbraw/zinc/33/13/64/222331364.db2.gz JPCYGAMKHRYOSA-IBGZPJMESA-N 2 1 391.556 2.057 50 0 GEAAMP COc1ccc(C[N@@H+]2CCCC2(C)C)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095498751 222331374 /nfs/dbraw/zinc/33/13/74/222331374.db2.gz JPCYGAMKHRYOSA-IBGZPJMESA-N 2 1 391.556 2.057 50 0 GEAAMP COc1ccc(C[N@H+]2CCCC2(C)C)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095498751 222331379 /nfs/dbraw/zinc/33/13/79/222331379.db2.gz JPCYGAMKHRYOSA-IBGZPJMESA-N 2 1 391.556 2.057 50 0 GEAAMP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000095498345 222332417 /nfs/dbraw/zinc/33/24/17/222332417.db2.gz VJLIHHKLXGTCJX-OAQYLSRUSA-N 2 1 399.514 2.149 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC(C)(C)C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095499475 222334827 /nfs/dbraw/zinc/33/48/27/222334827.db2.gz JVOIGOKLEWRWBA-LJQANCHMSA-N 2 1 393.572 2.160 50 0 GEAAMP COc1ccc(CN2CCC([NH+](C)C)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095505403 222338510 /nfs/dbraw/zinc/33/85/10/222338510.db2.gz KHJCGRNWERDOFC-FQEVSTJZSA-N 2 1 393.572 2.301 50 0 GEAAMP CCNC(=O)C[NH+]1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077504749 222284815 /nfs/dbraw/zinc/28/48/15/222284815.db2.gz KJCWBWBUJPCGCN-UHFFFAOYSA-N 2 1 394.560 2.064 50 0 GEAAMP CCNC(=O)C[NH+]1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077504749 222284818 /nfs/dbraw/zinc/28/48/18/222284818.db2.gz KJCWBWBUJPCGCN-UHFFFAOYSA-N 2 1 394.560 2.064 50 0 GEAAMP O=C(N[C@H]1CC[NH2+]C1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082087098 222308807 /nfs/dbraw/zinc/30/88/07/222308807.db2.gz TZJCZVFFMQHNEJ-QFIPXVFZSA-N 2 1 398.595 2.274 50 0 GEAAMP COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095521917 222346476 /nfs/dbraw/zinc/34/64/76/222346476.db2.gz RSCMYVZQMABVMQ-LJQANCHMSA-N 2 1 392.540 2.266 50 0 GEAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1c[nH]cn1 ZINC000095530518 222352622 /nfs/dbraw/zinc/35/26/22/222352622.db2.gz QUVPROYLDXPCPW-QGZVFWFLSA-N 2 1 387.503 2.465 50 0 GEAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnc[nH]1 ZINC000095530518 222352624 /nfs/dbraw/zinc/35/26/24/222352624.db2.gz QUVPROYLDXPCPW-QGZVFWFLSA-N 2 1 387.503 2.465 50 0 GEAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnc[nH]1 ZINC000095530518 222352629 /nfs/dbraw/zinc/35/26/29/222352629.db2.gz QUVPROYLDXPCPW-QGZVFWFLSA-N 2 1 387.503 2.465 50 0 GEAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000096153776 222391643 /nfs/dbraw/zinc/39/16/43/222391643.db2.gz WQLVDAHVBQAUMD-NRFANRHFSA-N 2 1 385.552 2.437 50 0 GEAAMP O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426517600 534340349 /nfs/dbraw/zinc/34/03/49/534340349.db2.gz PUQONECGMJJEBF-HXUWFJFHSA-N 2 1 379.508 2.403 50 0 GEAAMP CC[NH+]1CCN(C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)CC1 ZINC000019889815 570227964 /nfs/dbraw/zinc/22/79/64/570227964.db2.gz QVBKYYULQTYQHG-UHFFFAOYSA-N 2 1 377.529 2.314 50 0 GEAAMP COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C)ccc1OC1CC[NH+](C)CC1 ZINC000020137161 570241980 /nfs/dbraw/zinc/24/19/80/570241980.db2.gz CIJVRDZRXLNYET-QGZVFWFLSA-N 2 1 375.513 2.382 50 0 GEAAMP CCCn1ncc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000020451420 570257448 /nfs/dbraw/zinc/25/74/48/570257448.db2.gz NSSOIMLYDGEQAG-QFIPXVFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CCCn1ncc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000020451420 570257452 /nfs/dbraw/zinc/25/74/52/570257452.db2.gz NSSOIMLYDGEQAG-QFIPXVFZSA-N 2 1 391.604 2.343 50 0 GEAAMP COc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104531117 570260207 /nfs/dbraw/zinc/26/02/07/570260207.db2.gz BUTWFZBOJIXXRE-OAQYLSRUSA-N 2 1 375.557 2.437 50 0 GEAAMP COc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104531117 570260209 /nfs/dbraw/zinc/26/02/09/570260209.db2.gz BUTWFZBOJIXXRE-OAQYLSRUSA-N 2 1 375.557 2.437 50 0 GEAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4ccon4)CC3)cc2)CC1 ZINC000299766867 570893316 /nfs/dbraw/zinc/89/33/16/570893316.db2.gz TXDZUUZUEMVDKO-UHFFFAOYSA-N 2 1 397.523 2.211 50 0 GEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091644756 571021427 /nfs/dbraw/zinc/02/14/27/571021427.db2.gz SARYMJXREYMZQX-QZTJIDSGSA-N 2 1 385.474 2.383 50 0 GEAAMP CCOCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091747067 571029400 /nfs/dbraw/zinc/02/94/00/571029400.db2.gz JLVYDEQHIJXOIT-OAQYLSRUSA-N 2 1 399.579 2.483 50 0 GEAAMP O=C1CCC2(CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)CN1CCO ZINC000092045907 571042545 /nfs/dbraw/zinc/04/25/45/571042545.db2.gz DQCWTPHZHVHYOJ-UHFFFAOYSA-N 2 1 385.552 2.348 50 0 GEAAMP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](C3CSCCSC3)CC2)CC1 ZINC000012586131 642372968 /nfs/dbraw/zinc/37/29/68/642372968.db2.gz XIMQJXBZSWDMKB-UHFFFAOYSA-N 2 1 383.627 2.290 50 0 GEAAMP COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000108272702 231020396 /nfs/dbraw/zinc/02/03/96/231020396.db2.gz GRMYNGSXYFMCEN-IBGZPJMESA-N 2 1 391.556 2.057 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccncc1 ZINC000012443225 221194858 /nfs/dbraw/zinc/19/48/58/221194858.db2.gz BWVMITIJLJSWDX-OAQYLSRUSA-N 2 1 388.556 2.367 50 0 GEAAMP CCOc1ccc(C[N@@H+]2CCN(c3cc(C)[nH+]c(NC)n3)C[C@H]2CCO)cc1 ZINC000106980530 136197054 /nfs/dbraw/zinc/19/70/54/136197054.db2.gz NNTHBAUFWLKRCO-GOSISDBHSA-N 2 1 385.512 2.299 50 0 GEAAMP CCOc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(NC)n3)C[C@H]2CCO)cc1 ZINC000106980530 136197055 /nfs/dbraw/zinc/19/70/55/136197055.db2.gz NNTHBAUFWLKRCO-GOSISDBHSA-N 2 1 385.512 2.299 50 0 GEAAMP CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000058341129 222048574 /nfs/dbraw/zinc/04/85/74/222048574.db2.gz CMBQOSYMQDIVBV-KRWDZBQOSA-N 2 1 383.558 2.122 50 0 GEAAMP O=C(NCCCCO)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071748861 222189937 /nfs/dbraw/zinc/18/99/37/222189937.db2.gz VLFZDBBKULFZQJ-NRFANRHFSA-N 2 1 399.579 2.219 50 0 GEAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000067434888 222146292 /nfs/dbraw/zinc/14/62/92/222146292.db2.gz KKQOPGGOQBTVCH-FQEVSTJZSA-N 2 1 385.552 2.093 50 0 GEAAMP COCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071752857 222192395 /nfs/dbraw/zinc/19/23/95/222192395.db2.gz