smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(OCC[NH+](C)C)c1 ZINC000003738374 563487395 /nfs/dbraw/zinc/48/73/95/563487395.db2.gz UYYSCOZGLPIEKR-OAQYLSRUSA-N 1 3 349.478 3.652 50 0 EHAAHO CC1(C)C[N@H+](Cc2cc(CN3CCCCC3)cs2)CC[C@]1(C)O ZINC000091817614 563975799 /nfs/dbraw/zinc/97/57/99/563975799.db2.gz FGRFSMJVTRQYPB-IBGZPJMESA-N 1 3 336.545 3.717 50 0 EHAAHO CC1(C)C[N@@H+](Cc2cc(CN3CCCCC3)cs2)CC[C@]1(C)O ZINC000091817614 563975800 /nfs/dbraw/zinc/97/58/00/563975800.db2.gz FGRFSMJVTRQYPB-IBGZPJMESA-N 1 3 336.545 3.717 50 0 EHAAHO CC1(C)[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000123281731 564085925 /nfs/dbraw/zinc/08/59/25/564085925.db2.gz ZOAJJSZDEJSXCZ-IOMROCGXSA-N 1 3 342.527 3.659 50 0 EHAAHO C[C@@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccnn1C ZINC000192649197 533458349 /nfs/dbraw/zinc/45/83/49/533458349.db2.gz ACEVAWLABOGBIY-QGZVFWFLSA-N 1 3 348.494 4.000 50 0 EHAAHO Cc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)c(C)o2)s1 ZINC000067675664 563962464 /nfs/dbraw/zinc/96/24/64/563962464.db2.gz SHBGYCJGAQKWBW-UHFFFAOYSA-N 1 3 331.485 3.595 50 0 EHAAHO Cc1ccc(-c2ccc(N3CCC([N@@H+]4CC[C@H](CN)C4)CC3)cc2)cc1 ZINC000020207549 563858797 /nfs/dbraw/zinc/85/87/97/563858797.db2.gz JHFHGTCVKBWSEH-LJQANCHMSA-N 1 3 349.522 3.911 50 0 EHAAHO Cc1ccc(-c2ccc(N3CCC([N@H+]4CC[C@H](CN)C4)CC3)cc2)cc1 ZINC000020207549 563858800 /nfs/dbraw/zinc/85/88/00/563858800.db2.gz JHFHGTCVKBWSEH-LJQANCHMSA-N 1 3 349.522 3.911 50 0 EHAAHO C[NH+]1CCC(C)(CN(Cc2ccncc2)Cc2ccc(F)cc2)CC1 ZINC000055342200 563934428 /nfs/dbraw/zinc/93/44/28/563934428.db2.gz XASPNDHTDKNIAI-UHFFFAOYSA-N 1 3 341.474 3.955 50 0 EHAAHO Cc1ccc(NC2CCN(Cc3ccncc3)CC2)c(C[NH+](C)C)c1 ZINC000097082137 563973161 /nfs/dbraw/zinc/97/31/61/563973161.db2.gz MTMCLKCGLUNHAI-UHFFFAOYSA-N 1 3 338.499 3.528 50 0 EHAAHO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000097638000 563981753 /nfs/dbraw/zinc/98/17/53/563981753.db2.gz XMOBPLJGQQVCJQ-INIZCTEOSA-N 1 3 344.528 3.587 50 0 EHAAHO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000097638000 563981754 /nfs/dbraw/zinc/98/17/54/563981754.db2.gz XMOBPLJGQQVCJQ-INIZCTEOSA-N 1 3 344.528 3.587 50 0 EHAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135719 563885096 /nfs/dbraw/zinc/88/50/96/563885096.db2.gz VVRJVEBKDAHHAI-OSLDLMBLSA-N 1 3 338.442 3.984 50 0 EHAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135719 563885099 /nfs/dbraw/zinc/88/50/99/563885099.db2.gz VVRJVEBKDAHHAI-OSLDLMBLSA-N 1 3 338.442 3.984 50 0 EHAAHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641687 564013498 /nfs/dbraw/zinc/01/34/98/564013498.db2.gz GLMGOLARIGOMTN-QRWLVFNGSA-N 1 3 344.886 3.757 50 0 EHAAHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641687 564013499 /nfs/dbraw/zinc/01/34/99/564013499.db2.gz GLMGOLARIGOMTN-QRWLVFNGSA-N 1 3 344.886 3.757 50 0 EHAAHO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091894357 563975841 /nfs/dbraw/zinc/97/58/41/563975841.db2.gz AYILHWODKSIFLH-FQEVSTJZSA-N 1 3 335.495 3.783 50 0 EHAAHO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091894357 563975842 /nfs/dbraw/zinc/97/58/42/563975842.db2.gz AYILHWODKSIFLH-FQEVSTJZSA-N 1 