ZNHZVQCGWXVKKP-OAQYLSRUSA-N 2 1 399.579 2.435 50 0 GEAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071754544 222192798 /nfs/dbraw/zinc/19/27/98/222192798.db2.gz PVIVCXHNCGFNNU-NRFANRHFSA-N 2 1 399.579 2.389 50 0 GEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071754544 222192801 /nfs/dbraw/zinc/19/28/01/222192801.db2.gz PVIVCXHNCGFNNU-NRFANRHFSA-N 2 1 399.579 2.389 50 0 GEAAMP COc1cc2[nH]c(=O)c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c(OC)c1OC ZINC000072159455 222215248 /nfs/dbraw/zinc/21/52/48/222215248.db2.gz NCGDTQREBPAYTM-OAHLLOKOSA-N 2 1 389.496 2.470 50 0 GEAAMP COc1cc2[nH]c(=O)c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c(OC)c1OC ZINC000072159455 222215251 /nfs/dbraw/zinc/21/52/51/222215251.db2.gz NCGDTQREBPAYTM-OAHLLOKOSA-N 2 1 389.496 2.470 50 0 GEAAMP Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)n2)c1 ZINC000072480500 222267447 /nfs/dbraw/zinc/26/74/47/222267447.db2.gz OLOPYPDIADWBPF-QGZVFWFLSA-N 2 1 383.496 2.077 50 0 GEAAMP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000095506281 222339694 /nfs/dbraw/zinc/33/96/94/222339694.db2.gz PLEHJRKJWUEOGY-GOSISDBHSA-N 2 1 378.513 2.142 50 0 GEAAMP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000095506281 222339697 /nfs/dbraw/zinc/33/96/97/222339697.db2.gz PLEHJRKJWUEOGY-GOSISDBHSA-N 2 1 378.513 2.142 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082083662 222307446 /nfs/dbraw/zinc/30/74/46/222307446.db2.gz OHFCVGSSPWMTNG-OAQYLSRUSA-N 3 1 398.595 2.008 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082083662 222307449 /nfs/dbraw/zinc/30/74/49/222307449.db2.gz OHFCVGSSPWMTNG-OAQYLSRUSA-N 2 1 398.595 2.008 50 0 GEAAMP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082083662 222307453 /nfs/dbraw/zinc/30/74/53/222307453.db2.gz OHFCVGSSPWMTNG-OAQYLSRUSA-N 2 1 398.595 2.008 50 0 GEAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+]2CCCC2(C)C)c1 ZINC000095520491 222346884 /nfs/dbraw/zinc/34/68/84/222346884.db2.gz FWOQTRAAWDIXRH-LJQANCHMSA-N 2 1 392.540 2.266 50 0 GEAAMP COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095520194 222346987 /nfs/dbraw/zinc/34/69/87/222346987.db2.gz OKGJBOIJBOWGHB-LJQANCHMSA-N 2 1 378.513 2.142 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000095525413 222349312 /nfs/dbraw/zinc/34/93/12/222349312.db2.gz GUTNCOVXTNYDGY-IBGZPJMESA-N 2 1 393.572 2.303 50 0 GEAAMP COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095521918 222345765 /nfs/dbraw/zinc/34/57/65/222345765.db2.gz RSCMYVZQMABVMQ-IBGZPJMESA-N 2 1 392.540 2.266 50 0 GEAAMP COc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000020209505 570248013 /nfs/dbraw/zinc/24/80/13/570248013.db2.gz SJJMMJDLXGHYCY-NRFANRHFSA-N 2 1 375.557 2.437 50 0 GEAAMP COc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000020209505 570248016 /nfs/dbraw/zinc/24/80/16/570248016.db2.gz SJJMMJDLXGHYCY-NRFANRHFSA-N 2 1 375.557 2.437 50 0 GEAAMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000020207632 570248266 /nfs/dbraw/zinc/24/82/66/570248266.db2.gz ROCBZLRBFNWGNY-LJQANCHMSA-N 2 1 386.540 2.411 50 0 GEAAMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000020207632 570248267 /nfs/dbraw/zinc/24/82/67/570248267.db2.gz ROCBZLRBFNWGNY-LJQANCHMSA-N 2 1 386.540 2.411 50 0 GEAAMP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668387 570293131 /nfs/dbraw/zinc/29/31/31/570293131.db2.gz AQTSFCGQHNVOQB-UHFFFAOYSA-N 2 1 384.499 2.439 50 0 GEAAMP C[N@H+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@@]12CCNC(=O)CC2 ZINC000107413721 570309389 /nfs/dbraw/zinc/30/93/89/570309389.db2.gz ZVDZWOVHMRWIGZ-HXUWFJFHSA-N 2 1 376.570 2.130 50 0 GEAAMP Cn1cc(CC[N@@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000023340108 570355803 /nfs/dbraw/zinc/35/58/03/570355803.db2.gz VDLSSCXHKMPMFT-OAQYLSRUSA-N 2 1 386.540 2.320 50 0 GEAAMP CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1ccccc1Cl ZINC000023373905 570357697 /nfs/dbraw/zinc/35/76/97/570357697.db2.gz RXDYICMWJMTYPE-QUCCMNQESA-N 2 1 392.975 2.491 50 0 GEAAMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc2c(c1)OCO2 ZINC000004299493 570366207 /nfs/dbraw/zinc/36/62/07/570366207.db2.gz UAAFEWNHVDVMFZ-LJQANCHMSA-N 2 1 384.476 2.409 50 0 GEAAMP Cc1c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237705236 570390757 /nfs/dbraw/zinc/39/07/57/570390757.db2.gz JGJFTMKCZQTHEC-KRWDZBQOSA-N 2 1 396.539 2.248 50 0 GEAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000244882770 570433949 /nfs/dbraw/zinc/43/39/49/570433949.db2.gz XYSOSYIQGOZRKL-PCCBWWKXSA-N 2 1 399.583 2.144 50 0 GEAAMP CCn1nc(C)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039490119 570592688 /nfs/dbraw/zinc/59/26/88/570592688.db2.gz MWMDJQGPUQYWQY-OAQYLSRUSA-N 2 1 391.604 2.261 50 0 GEAAMP CCn1nc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039490119 570592691 /nfs/dbraw/zinc/59/26/91/570592691.db2.gz MWMDJQGPUQYWQY-OAQYLSRUSA-N 2 1 391.604 2.261 50 0 GEAAMP Cn1c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cc2ccccc21 ZINC000091435054 571007513 /nfs/dbraw/zinc/00/75/13/571007513.db2.gz UYIOEDUSYLYSGT-OFNKIYASSA-N 2 1 384.568 2.389 50 0 GEAAMP C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000095357488 571052852 /nfs/dbraw/zinc/05/28/52/571052852.db2.gz YKZZZHWUJUOAKI-OAQYLSRUSA-N 2 1 385.552 2.437 50 0 GEAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000095357488 571052855 /nfs/dbraw/zinc/05/28/55/571052855.db2.gz YKZZZHWUJUOAKI-OAQYLSRUSA-N 2 1 385.552 2.437 50 0 GEAAMP COC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000007985778 221019486 /nfs/dbraw/zinc/01/94/86/221019486.db2.gz CGMVLWNDQYUQIC-OAQYLSRUSA-N 2 1 398.503 2.467 50 0 GEAAMP COc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000011720720 221122459 /nfs/dbraw/zinc/12/24/59/221122459.db2.gz YYQBBFQXFHGVKQ-KRWDZBQOSA-N 2 1 375.513 2.126 50 0 GEAAMP COc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000011720720 221122464 /nfs/dbraw/zinc/12/24/64/221122464.db2.gz YYQBBFQXFHGVKQ-KRWDZBQOSA-N 2 1 375.513 2.126 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC ZINC000012459391 221198192 /nfs/dbraw/zinc/19/81/92/221198192.db2.gz MWPJAUCGYFEYIB-LJQANCHMSA-N 2 1 380.529 2.388 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+](C)CCc2cn[nH]c2)cc1OC ZINC000012385343 221188184 /nfs/dbraw/zinc/18/81/84/221188184.db2.gz KJHOSICZQKECAZ-IBGZPJMESA-N 2 1 390.528 2.174 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccnc1 ZINC000015068747 221329703 /nfs/dbraw/zinc/32/97/03/221329703.db2.gz WYHBRHDRGGMNJS-NRFANRHFSA-N 2 1 388.556 2.367 50 0 GEAAMP O=C([C@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1)N1CCCC1 ZINC000071759956 136166194 /nfs/dbraw/zinc/16/61/94/136166194.db2.gz JWYYMVBEWRECQL-INIZCTEOSA-N 2 1 382.512 2.261 50 0 GEAAMP O=C([C@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1)N1CCCC1 ZINC000071759956 136166195 /nfs/dbraw/zinc/16/61/95/136166195.db2.gz JWYYMVBEWRECQL-INIZCTEOSA-N 2 1 382.512 2.261 50 0 GEAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071748829 222190325 /nfs/dbraw/zinc/19/03/25/222190325.db2.gz KYUUZXVOMZPCTI-MRXNPFEDSA-N 2 1 386.544 2.256 50 0 GEAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071748829 222190329 /nfs/dbraw/zinc/19/03/29/222190329.db2.gz KYUUZXVOMZPCTI-MRXNPFEDSA-N 2 1 386.544 2.256 50 0 GEAAMP COc1cc(OC)c(C[N@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000067786927 222159423 /nfs/dbraw/zinc/15/94/23/222159423.db2.gz MORICTOIIATSDC-UHFFFAOYSA-N 2 1 377.529 2.314 50 0 GEAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071614790 222186345 /nfs/dbraw/zinc/18/63/45/222186345.db2.gz YBBCNCOREDLQGE-HXUWFJFHSA-N 2 1 385.552 2.346 50 0 GEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCC(O)CC1 ZINC000071614790 222186346 /nfs/dbraw/zinc/18/63/46/222186346.db2.gz YBBCNCOREDLQGE-HXUWFJFHSA-N 2 1 385.552 2.346 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071753933 222192678 /nfs/dbraw/zinc/19/26/78/222192678.db2.gz MXTXUZPKGKTFFB-OAQYLSRUSA-N 3 1 398.595 2.008 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071753933 222192682 /nfs/dbraw/zinc/19/26/82/222192682.db2.gz MXTXUZPKGKTFFB-OAQYLSRUSA-N 2 1 398.595 2.008 50 0 GEAAMP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071753933 222192687 /nfs/dbraw/zinc/19/26/87/222192687.db2.gz MXTXUZPKGKTFFB-OAQYLSRUSA-N 2 1 398.595 2.008 50 0 GEAAMP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121062 222207224 /nfs/dbraw/zinc/20/72/24/222207224.db2.gz FXHYVOAUFVBZDA-HNNXBMFYSA-N 2 1 375.542 2.367 50 0 GEAAMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121062 222207227 /nfs/dbraw/zinc/20/72/27/222207227.db2.gz FXHYVOAUFVBZDA-HNNXBMFYSA-N 2 1 375.542 2.367 50 0 GEAAMP CCn1cc(C[N@H+]2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)cn1 ZINC000072157457 222212998 /nfs/dbraw/zinc/21/29/98/222212998.db2.gz FOAZXVZZCLEFTO-NJYVYQBISA-N 2 1 376.545 2.242 50 0 GEAAMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)Cc2ccccc2C1 ZINC000072295404 222220163 /nfs/dbraw/zinc/22/01/63/222220163.db2.gz QPOGCSUOZGXSMX-QFIPXVFZSA-N 2 1 393.531 2.103 50 0 GEAAMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)Cc2ccccc2C1 ZINC000072295404 222220167 /nfs/dbraw/zinc/22/01/67/222220167.db2.gz QPOGCSUOZGXSMX-QFIPXVFZSA-N 2 1 393.531 2.103 50 0 GEAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072422902 222257076 /nfs/dbraw/zinc/25/70/76/222257076.db2.gz BRTXRDPAWHSFGB-NRFANRHFSA-N 3 1 384.568 2.315 50 0 GEAAMP CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072430557 222258842 /nfs/dbraw/zinc/25/88/42/222258842.db2.gz OWWCEDUZNHZAPO-IBGZPJMESA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072430557 222258845 /nfs/dbraw/zinc/25/88/45/222258845.db2.gz OWWCEDUZNHZAPO-IBGZPJMESA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072430557 222258850 /nfs/dbraw/zinc/25/88/50/222258850.db2.gz OWWCEDUZNHZAPO-IBGZPJMESA-N 2 1 383.540 2.336 50 0 GEAAMP Cc1[nH+]ccn1CCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072474346 222265387 /nfs/dbraw/zinc/26/53/87/222265387.db2.gz DWPAAZYJFCUJBB-KSEOMHKRSA-N 2 1 380.492 2.376 50 0 GEAAMP COc1ccc(C[N@@H+](C)C2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095497077 222332777 /nfs/dbraw/zinc/33/27/77/222332777.db2.gz JRXGWNKBAJYAPS-IBGZPJMESA-N 2 1 378.513 2.142 50 0 GEAAMP C[N@@H+](CCCO)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095515322 222344282 /nfs/dbraw/zinc/34/42/82/222344282.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095515322 222344286 /nfs/dbraw/zinc/34/42/86/222344286.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095515322 222344290 /nfs/dbraw/zinc/34/42/90/222344290.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[N@@H+](CCCO)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095515321 222344714 /nfs/dbraw/zinc/34/47/14/222344714.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095515321 222344716 /nfs/dbraw/zinc/34/47/16/222344716.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095515321 222344718 /nfs/dbraw/zinc/34/47/18/222344718.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 2 1 384.520 2.299 50 0 GEAAMP [NH3+]CCc1cccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)c1 ZINC000095521980 222347286 /nfs/dbraw/zinc/34/72/86/222347286.db2.gz SEHWCCKCSYINMR-UHFFFAOYSA-N 2 1 393.535 2.197 50 0 GEAAMP COc1cc(C[N@@H+](C)CC2CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095528064 222350683 /nfs/dbraw/zinc/35/06/83/222350683.db2.gz RQUOBWFGUBUMIM-SFHVURJKSA-N 2 1 380.554 2.326 50 0 GEAAMP CNC(=O)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095528560 222352434 /nfs/dbraw/zinc/35/24/34/222352434.db2.gz IWJGVTLJRWFRJS-QFIPXVFZSA-N 2 1 385.552 2.093 50 0 GEAAMP C[NH+]1CCN(c2ncc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741316 536426282 /nfs/dbraw/zinc/42/62/82/536426282.db2.gz GLVGMUZDJZUBBU-JOCHJYFZSA-N 2 1 395.551 2.490 50 0 GEAAMP C[NH+]1CCN(c2ncc(C[N@@H+](CCCO)[C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741316 536426284 /nfs/dbraw/zinc/42/62/84/536426284.db2.gz GLVGMUZDJZUBBU-JOCHJYFZSA-N 2 1 395.551 2.490 50 0 GEAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1cscn1)C[C@H]2CO ZINC000097155778 570237856 /nfs/dbraw/zinc/23/78/56/570237856.db2.gz UDQQTKZMKRAQME-SFHVURJKSA-N 2 1 389.569 2.282 50 0 GEAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)CC[N@@H+](Cc1cscn1)C[C@H]2CO ZINC000097155778 570237858 /nfs/dbraw/zinc/23/78/58/570237858.db2.gz UDQQTKZMKRAQME-SFHVURJKSA-N 2 1 389.569 2.282 50 0 