3 335.495 3.783 50 0 EHAAHO COCc1cc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)ccc1OC ZINC000096479047 564148510 /nfs/dbraw/zinc/14/85/10/564148510.db2.gz CKDZOCVNJNIILK-MRXNPFEDSA-N 1 3 346.515 3.899 50 0 EHAAHO C[C@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccnn1C ZINC000192649185 564092614 /nfs/dbraw/zinc/09/26/14/564092614.db2.gz ACEVAWLABOGBIY-KRWDZBQOSA-N 1 3 348.494 4.000 50 0 EHAAHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968187 564143209 /nfs/dbraw/zinc/14/32/09/564143209.db2.gz CWKXMYHQGYPPCU-HIFRSBDPSA-N 1 3 342.936 3.943 50 0 EHAAHO CN(Cc1ccc(-c2cc[nH]n2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000823709230 1131079311 /nfs/dbraw/zinc/07/93/11/1131079311.db2.gz OUXBCLLBFBAMQI-UHFFFAOYSA-N 1 3 340.496 3.832 50 0 EHAAHO COc1ccc([C@@H](C)NCc2cccnc2)cc1C[NH+]1CCCC1 ZINC000089904657 564114961 /nfs/dbraw/zinc/11/49/61/564114961.db2.gz RHUBIRULNOXFEZ-MRXNPFEDSA-N 1 3 325.456 3.537 50 0 EHAAHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000096008363 564144623 /nfs/dbraw/zinc/14/46/23/564144623.db2.gz YNCOOVKBGWLBSC-CALCHBBNSA-N 1 3 336.545 3.502 50 0 EHAAHO C[C@H]1CCCCN1C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000822409509 1130991517 /nfs/dbraw/zinc/99/15/17/1130991517.db2.gz BIJJDPQUBPNVJV-KRWDZBQOSA-N 1 3 347.572 3.793 50 0 EHAAHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000952871696 1137483036 /nfs/dbraw/zinc/48/30/36/1137483036.db2.gz BMRQXBWHQISKTF-INIZCTEOSA-N 1 3 347.846 3.527 50 0 EHAAHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436699 205374755 /nfs/dbraw/zinc/37/47/55/205374755.db2.gz GLMGOLARIGOMTN-MGPUTAFESA-N 1 3 344.886 3.757 50 0 EHAAHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436699 205374761 /nfs/dbraw/zinc/37/47/61/205374761.db2.gz GLMGOLARIGOMTN-MGPUTAFESA-N 1 3 344.886 3.757 50 0 EHAAHO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000096162550 563979888 /nfs/dbraw/zinc/97/98/88/563979888.db2.gz QDFZILIUTXFHMB-OAQYLSRUSA-N 1 3 335.495 3.783 50 0 EHAAHO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000096162550 563979889 /nfs/dbraw/zinc/97/98/89/563979889.db2.gz QDFZILIUTXFHMB-OAQYLSRUSA-N 1 3 335.495 3.783 50 0 EHAAHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000195541190 564123654 /nfs/dbraw/zinc/12/36/54/564123654.db2.gz BSDGIYBDHXKABB-YTQUADARSA-N 1 3 346.515 3.768 50 0 EHAAHO N[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCCCC1 ZINC000952968729 1137485128 /nfs/dbraw/zinc/48/51/28/1137485128.db2.gz FQNNRRHIEGJINO-IBGZPJMESA-N 1 3 329.488 3.519 50 0 EHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cnn(C(C)C)c3)CC2)o1 ZINC000011878252 563651817 /nfs/dbraw/zinc/65/18/17/563651817.db2.gz CQHBFQRJRIOXMG-UHFFFAOYSA-N 1 3 344.503 3.709 50 0 EHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cnn(C(C)C)c3)CC2)o1 ZINC000011878252 563651820 /nfs/dbraw/zinc/65/18/20/563651820.db2.gz CQHBFQRJRIOXMG-UHFFFAOYSA-N 1 3 344.503 3.709 50 0 EHAAHO CC[NH+]1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000012533002 564058362 /nfs/dbraw/zinc/05/83/62/564058362.db2.gz UORSWOOIOXYVEX-UHFFFAOYSA-N 1 3 334.467 3.599 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370853 