GEAAMP CCC[NH+]1CCC(N2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)CC1 ZINC000020513798 570265047 /nfs/dbraw/zinc/26/50/47/570265047.db2.gz KOZKVQWLRLATRL-NRFANRHFSA-N 2 1 375.557 2.438 50 0 GEAAMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)CC1 ZINC000020513798 570265048 /nfs/dbraw/zinc/26/50/48/570265048.db2.gz KOZKVQWLRLATRL-NRFANRHFSA-N 2 1 375.557 2.438 50 0 GEAAMP Cn1cc(CC[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000023340106 570355829 /nfs/dbraw/zinc/35/58/29/570355829.db2.gz VDLSSCXHKMPMFT-NRFANRHFSA-N 2 1 386.540 2.320 50 0 GEAAMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCCCCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000072309064 570530334 /nfs/dbraw/zinc/53/03/34/570530334.db2.gz MLELBJXKVZSNIX-BGYRXZFFSA-N 2 1 394.604 2.432 50 0 GEAAMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCCCCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000072309064 570530338 /nfs/dbraw/zinc/53/03/38/570530338.db2.gz MLELBJXKVZSNIX-BGYRXZFFSA-N 2 1 394.604 2.432 50 0 GEAAMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCCCCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000072309064 570530342 /nfs/dbraw/zinc/53/03/42/570530342.db2.gz MLELBJXKVZSNIX-BGYRXZFFSA-N 2 1 394.604 2.432 50 0 GEAAMP CCC[NH+]1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256243 570755276 /nfs/dbraw/zinc/75/52/76/570755276.db2.gz BUUPRQQXMZGHAA-NRFANRHFSA-N 2 1 393.535 2.400 50 0 GEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000426423109 231219018 /nfs/dbraw/zinc/21/90/18/231219018.db2.gz SQBBTSPOKUGAKJ-GOSISDBHSA-N 2 1 378.480 2.161 50 0 GEAAMP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000426674168 231252128 /nfs/dbraw/zinc/25/21/28/231252128.db2.gz JLQINBKSHJLELY-UHFFFAOYSA-N 2 1 386.540 2.007 50 0 GEAAMP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000426674168 231252132 /nfs/dbraw/zinc/25/21/32/231252132.db2.gz JLQINBKSHJLELY-UHFFFAOYSA-N 2 1 386.540 2.007 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC ZINC000011840552 221131312 /nfs/dbraw/zinc/13/13/12/221131312.db2.gz XEPQEGRHLLYDKX-LJQANCHMSA-N 2 1 390.528 2.142 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC ZINC000011840552 221131316 /nfs/dbraw/zinc/13/13/16/221131316.db2.gz XEPQEGRHLLYDKX-LJQANCHMSA-N 2 1 390.528 2.142 50 0 GEAAMP Cc1sc2nc(CC[NH3+])nc(N3CC[N@@H+](CC4CC4)[C@@H](CCO)C3)c2c1C ZINC000106257168 136191621 /nfs/dbraw/zinc/19/16/21/136191621.db2.gz XHQWUSYEUBULQC-INIZCTEOSA-N 2 1 389.569 2.092 50 0 GEAAMP COc1ccc(CN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c2cccnc12 ZINC000072412340 222256923 /nfs/dbraw/zinc/25/69/23/222256923.db2.gz PVNSIYIFDMUIDB-SFHVURJKSA-N 2 1 382.508 2.276 50 0 GEAAMP CC[N@@H+](CCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095503681 222335488 /nfs/dbraw/zinc/33/54/88/222335488.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095503681 222335491 /nfs/dbraw/zinc/33/54/91/222335491.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP CC[NH+](CCO)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095503681 222335495 /nfs/dbraw/zinc/33/54/95/222335495.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP COc1cc(C[N@H+](C)Cc2c[nH]nc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095512966 222341566 /nfs/dbraw/zinc/34/15/66/222341566.db2.gz JOCSGUINKUENMU-LJQANCHMSA-N 2 1 388.512 2.194 50 0 GEAAMP COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095512966 222341569 /nfs/dbraw/zinc/34/15/69/222341569.db2.gz JOCSGUINKUENMU-LJQANCHMSA-N 2 1 388.512 2.194 50 0 GEAAMP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000095524906 222348231 /nfs/dbraw/zinc/34/82/31/222348231.db2.gz HAMCQAZCOHQKRK-NRFANRHFSA-N 2 1 383.540 2.439 50 0 GEAAMP C[N@@H+](CCCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095524993 222348470 /nfs/dbraw/zinc/34/84/70/222348470.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095524993 222348472 /nfs/dbraw/zinc/34/84/72/222348472.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[NH+](CCCO)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095524993 222348477 /nfs/dbraw/zinc/34/84/77/222348477.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 2 1 384.520 2.299 50 0 GEAAMP C[N@@H+](C[C@H](O)COc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000019837582 570224334 /nfs/dbraw/zinc/22/43/34/570224334.db2.gz HGFXYGRQTXSQEV-NRFANRHFSA-N 2 1 375.557 2.438 50 0 GEAAMP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000019837582 570224338 /nfs/dbraw/zinc/22/43/38/570224338.db2.gz HGFXYGRQTXSQEV-NRFANRHFSA-N 2 1 375.557 2.438 50 0 GEAAMP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000019837582 570224339 /nfs/dbraw/zinc/22/43/39/570224339.db2.gz HGFXYGRQTXSQEV-NRFANRHFSA-N 2 1 375.557 2.438 50 0 GEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1 ZINC000020783316 570280224 /nfs/dbraw/zinc/28/02/24/570280224.db2.gz KCPBURQAZAZMAC-QFIPXVFZSA-N 2 1 383.536 2.006 50 0 GEAAMP CCCn1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)n1 ZINC000023130694 570345761 /nfs/dbraw/zinc/34/57/61/570345761.db2.gz SSJZAIJQECWXAP-QFIPXVFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CCCn1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)n1 ZINC000023130694 570345762 /nfs/dbraw/zinc/34/57/62/570345762.db2.gz SSJZAIJQECWXAP-QFIPXVFZSA-N 2 1 391.604 2.343 50 0 GEAAMP CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000023354267 570356458 /nfs/dbraw/zinc/35/64/58/570356458.db2.gz HZFQOGHEYLFOQO-FGZHOGPDSA-N 2 1 386.584 2.144 50 0 GEAAMP Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000042496570 570620519 /nfs/dbraw/zinc/62/05/19/570620519.db2.gz JSHOPAOHVNQDQP-OAQYLSRUSA-N 2 1 381.524 2.395 50 0 GEAAMP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccco1 ZINC000534664245 570922716 /nfs/dbraw/zinc/92/27/16/570922716.db2.gz IVIWHOPEIKGHRA-GOSISDBHSA-N 2 1 378.517 2.169 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1CCOCC1 ZINC000012073878 221147307 /nfs/dbraw/zinc/14/73/07/221147307.db2.gz PJALIRLIIVAHQY-NRFANRHFSA-N 2 1 395.588 2.084 50 0 GEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000012573547 221208277 /nfs/dbraw/zinc/20/82/77/221208277.db2.gz PYVGNQVGOIZYIU-QGZVFWFLSA-N 2 1 375.513 2.382 50 0 GEAAMP COCC[N@H+](C)C[C@@H]1C[NH+](C2CCN(c3ccc(C)cc3)CC2)C[C@@H]1CO ZINC000091656062 136176841 /nfs/dbraw/zinc/17/68/41/136176841.db2.gz OLBZKWVAXPFOBO-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](C2CCN(c3ccc(C)cc3)CC2)C[C@@H]1CO ZINC000091656062 136176842 /nfs/dbraw/zinc/17/68/42/136176842.db2.gz OLBZKWVAXPFOBO-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COCC[NH+](C)C[C@@H]1C[N@@H+](C2CCN(c3ccc(C)cc3)CC2)C[C@@H]1CO ZINC000091656062 136176843 /nfs/dbraw/zinc/17/68/43/136176843.db2.gz OLBZKWVAXPFOBO-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP COCC[NH+](C)C[C@@H]1C[N@H+](C2CCN(c3ccc(C)cc3)CC2)C[C@@H]1CO ZINC000091656062 136176844 /nfs/dbraw/zinc/17/68/44/136176844.db2.gz OLBZKWVAXPFOBO-WOJBJXKFSA-N 2 1 375.557 2.082 50 0 GEAAMP CCCc1nc(N2CCC([NH2+]CC(C)(C)N3CCOCC3)CC2)cc(C)[nH+]1 ZINC000095518859 136180981 /nfs/dbraw/zinc/18/09/81/136180981.db2.gz HXWDSTCCXSZZBI-UHFFFAOYSA-N 2 1 375.561 2.407 50 0 GEAAMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009139 222176034 /nfs/dbraw/zinc/17/60/34/222176034.db2.gz LFALGAOBICEHMR-LEWJYISDSA-N 2 1 388.556 2.157 50 0 GEAAMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000070009139 222176036 /nfs/dbraw/zinc/17/60/36/222176036.db2.gz LFALGAOBICEHMR-LEWJYISDSA-N 2 1 388.556 2.157 50 0 GEAAMP Cc1cccc2nc(C3CCN(C(=O)[C@H]4CC5(C[NH2+]4)CC[NH2+]CC5)CC3)[nH]c21 ZINC000072168568 222213968 /nfs/dbraw/zinc/21/39/68/222213968.db2.gz MYKRJVIWADTIDS-GOSISDBHSA-N 2 1 381.524 2.309 50 0 GEAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3ccc(C)cc3)CC2)OC1=O ZINC000072409527 222255495 /nfs/dbraw/zinc/25/54/95/222255495.db2.gz XZOZLDHDZQVGTK-UHFFFAOYSA-N 2 1 375.513 2.360 50 0 GEAAMP COc1ccc(CN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c2cccnc12 ZINC000072412339 222257357 /nfs/dbraw/zinc/25/73/57/222257357.db2.gz PVNSIYIFDMUIDB-GOSISDBHSA-N 2 1 382.508 2.276 50 0 GEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)CCCc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072425865 222258596 /nfs/dbraw/zinc/25/85/96/222258596.db2.gz SPDKJHWUMNMFMQ-LJQANCHMSA-N 2 1 375.561 2.007 50 0 GEAAMP Cc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)cn2)c1 ZINC000072477430 222264666 /nfs/dbraw/zinc/26/46/66/222264666.db2.gz LBIQQEFTYMECGP-FQEVSTJZSA-N 2 1 381.524 2.213 50 0 GEAAMP C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519111 222345165 /nfs/dbraw/zinc/34/51/65/222345165.db2.gz NOFPLPMPYOSRIW-HXUWFJFHSA-N 2 1 389.540 2.013 50 0 GEAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519111 222345168 /nfs/dbraw/zinc/34/51/68/222345168.db2.gz NOFPLPMPYOSRIW-HXUWFJFHSA-N 2 1 389.540 2.013 50 0 GEAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519111 222345169 /nfs/dbraw/zinc/34/51/69/222345169.db2.gz NOFPLPMPYOSRIW-HXUWFJFHSA-N 2 1 389.540 2.013 50 0 GEAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@H+]2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519111 222345172 /nfs/dbraw/zinc/34/51/72/222345172.db2.gz NOFPLPMPYOSRIW-HXUWFJFHSA-N 2 1 389.540 2.013 50 0 GEAAMP [NH3+]Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000082170651 222312673 /nfs/dbraw/zinc/31/26/73/222312673.db2.gz SZYBKKAYLXHLGV-HXUWFJFHSA-N 2 1 398.551 2.084 50 0 GEAAMP O[C@H](COc1cccc(C[NH+]2CCC(O)CC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095519290 222346608 /nfs/dbraw/zinc/34/66/08/222346608.db2.gz ZKBUGPRHWQNJGR-QHCPKHFHSA-N 2 1 396.531 2.441 50 0 GEAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+]3CCCC3(C)C)c2)CC1 ZINC000095528408 222352306 /nfs/dbraw/zinc/35/23/06/222352306.db2.gz XSCAVYHDARWPDW-HXUWFJFHSA-N 2 1 375.557 2.438 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+]3CCCC3(C)C)c2)CC1 ZINC000095528408 222352318 /nfs/dbraw/zinc/35/23/18/222352318.db2.gz XSCAVYHDARWPDW-HXUWFJFHSA-N 2 1 375.557 2.438 50 0 GEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+]3CCCC3(C)C)c2)CC1 ZINC000095528408 222352321 /nfs/dbraw/zinc/35/23/21/222352321.db2.gz XSCAVYHDARWPDW-HXUWFJFHSA-N 2 1 375.557 2.438 50 0 GEAAMP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)cc2c1OCO2 ZINC000048375466 570249597 /nfs/dbraw/zinc/24/95/97/570249597.db2.gz OKLKANGWLAZEPE-UHFFFAOYSA-N 2 1 383.492 2.461 50 0 GEAAMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971192 /nfs/dbraw/zinc/97/11/92/570971192.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 2 1 394.604 2.241 50 0 GEAAMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971196 /nfs/dbraw/zinc/97/11/96/570971196.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 2 1 394.604 2.241 50 0 GEAAMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971199 /nfs/dbraw/zinc/97/11/99/570971199.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 2 1 394.604 2.241 50 0 GEAAMP Cc1ccc2ncccc2c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000092078762 571044335 /nfs/dbraw/zinc/04/43/35/571044335.db2.gz BLMAFIYARYKHIX-WOJBJXKFSA-N 2 1 382.552 2.221 50 0 GEAAMP Cc1ccc2ncccc2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000092078762 571044338 /nfs/dbraw/zinc/04/43/38/571044338.db2.gz BLMAFIYARYKHIX-WOJBJXKFSA-N 2 1 382.552 2.221 50 0 GEAAMP Cc1ccc2ncccc2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000092078762 571044340 /nfs/dbraw/zinc/04/43/40/571044340.db2.gz BLMAFIYARYKHIX-WOJBJXKFSA-N 2 1 382.552 2.221 50 0 GEAAMP CCn1ccc2c1cccc2C[N@H+]1C[C@H](CO)[C@H](CN2CC[NH+](CC)CC2)C1 ZINC000095391416 571073109 /nfs/dbraw/zinc/07/31/09/571073109.db2.gz ROBJTRYZDBONCJ-NHCUHLMSSA-N 2 1 384.568 2.339 50 0 GEAAMP O=C(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000655729755 652009100 /nfs/dbraw/zinc/00/91/00/652009100.db2.gz JYOBOVBLORDHEF-KRWDZBQOSA-N 2 1 396.329 2.022 50 0 GEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)cc1 ZINC000426423110 231219290 /nfs/dbraw/zinc/21/92/90/231219290.db2.gz SQBBTSPOKUGAKJ-SFHVURJKSA-N 2 1 378.480 2.161 50 0 GEAAMP O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000011818277 221128277 /nfs/dbraw/zinc/12/82/77/221128277.db2.gz JNIMPDDQIUIAEH-JOCHJYFZSA-N 2 1 389.515 2.239 50 0 GEAAMP COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012570440 221209054 /nfs/dbraw/zinc/20/90/54/221209054.db2.gz MKXPLHHLGNQXIU-IBGZPJMESA-N 2 1 380.529 2.291 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000012573553 