564130372 /nfs/dbraw/zinc/13/03/72/564130372.db2.gz XGEQBBXZGMUVCP-OALUTQOASA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370853 564130373 /nfs/dbraw/zinc/13/03/73/564130373.db2.gz XGEQBBXZGMUVCP-OALUTQOASA-N 1 3 345.556 3.583 50 0 EHAAHO CCOc1cccc(C[NH2+]CCC2CCN(c3ccncc3)CC2)c1 ZINC000095462166 564140812 /nfs/dbraw/zinc/14/08/12/564140812.db2.gz OKVZGYVDNDVTCD-UHFFFAOYSA-N 1 3 339.483 3.877 50 0 EHAAHO Clc1cccc(CNC2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000078394258 202390399 /nfs/dbraw/zinc/39/03/99/202390399.db2.gz SAMYWISCIAZNSW-UHFFFAOYSA-N 1 3 329.875 3.532 50 0 EHAAHO Cn1ccc2ccc(CN3CCC(C[NH+]4CCCCC4)CC3)cc21 ZINC000077288080 203378920 /nfs/dbraw/zinc/37/89/20/203378920.db2.gz XZHCFQPSWDPECB-UHFFFAOYSA-N 1 3 325.500 3.876 50 0 EHAAHO CN(Cc1ccccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012449439 563892583 /nfs/dbraw/zinc/89/25/83/563892583.db2.gz OBBTWKGRUUAFAR-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091624978 563975591 /nfs/dbraw/zinc/97/55/91/563975591.db2.gz SSVUMOKJOUVBTF-OAQYLSRUSA-N 1 3 335.495 3.783 50 0 EHAAHO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091624978 563975592 /nfs/dbraw/zinc/97/55/92/563975592.db2.gz SSVUMOKJOUVBTF-OAQYLSRUSA-N 1 3 335.495 3.783 50 0 EHAAHO CC1(C)[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000123281514 564085873 /nfs/dbraw/zinc/08/58/73/564085873.db2.gz ZOAJJSZDEJSXCZ-DZFGPLHGSA-N 1 3 342.527 3.659 50 0 EHAAHO Cc1ncc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c(C)n1 ZINC000090775291 564086519 /nfs/dbraw/zinc/08/65/19/564086519.db2.gz GRVMDIOXHJDLHQ-IVMQYODDSA-N 1 3 330.520 3.787 50 0 EHAAHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000095423609 564140219 /nfs/dbraw/zinc/14/02/19/564140219.db2.gz VVKDJDYKNINAND-JOCHJYFZSA-N 1 3 338.495 3.884 50 0 EHAAHO CC[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000095423609 564140220 /nfs/dbraw/zinc/14/02/20/564140220.db2.gz VVKDJDYKNINAND-JOCHJYFZSA-N 1 3 338.495 3.884 50 0 EHAAHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccsc3)CC2)C[C@@H](C)O1 ZINC000096008365 564144642 /nfs/dbraw/zinc/14/46/42/564144642.db2.gz YNCOOVKBGWLBSC-IAGOWNOFSA-N 1 3 336.545 3.502 50 0 EHAAHO COc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000192444056 1024009256 /nfs/dbraw/zinc/00/92/56/1024009256.db2.gz ZPCUBEPXNRIJES-IBGZPJMESA-N 1 3 342.527 3.939 50 0 EHAAHO COCc1ccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)o1 ZINC000011999325 1129250499 /nfs/dbraw/zinc/25/04/99/1129250499.db2.gz ZNCOIZFHHVPJMD-UHFFFAOYSA-N 1 3 346.471 3.671 50 0 EHAAHO COCc1ccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)o1 ZINC000011999325 1129250500 /nfs/dbraw/zinc/25/05/00/1129250500.db2.gz ZNCOIZFHHVPJMD-UHFFFAOYSA-N 1 3 346.471 3.671 50 0 EHAAHO COC[C@H]1CCCCN1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215419925 241125099 /nfs/dbraw/zinc/12/50/99/241125099.db2.gz AEIZJJNBOOMKON-HXUWFJFHSA-N 1 3 346.515 3.552 50 0 EHAAHO CC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccs1 ZINC000095423610 218365875 /nfs/dbraw/zinc/36/58/75/218365875.db2.gz TVFRDMAYDGASTF-IBGZPJMESA-N 1 3 344.524 3.946 50 0 EHAAHO CC[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccs1 ZINC000095423610 218365877 /nfs/dbraw/zinc/36/58/77/218365877.db2.gz TVFRDMAYDGASTF-IBGZPJMESA-N 1 3 344.524 3.946 50 0 EHAAHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccs1 ZINC000095423611 218366306 /nfs/dbraw/zinc/36/63/06/218366306.db2.gz TVFRDMAYDGASTF-LJQANCHMSA-N 1 3 344.524 3.946 50 0 EHAAHO CC[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccs1 ZINC000095423611 218366308 /nfs/dbraw/zinc/36/63/08/218366308.db2.gz TVFRDMAYDGASTF-LJQANCHMSA-N 1 3 344.524 3.946 50 0 EHAAHO COc1cccc([C@H](C[C@@H]2CCCO2)NC2CC[NH+](C3CC3)CC2)c1 ZINC000095419583 564139884 /nfs/dbraw/zinc/13/98/84/564139884.db2.gz WCEAMROCDLHDPD-SFTDATJTSA-N 1 3 344.499 3.522 50 0 EHAAHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968185 564143216 /nfs/dbraw/zinc/14/32/16/564143216.db2.gz CWKXMYHQGYPPCU-ZFWWWQNUSA-N 1 3 342.936 3.943 50 0 EHAAHO Clc1ccc(CNC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000071792602 203113485 /nfs/dbraw/zinc/11/34/85/203113485.db2.gz CTOLXCMGAJRCOV-UHFFFAOYSA-N 1 3 329.875 3.532 50 0 EHAAHO CCn1nc(C)c(CN2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000015069244 564053207 /nfs/dbraw/zinc/05/32/07/564053207.db2.gz KPHAEXZKMMCYLT-FQEVSTJZSA-N 1 3 346.563 3.710 50 0 EHAAHO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c2ccccc2n1 ZINC000095963234 203778318 /nfs/dbraw/zinc/77/83/18/203778318.db2.gz YCHDCLPCXLJPNH-UHFFFAOYSA-N 1 3 327.472 3.845 50 0 EHAAHO Cc1nccn1CC[C@H](C)[NH2+]CCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000534653374 564061398 /nfs/dbraw/zinc/06/13/98/564061398.db2.gz GZMDVXMBADCMII-HNNXBMFYSA-N 1 3 339.487 3.686 50 0 EHAAHO Cc1ncc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c(C)n1 ZINC000090775290 564086504 /nfs/dbraw/zinc/08/65/04/564086504.db2.gz GRVMDIOXHJDLHQ-IPJUCJBFSA-N 1 3 330.520 3.787 50 0 EHAAHO CN(C[C@H]1CC[C@@H](Cc2ccc3occc3c2)O1)C1CC[NH+](C)CC1 ZINC000067872799 564167169 /nfs/dbraw/zinc/16/71/69/564167169.db2.gz LRXGETKDHUKSIK-VQTJNVASSA-N 1 3 342.483 3.549 50 0 EHAAHO COCC[N@H+](CC(C)C)CC1CCN(Cc2ccccc2F)CC1 ZINC000012459632 564053674 /nfs/dbraw/zinc/05/36/74/564053674.db2.gz YVXYOQIZPGPKLB-UHFFFAOYSA-N 1 3 336.495 3.642 50 0 EHAAHO COCC[N@@H+](CC(C)C)CC1CCN(Cc2ccccc2F)CC1 ZINC000012459632 564053675 /nfs/dbraw/zinc/05/36/75/564053675.db2.gz YVXYOQIZPGPKLB-UHFFFAOYSA-N 1 3 336.495 3.642 50 0 EHAAHO c1cc(CN2CCCC2)cc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072421884 216210507 /nfs/dbraw/zinc/21/05/07/216210507.db2.gz MOXACVIIJGCIAB-PZJWPPBQSA-N 1 3 328.500 3.926 50 0 EHAAHO c1cc(CN2CCCC2)cc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000072421884 216210510 /nfs/dbraw/zinc/21/05/10/216210510.db2.gz MOXACVIIJGCIAB-PZJWPPBQSA-N 1 3 328.500 3.926 50 0 EHAAHO COC[C@@H]1CCCCN1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215419881 241126556 /nfs/dbraw/zinc/12/65/56/241126556.db2.gz AEIZJJNBOOMKON-FQEVSTJZSA-N 1 3 346.515 3.552 50 0 EHAAHO C[N@@H+](Cc1cccnc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012449198 211387631 /nfs/dbraw/zinc/38/76/31/211387631.db2.gz CBVXSYCIIZWRBB-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[N@H+](Cc1cccnc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012449198 