221209204 /nfs/dbraw/zinc/20/92/04/221209204.db2.gz PYVGNQVGOIZYIU-KRWDZBQOSA-N 2 1 375.513 2.382 50 0 GEAAMP O=C([C@@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1)N1CCCC1 ZINC000071759957 136166141 /nfs/dbraw/zinc/16/61/41/136166141.db2.gz JWYYMVBEWRECQL-MRXNPFEDSA-N 2 1 382.512 2.261 50 0 GEAAMP O=C([C@@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1)N1CCCC1 ZINC000071759957 136166142 /nfs/dbraw/zinc/16/61/42/136166142.db2.gz JWYYMVBEWRECQL-MRXNPFEDSA-N 2 1 382.512 2.261 50 0 GEAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCN(c3ccccc3Cl)CC1)CC[NH2+]CC2 ZINC000072411916 136169656 /nfs/dbraw/zinc/16/96/56/136169656.db2.gz QTRDLABMPSPUKW-GOSISDBHSA-N 2 1 376.932 2.063 50 0 GEAAMP CN(C)c1nc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ncc1F ZINC000095361621 136178077 /nfs/dbraw/zinc/17/80/77/136178077.db2.gz ILMDCAXPSGLCLL-OAHLLOKOSA-N 2 1 375.496 2.214 50 0 GEAAMP COCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071752858 222191460 /nfs/dbraw/zinc/19/14/60/222191460.db2.gz ZNHZVQCGWXVKKP-NRFANRHFSA-N 2 1 399.579 2.435 50 0 GEAAMP CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072480029 222267250 /nfs/dbraw/zinc/26/72/50/222267250.db2.gz XAUIHKLIWCHZOG-SFHVURJKSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072480029 222267252 /nfs/dbraw/zinc/26/72/52/222267252.db2.gz XAUIHKLIWCHZOG-SFHVURJKSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072480029 222267254 /nfs/dbraw/zinc/26/72/54/222267254.db2.gz XAUIHKLIWCHZOG-SFHVURJKSA-N 2 1 383.540 2.336 50 0 GEAAMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095496844 222332311 /nfs/dbraw/zinc/33/23/11/222332311.db2.gz WMEMCGZSOLRPLC-FCHUYYIVSA-N 2 1 385.552 2.264 50 0 GEAAMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095496844 222332313 /nfs/dbraw/zinc/33/23/13/222332313.db2.gz WMEMCGZSOLRPLC-FCHUYYIVSA-N 2 1 385.552 2.264 50 0 GEAAMP COc1ccc(C[N@@H+](C)CC2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095503271 222336397 /nfs/dbraw/zinc/33/63/97/222336397.db2.gz BSHDCTXJZPXQEF-FQEVSTJZSA-N 2 1 392.540 2.389 50 0 GEAAMP COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095511023 222343078 /nfs/dbraw/zinc/34/30/78/222343078.db2.gz UDZGYIMDTVWWOF-IBGZPJMESA-N 2 1 393.572 2.301 50 0 GEAAMP COc1cc(CN2CC[NH+](C)C(C)(C)C2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095511023 222343080 /nfs/dbraw/zinc/34/30/80/222343080.db2.gz UDZGYIMDTVWWOF-IBGZPJMESA-N 2 1 393.572 2.301 50 0 GEAAMP COc1cc(CN2CC[NH+](C)C(C)(C)C2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095511023 222343084 /nfs/dbraw/zinc/34/30/84/222343084.db2.gz UDZGYIMDTVWWOF-IBGZPJMESA-N 2 1 393.572 2.301 50 0 GEAAMP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082137304 222310563 /nfs/dbraw/zinc/31/05/63/222310563.db2.gz XZJZGTGTCJKPIW-OAQYLSRUSA-N 3 1 398.595 2.056 50 0 GEAAMP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082137304 222310568 /nfs/dbraw/zinc/31/05/68/222310568.db2.gz XZJZGTGTCJKPIW-OAQYLSRUSA-N 2 1 398.595 2.056 50 0 GEAAMP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082137304 222310569 /nfs/dbraw/zinc/31/05/69/222310569.db2.gz XZJZGTGTCJKPIW-OAQYLSRUSA-N 2 1 398.595 2.056 50 0 GEAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095524155 222348618 /nfs/dbraw/zinc/34/86/18/222348618.db2.gz VRKPCTHCYIIYCN-KRWDZBQOSA-N 2 1 398.594 2.033 50 0 GEAAMP COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095531822 222355040 /nfs/dbraw/zinc/35/50/40/222355040.db2.gz DIIWQDJQHZSHFM-IBGZPJMESA-N 2 1 394.556 2.370 50 0 GEAAMP CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC000096132751 528262061 /nfs/dbraw/zinc/26/20/61/528262061.db2.gz MAIFQHQPOHZFEQ-HXUWFJFHSA-N 2 1 393.535 2.210 50 0 GEAAMP CCNC(=O)c1ccnc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095525063 535450302 /nfs/dbraw/zinc/45/03/02/535450302.db2.gz TZPMCXCTXJVNRB-GOSISDBHSA-N 2 1 384.528 2.364 50 0 GEAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(CNCC[NH+]2CCCCC2)cc1OC ZINC000020534138 570265934 /nfs/dbraw/zinc/26/59/34/570265934.db2.gz IPKIQTQKEQUOJM-HXUWFJFHSA-N 2 1 393.572 2.352 50 0 GEAAMP CCN(CC)CC[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000020996115 570286648 /nfs/dbraw/zinc/28/66/48/570286648.db2.gz ZAAKJQDJHRYWQN-LJQANCHMSA-N 2 1 381.561 2.207 50 0 GEAAMP CC[NH+](CC)CCNCc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000020996115 570286649 /nfs/dbraw/zinc/28/66/49/570286649.db2.gz ZAAKJQDJHRYWQN-LJQANCHMSA-N 2 1 381.561 2.207 50 0 GEAAMP CC[NH+](CC)CCNCc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000020996115 570286651 /nfs/dbraw/zinc/28/66/51/570286651.db2.gz ZAAKJQDJHRYWQN-LJQANCHMSA-N 2 1 381.561 2.207 50 0 GEAAMP CCc1[nH]c(CN2CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC2)c(C)[nH+]1 ZINC000020996071 570286887 /nfs/dbraw/zinc/28/68/87/570286887.db2.gz KQBOPEZCAGYFQW-UHFFFAOYSA-N 2 1 375.561 2.482 50 0 GEAAMP COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)c1 ZINC000034684822 570301735 /nfs/dbraw/zinc/30/17/35/570301735.db2.gz JJEUNSWXPPZGHQ-UHFFFAOYSA-N 2 1 396.535 2.309 50 0 GEAAMP COCCn1c(C[NH2+]Cc2csc3c2CCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000219489100 570364154 /nfs/dbraw/zinc/36/41/54/570364154.db2.gz HSLSBMUINCQOOX-OTVXOJSOSA-N 2 1 375.542 2.359 50 0 GEAAMP COc1ccc(C[NH2+]C2CCCCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019224912 570964130 /nfs/dbraw/zinc/96/41/30/570964130.db2.gz DFBRMAYPRGVPHC-HXUWFJFHSA-N 2 1 391.556 2.105 50 0 GEAAMP COc1ccc2cc(C[N@H+]3C[C@H](CO)[C@H](C[NH+]4CCC(O)CC4)C3)ccc2c1 ZINC000095359014 571054155 /nfs/dbraw/zinc/05/41/55/571054155.db2.gz YOVVXRLKHNGGCH-NHCUHLMSSA-N 2 1 384.520 2.345 50 0 GEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](C3CSCCSC3)C[C@@H]2CCO)CC1 ZINC000022929048 531593991 /nfs/dbraw/zinc/59/39/91/531593991.db2.gz AQZKWKJOKNBGCW-SFHVURJKSA-N 2 1 387.659 2.076 50 0 GEAAMP CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011818109 221127861 /nfs/dbraw/zinc/12/78/61/221127861.db2.gz NHEUFEXDVMWRAW-QFIPXVFZSA-N 2 1 399.535 2.300 50 0 GEAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccncc1 ZINC000012443227 221195254 /nfs/dbraw/zinc/19/52/54/221195254.db2.gz BWVMITIJLJSWDX-NRFANRHFSA-N 2 1 388.556 2.367 