211387636 /nfs/dbraw/zinc/38/76/36/211387636.db2.gz CBVXSYCIIZWRBB-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO c1ccc2c(c1)CCN(Cc1ccc(OC[C@H]3CCC[NH2+]C3)cc1)C2 ZINC000299787711 258094302 /nfs/dbraw/zinc/09/43/02/258094302.db2.gz ZWQZQEDNLUOBCG-IBGZPJMESA-N 1 3 336.479 3.623 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232115 563970744 /nfs/dbraw/zinc/97/07/44/563970744.db2.gz XGEQBBXZGMUVCP-RBUKOAKNSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232115 563970745 /nfs/dbraw/zinc/97/07/45/563970745.db2.gz XGEQBBXZGMUVCP-RBUKOAKNSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1nccn1CCC1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000055073284 214269326 /nfs/dbraw/zinc/26/93/26/214269326.db2.gz NUKKBHRUEPJXHK-LEWJYISDSA-N 1 3 344.547 3.558 50 0 EHAAHO C[C@@H](N[C@@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421348 218363573 /nfs/dbraw/zinc/36/35/73/218363573.db2.gz YTWFEDATJQSRIF-XLIONFOSSA-N 1 3 341.499 3.698 50 0 EHAAHO C[C@@H](N[C@@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421348 218363574 /nfs/dbraw/zinc/36/35/74/218363574.db2.gz YTWFEDATJQSRIF-XLIONFOSSA-N 1 3 341.499 3.698 50 0 EHAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967536 564034072 /nfs/dbraw/zinc/03/40/72/564034072.db2.gz VVRJVEBKDAHHAI-XHSVMWQWSA-N 1 3 338.442 3.984 50 0 EHAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967536 564034073 /nfs/dbraw/zinc/03/40/73/564034073.db2.gz VVRJVEBKDAHHAI-XHSVMWQWSA-N 1 3 338.442 3.984 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370272 564130341 /nfs/dbraw/zinc/13/03/41/564130341.db2.gz OMRORPZRNPOTMS-MOPGFXCFSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370272 564130342 /nfs/dbraw/zinc/13/03/42/564130342.db2.gz OMRORPZRNPOTMS-MOPGFXCFSA-N 1 3 345.556 3.583 50 0 EHAAHO c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000102536904 219208651 /nfs/dbraw/zinc/20/86/51/219208651.db2.gz PUYIZJXCRTZITQ-MRXNPFEDSA-N 1 3 342.512 3.514 50 0 EHAAHO c1ccc2c(c1)CCN(Cc1ccc(OC[C@@H]3CCC[NH2+]C3)cc1)C2 ZINC000299787712 258094319 /nfs/dbraw/zinc/09/43/19/258094319.db2.gz ZWQZQEDNLUOBCG-LJQANCHMSA-N 1 3 336.479 3.623 50 0 EHAAHO CC1(C)[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000252510675 564120066 /nfs/dbraw/zinc/12/00/66/564120066.db2.gz ZOAJJSZDEJSXCZ-JRGCBEDISA-N 1 3 342.527 3.659 50 0 EHAAHO Cc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(OCC[NH+](C)C)c1 ZINC000003738375 210073233 /nfs/dbraw/zinc/07/32/33/210073233.db2.gz UYYSCOZGLPIEKR-NRFANRHFSA-N 1 3 349.478 3.652 50 0 EHAAHO Cc1cc(CN2CCN(C)[C@H](C)C2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000216140590 241167655 /nfs/dbraw/zinc/16/76/55/241167655.db2.gz ZMIRHZXAXZAZEX-LJQANCHMSA-N 1 3 343.559 3.671 50 0 EHAAHO CN(Cc1ccncc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000011820456 211251879 /nfs/dbraw/zinc/25/18/79/211251879.db2.gz USMAPHIDLQNQEU-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[C@@H](C[NH3+])Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 ZINC000299760771 258078159 /nfs/dbraw/zinc/07/81/59/258078159.db2.gz XEBWPZVDNGXMAL-INIZCTEOSA-N 