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC ZINC000012459392 221198806 /nfs/dbraw/zinc/19/88/06/221198806.db2.gz MWPJAUCGYFEYIB-IBGZPJMESA-N 2 1 380.529 2.388 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OC ZINC000015065028 221328001 /nfs/dbraw/zinc/32/80/01/221328001.db2.gz QPHIANVNWRSKEU-IBGZPJMESA-N 2 1 388.512 2.199 50 0 GEAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC ZINC000015065028 221328003 /nfs/dbraw/zinc/32/80/03/221328003.db2.gz QPHIANVNWRSKEU-IBGZPJMESA-N 2 1 388.512 2.199 50 0 GEAAMP COC(=O)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015065241 221328938 /nfs/dbraw/zinc/32/89/38/221328938.db2.gz KWGDNQURCDFGBJ-LJQANCHMSA-N 2 1 387.524 2.042 50 0 GEAAMP COC(=O)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015065241 221328940 /nfs/dbraw/zinc/32/89/40/221328940.db2.gz KWGDNQURCDFGBJ-LJQANCHMSA-N 2 1 387.524 2.042 50 0 GEAAMP Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000015075242 221331472 /nfs/dbraw/zinc/33/14/72/221331472.db2.gz DTAJAWOFHYHLJD-SFHVURJKSA-N 2 1 375.561 2.270 50 0 GEAAMP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067975766 222170882 /nfs/dbraw/zinc/17/08/82/222170882.db2.gz WKXKKUGSONITSA-QHCPKHFHSA-N 2 1 387.568 2.435 50 0 GEAAMP C[NH+](C)Cc1ccc(CNC(=O)CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000072318951 222226603 /nfs/dbraw/zinc/22/66/03/222226603.db2.gz XAKZYWCDXJJFIS-UHFFFAOYSA-N 2 1 386.565 2.244 50 0 GEAAMP CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072480030 222267118 /nfs/dbraw/zinc/26/71/18/222267118.db2.gz XAUIHKLIWCHZOG-GOSISDBHSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072480030 222267119 /nfs/dbraw/zinc/26/71/19/222267119.db2.gz XAUIHKLIWCHZOG-GOSISDBHSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072480030 222267121 /nfs/dbraw/zinc/26/71/21/222267121.db2.gz XAUIHKLIWCHZOG-GOSISDBHSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccnn1C ZINC000095499780 222334619 /nfs/dbraw/zinc/33/46/19/222334619.db2.gz AOMFIGPSNFMPKN-UHFFFAOYSA-N 2 1 375.561 2.007 50 0 GEAAMP CN(C)C(=O)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095503937 222335833 /nfs/dbraw/zinc/33/58/33/222335833.db2.gz VNVCPAGUUCZRCJ-HSZRJFAPSA-N 2 1 399.579 2.435 50 0 GEAAMP Cc1[nH+]cn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)c1C ZINC000095519836 222346709 /nfs/dbraw/zinc/34/67/09/222346709.db2.gz UNDMBOZDJMPCQO-UHFFFAOYSA-N 2 1 384.528 2.255 50 0 GEAAMP Cc1[nH+]cn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)c1C ZINC000095519836 222346713 /nfs/dbraw/zinc/34/67/13/222346713.db2.gz UNDMBOZDJMPCQO-UHFFFAOYSA-N 2 1 384.528 2.255 50 0 GEAAMP C[N@@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523639 222348892 /nfs/dbraw/zinc/34/88/92/222348892.db2.gz KBFYXROIEZTAIH-HXUWFJFHSA-N 2 1 394.581 2.210 50 0 GEAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000095530398 222352266 /nfs/dbraw/zinc/35/22/66/222352266.db2.gz PEVXIUNDBHFRFA-IBGZPJMESA-N 2 1 378.513 2.152 50 0 GEAAMP CNC(=O)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095528561 222353401 /nfs/dbraw/zinc/35/34/01/222353401.db2.gz IWJGVTLJRWFRJS-JOCHJYFZSA-N 2 1 385.552 2.093 50 0 GEAAMP COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095531823 222354574 /nfs/dbraw/zinc/35/45/74/222354574.db2.gz DIIWQDJQHZSHFM-LJQANCHMSA-N 2 1 394.556 2.370 50 0 GEAAMP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000019720628 570211447 /nfs/dbraw/zinc/21/14/47/570211447.db2.gz NKRIEDFFKFWRDU-QHCPKHFHSA-N 2 1 397.567 2.144 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1ccccn1)C[C@@H]2CO ZINC000097402328 570243434 /nfs/dbraw/zinc/24/34/34/570243434.db2.gz FVXSFJAXIGUPKC-LJQANCHMSA-N 2 1 383.540 2.395 50 0 GEAAMP CCn1ccnc1C[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccccn1)C[C@@H]2CO ZINC000097402328 570243436 /nfs/dbraw/zinc/24/34/36/570243436.db2.gz FVXSFJAXIGUPKC-LJQANCHMSA-N 2 1 383.540 2.395 50 0 GEAAMP CCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C[C@@H]2CO ZINC000097425140 570243969 /nfs/dbraw/zinc/24/39/69/570243969.db2.gz BXMFYVUBWTUWEQ-LJQANCHMSA-N 2 1 384.528 2.173 50 0 GEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](C3CSCCSC3)C[C@H]2CCO)CC1 ZINC000104842898 570260648 /nfs/dbraw/zinc/26/06/48/570260648.db2.gz AQZKWKJOKNBGCW-GOSISDBHSA-N 2 1 387.659 2.076 50 0 GEAAMP COc1cc(C)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1C ZINC000020779334 570279952 /nfs/dbraw/zinc/27/99/52/570279952.db2.gz TVEHPLPBEKKMLQ-NRFANRHFSA-N 2 1 375.557 2.275 50 0 GEAAMP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCC[NH+](Cc1cccnc1)C3)C2 ZINC000072147075 570872044 /nfs/dbraw/zinc/87/20/44/570872044.db2.gz YPBGLHQTGHXSQO-LEWJYISDSA-N 2 1 380.540 2.353 50 0 GEAAMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCC[NH+](Cc1cccnc1)C3)C2 ZINC000072147075 570872047 /nfs/dbraw/zinc/87/20/47/570872047.db2.gz YPBGLHQTGHXSQO-LEWJYISDSA-N 2 1 380.540 2.353 50 0 GEAAMP C[NH+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCC[N@H+](Cc1cccnc1)C3)C2 ZINC000072147075 570872050 /nfs/dbraw/zinc/87/20/50/570872050.db2.gz YPBGLHQTGHXSQO-LEWJYISDSA-N 2 1 380.540 2.353 50 0 GEAAMP C[NH+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCC[N@@H+](Cc1cccnc1)C3)C2 ZINC000072147075 570872053 /nfs/dbraw/zinc/87/20/53/570872053.db2.gz YPBGLHQTGHXSQO-LEWJYISDSA-N 2 1 380.540 2.353 50 0 GEAAMP CCN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091690887 571025945 /nfs/dbraw/zinc/02/59/45/571025945.db2.gz KFNYBAMPOLQWDD-OAQYLSRUSA-N 2 1 399.579 2.171 50 0 GEAAMP CCCOc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1OC ZINC000020968239 531582874 /nfs/dbraw/zinc/58/28/74/531582874.db2.gz IIMWHXHEJLKURQ-UHFFFAOYSA-N 2 1 375.307 2.308 50 0 GEAAMP CCn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012209559 221168140 /nfs/dbraw/zinc/16/81/40/221168140.db2.gz YDUOPSALEPKITC-GOSISDBHSA-N 2 1 375.561 2.448 50 0 GEAAMP CCn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012209559 221168141 /nfs/dbraw/zinc/16/81/41/221168141.db2.gz YDUOPSALEPKITC-GOSISDBHSA-N 2 1 375.561 2.448 50 0 GEAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065369933 222126019 /nfs/dbraw/zinc/12/60/19/222126019.db2.gz KYUZXCJWGZVTFV-GOSISDBHSA-N 2 1 382.508 2.336 50 0 GEAAMP