1 3 335.451 3.593 50 0 EHAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3ccco3)CC2)cc1 ZINC000012583146 563663805 /nfs/dbraw/zinc/66/38/05/563663805.db2.gz PCPSYXWINBLCQY-UHFFFAOYSA-N 1 3 342.483 3.675 50 0 EHAAHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968186 564143225 /nfs/dbraw/zinc/14/32/25/564143225.db2.gz CWKXMYHQGYPPCU-DZGCQCFKSA-N 1 3 342.936 3.943 50 0 EHAAHO c1ccc(CCN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000003683489 1037469687 /nfs/dbraw/zinc/46/96/87/1037469687.db2.gz GLUFGXXRIGUQGS-UHFFFAOYSA-N 1 3 349.522 3.516 50 0 EHAAHO COCC[N@H+](CC1CCN(Cc2ccccc2F)CC1)C1CCC1 ZINC000012468286 211389624 /nfs/dbraw/zinc/38/96/24/211389624.db2.gz UBCYDJKFSHREMT-UHFFFAOYSA-N 1 3 334.479 3.539 50 0 EHAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2F)CC1)C1CCC1 ZINC000012468286 211389627 /nfs/dbraw/zinc/38/96/27/211389627.db2.gz UBCYDJKFSHREMT-UHFFFAOYSA-N 1 3 334.479 3.539 50 0 EHAAHO C[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)c1cccc(Cl)c1 ZINC000187774731 534053861 /nfs/dbraw/zinc/05/38/61/534053861.db2.gz JLFBFWVSSDOCKK-INIZCTEOSA-N 1 3 349.950 3.592 50 0 EHAAHO [NH3+]CCc1cccc(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077454165 563969705 /nfs/dbraw/zinc/96/97/05/563969705.db2.gz CGQJZNDDLJLMSQ-LJQANCHMSA-N 1 3 338.430 3.540 50 0 EHAAHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2SC)CC1 ZINC000069738775 564171828 /nfs/dbraw/zinc/17/18/28/564171828.db2.gz CYKJNKNLEYVEJW-UHFFFAOYSA-N 1 3 349.544 3.543 50 0 EHAAHO c1coc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386703 211365676 /nfs/dbraw/zinc/36/56/76/211365676.db2.gz BTXGYOZPEIYODY-NRFANRHFSA-N 1 3 346.515 3.915 50 0 EHAAHO Cc1ccccc1-c1cccc(CNCCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000952974243 1137484558 /nfs/dbraw/zinc/48/45/58/1137484558.db2.gz VLYJNSQMBMTOLJ-OAQYLSRUSA-N 1 3 338.495 3.598 50 0 EHAAHO Cc1ccccc1-c1cccc(CNCCC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000952974243 1137484559 /nfs/dbraw/zinc/48/45/59/1137484559.db2.gz VLYJNSQMBMTOLJ-OAQYLSRUSA-N 1 3 338.495 3.598 50 0 EHAAHO COc1cccc([C@@H](C[C@@H]2CCCO2)NC2CC[NH+](C3CC3)CC2)c1 ZINC000095419582 218359605 /nfs/dbraw/zinc/35/96/05/218359605.db2.gz WCEAMROCDLHDPD-LEWJYISDSA-N 1 3 344.499 3.522 50 0 EHAAHO c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@H](c2ccncn2)C1 ZINC000102536899 219208759 /nfs/dbraw/zinc/20/87/59/219208759.db2.gz PUYIZJXCRTZITQ-INIZCTEOSA-N 1 3 342.512 3.514 50 0 EHAAHO CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(CN3CCCC3)s2)C1 ZINC000072166422 216055996 /nfs/dbraw/zinc/05/59/96/216055996.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 1 3 349.588 3.896 50 0 EHAAHO CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2ccc(CN3CCCC3)s2)C1 ZINC000072166422 216055999 /nfs/dbraw/zinc/05/59/99/216055999.