O=C(NCc1ccncn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071770824 222195080 /nfs/dbraw/zinc/19/50/80/222195080.db2.gz OEXAZJSNQXKPNG-HXUWFJFHSA-N 2 1 393.535 2.469 50 0 GEAAMP O=C(NCc1ccncn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071770824 222195083 /nfs/dbraw/zinc/19/50/83/222195083.db2.gz OEXAZJSNQXKPNG-HXUWFJFHSA-N 2 1 393.535 2.469 50 0 GEAAMP CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072430558 222258966 /nfs/dbraw/zinc/25/89/66/222258966.db2.gz OWWCEDUZNHZAPO-LJQANCHMSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072430558 222258969 /nfs/dbraw/zinc/25/89/69/222258969.db2.gz OWWCEDUZNHZAPO-LJQANCHMSA-N 2 1 383.540 2.336 50 0 GEAAMP CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072430558 222258970 /nfs/dbraw/zinc/25/89/70/222258970.db2.gz OWWCEDUZNHZAPO-LJQANCHMSA-N 2 1 383.540 2.336 50 0 GEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)CCCc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072425866 222259034 /nfs/dbraw/zinc/25/90/34/222259034.db2.gz SPDKJHWUMNMFMQ-IBGZPJMESA-N 2 1 375.561 2.007 50 0 GEAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnon1 ZINC000095506660 222338939 /nfs/dbraw/zinc/33/89/39/222338939.db2.gz VHGARYLXQFOMRB-INIZCTEOSA-N 2 1 389.475 2.125 50 0 GEAAMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000096003145 222369507 /nfs/dbraw/zinc/36/95/07/222369507.db2.gz OFQVZVAWORAWHO-SESVDKBCSA-N 2 1 391.581 2.301 50 0 GEAAMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426698190 528740424 /nfs/dbraw/zinc/74/04/24/528740424.db2.gz HICYXSKTTGPUSC-NRFANRHFSA-N 2 1 388.556 2.262 50 0 GEAAMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426698190 528740427 /nfs/dbraw/zinc/74/04/27/528740427.db2.gz HICYXSKTTGPUSC-NRFANRHFSA-N 2 1 388.556 2.262 50 0 GEAAMP CC(C)=CC[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1CCO ZINC000019721090 570211305 /nfs/dbraw/zinc/21/13/05/570211305.db2.gz PTOJSTICBSFKDV-NRFANRHFSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1CCO ZINC000019721090 570211307 /nfs/dbraw/zinc/21/13/07/570211307.db2.gz PTOJSTICBSFKDV-NRFANRHFSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1CCO ZINC000019721090 570211309 /nfs/dbraw/zinc/21/13/09/570211309.db2.gz PTOJSTICBSFKDV-NRFANRHFSA-N 2 1 375.557 2.462 50 0 GEAAMP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000019837584 570224313 /nfs/dbraw/zinc/22/43/13/570224313.db2.gz HGFXYGRQTXSQEV-OAQYLSRUSA-N 2 1 375.557 2.438 50 0 GEAAMP C[N@@H+](C[C@@H](O)COc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000019837584 570224310 /nfs/dbraw/zinc/22/43/10/570224310.db2.gz HGFXYGRQTXSQEV-OAQYLSRUSA-N 2 1 375.557 2.438 50 0 GEAAMP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000019837584 570224314 /nfs/dbraw/zinc/22/43/14/570224314.db2.gz HGFXYGRQTXSQEV-OAQYLSRUSA-N 2 1 375.557 2.438 50 0 GEAAMP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)[C@H](CO)C1 ZINC000097532480 570245795 /nfs/dbraw/zinc/24/57/95/570245795.db2.gz MFPQVXKYVDATDX-FQEVSTJZSA-N 2 1 386.536 2.113 50 0 GEAAMP CCOC(=O)C[N@H+]1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)[C@H](CO)C1 ZINC000097532480 570245796 /nfs/dbraw/zinc/24/57/96/570245796.db2.gz MFPQVXKYVDATDX-FQEVSTJZSA-N 2 1 386.536 2.113 50 0 GEAAMP CC(C)=CC[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1CCO ZINC000104636218 570255802 /nfs/dbraw/zinc/25/58/02/570255802.db2.gz PTOJSTICBSFKDV-OAQYLSRUSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1CCO ZINC000104636218 570255804 /nfs/dbraw/zinc/25/58/04/570255804.db2.gz PTOJSTICBSFKDV-OAQYLSRUSA-N 2 1 375.557 2.462 50 0 GEAAMP CC(C)=CCN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1CCO ZINC000104636218 570255805 /nfs/dbraw/zinc/25/58/05/570255805.db2.gz PTOJSTICBSFKDV-OAQYLSRUSA-N 2 1 375.557 2.462 50 0 GEAAMP CC[NH+]1CCN(C2CCN(C(=O)c3ccc([C@H]4CCC[NH2+]4)s3)CC2)CC1 ZINC000020472551 570261052 /nfs/dbraw/zinc/26/10/52/570261052.db2.gz WRGZSPOCCXNTSJ-QGZVFWFLSA-N 2 1 376.570 2.415 50 0 GEAAMP CC(C)([NH3+])c1cn(CC2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020541461 570266613 /nfs/dbraw/zinc/26/66/13/570266613.db2.gz KIPUDQYKHSVNNT-FQEVSTJZSA-N 2 1 382.556 2.458 50 0 GEAAMP CC(C)([NH3+])c1cn(CC2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020541461 570266615 /nfs/dbraw/zinc/26/66/15/570266615.db2.gz KIPUDQYKHSVNNT-FQEVSTJZSA-N 2 1 382.556 2.458 50 0 GEAAMP COCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000216142574 570296349 /nfs/dbraw/zinc/29/63/49/570296349.db2.gz URYVOCRLUCHLLV-FQEVSTJZSA-N 2 1 377.504 2.407 50 0 GEAAMP COCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000216142574 570296351 /nfs/dbraw/zinc/29/63/51/570296351.db2.gz URYVOCRLUCHLLV-FQEVSTJZSA-N 2 1 377.504 2.407 50 0 GEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000011817044 570436194 /nfs/dbraw/zinc/43/61/94/570436194.db2.gz HCVVQPOLGCZHQD-GOSISDBHSA-N 2 1 384.528 2.362 50 0 GEAAMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCCCCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000252671024 570480216 /nfs/dbraw/zinc/48/02/16/570480216.db2.gz MLELBJXKVZSNIX-PMACEKPBSA-N 2 1 394.604 2.432 50 0 GEAAMP Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000042496568 570620313 /nfs/dbraw/zinc/62/03/13/570620313.db2.gz JSHOPAOHVNQDQP-NRFANRHFSA-N 2 1 381.524 2.395 50 0 GEAAMP COCCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000055042169 570680043 /nfs/dbraw/zinc/68/00/43/570680043.db2.gz GVFSHFGUZHAOSS-GOSISDBHSA-N 2 1 377.529 2.451 50 0 GEAAMP CCC[NH+]1CCN(C(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256244 570754987 /nfs/dbraw/zinc/75/49/87/570754987.db2.gz BUUPRQQXMZGHAA-OAQYLSRUSA-N 2 1 393.535 2.400 50 0 GEAAMP C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000019225417 570963816 /nfs/dbraw/zinc/96/38/16/570963816.db2.gz IYRIETIFPVQKFR-FQEVSTJZSA-N 2 1 385.556 2.218 50 0 GEAAMP CC[NH+]1CCN(C2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)CC1 ZINC000019369079 570980164 /nfs/dbraw/zinc/98/01/64/570980164.db2.gz BHOIMCSKXWRAQP-UHFFFAOYSA-N 2 1 377.529 2.314 50 0 GEAAMP CC[NH+](CC)CC(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091587366 571016072 /nfs/dbraw/zinc/01/60/72/571016072.db2.gz YITSEJXRNFZZPB-UHFFFAOYSA-N 2 1 390.576 2.239 50 0 GEAAMP