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 1 3 349.588 3.896 50 0 EHAAHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cnccn1 ZINC000095422118 218364110 /nfs/dbraw/zinc/36/41/10/218364110.db2.gz PEVJKPQACKNOBH-HNNXBMFYSA-N 1 3 344.890 3.693 50 0 EHAAHO Cc1cc(NCC2(N3CCOCC3)CCCCC2)c2ccccc2[nH+]1 ZINC000089583150 564092967 /nfs/dbraw/zinc/09/29/67/564092967.db2.gz ZKWODPPXCUWIIP-UHFFFAOYSA-N 1 3 339.483 3.990 50 0 EHAAHO c1cn(-c2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2)cn1 ZINC000058165459 564157888 /nfs/dbraw/zinc/15/78/88/564157888.db2.gz UNOWLLSYENJEQR-UHFFFAOYSA-N 1 3 346.478 3.627 50 0 EHAAHO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000192444058 1137455814 /nfs/dbraw/zinc/45/58/14/1137455814.db2.gz ZPCUBEPXNRIJES-LJQANCHMSA-N 1 3 342.527 3.939 50 0 EHAAHO c1coc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386704 211365181 /nfs/dbraw/zinc/36/51/81/211365181.db2.gz BTXGYOZPEIYODY-OAQYLSRUSA-N 1 3 346.515 3.915 50 0 EHAAHO C[N@@H+](Cc1ccncc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000015073771 563775969 /nfs/dbraw/zinc/77/59/69/563775969.db2.gz NNPFGBSBCSWLFW-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[N@H+](Cc1ccncc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000015073771 563775972 /nfs/dbraw/zinc/77/59/72/563775972.db2.gz NNPFGBSBCSWLFW-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232113 563970765 /nfs/dbraw/zinc/97/07/65/563970765.db2.gz XGEQBBXZGMUVCP-RTBURBONSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232113 563970766 /nfs/dbraw/zinc/97/07/66/563970766.db2.gz XGEQBBXZGMUVCP-RTBURBONSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000012530427 564058228 /nfs/dbraw/zinc/05/82/28/564058228.db2.gz LTZMNEAMXIVCKZ-UHFFFAOYSA-N 1 3 334.467 3.737 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370852 564130367 /nfs/dbraw/zinc/13/03/67/564130367.db2.gz XGEQBBXZGMUVCP-MOPGFXCFSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370852 564130368 /nfs/dbraw/zinc/13/03/68/564130368.db2.gz XGEQBBXZGMUVCP-MOPGFXCFSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1cc(CN2CCCC2)cc(Oc2ccc3c(c2)C[C@@H](C[NH3+])O3)c1 ZINC000067843112 215228759 /nfs/dbraw/zinc/22/87/59/215228759.db2.gz VITANHJBKHSGRH-FQEVSTJZSA-N 1 3 338.451 3.645 50 0 EHAAHO [NH3+]Cc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000035287353 213018687 /nfs/dbraw/zinc/01/86/87/213018687.db2.gz VHKZBAJAJASIBP-UHFFFAOYSA-N 1 3 330.859 3.842 50 0 EHAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2ccoc2)CC1 ZINC000012589834 563664197 /nfs/dbraw/zinc/66/41/97/563664197.db2.gz WURQFBDLWPWUHR-UHFFFAOYSA-N 1 3 342.483 3.675 50 0 EHAAHO O=[P@](CCN1CCCCC1)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000003145262 564155481 /nfs/dbraw/zinc/15/54/81/564155481.db2.gz JIVQRZGBIMXTRV-UHFFFAOYSA-N 1 3 348.471 3.647 50 0 EHAAHO O=[P@@](CCN1CCCCC1)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000003145262 564155482 /nfs/dbraw/zinc/15/54/82/564155482.db2.gz JIVQRZGBIMXTRV-UHFFFAOYSA-N 1 3 348.471 3.647 50 0 EHAAHO COc1ccc(C[N@H+](C)C2CCSCC2)cc1CN1CCCC1 ZINC000097413268 219022820 /nfs/dbraw/zinc/02/28/20/219022820.db2.gz XGEIKAMJIFHZOF-UHFFFAOYSA-N 1 3 334.529 3.618 50 0 EHAAHO COc1ccc(C[N@@H+](C)C2CCSCC2)cc1CN1CCCC1 ZINC000097413268 219022824 /nfs/dbraw/zinc/02/28/24/219022824.db2.gz XGEIKAMJIFHZOF-UHFFFAOYSA-N 1 3 334.529 3.618 50 0 EHAAHO CN1CCC(Oc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000284139438 563963213 /nfs/dbraw/zinc/96/32/13/563963213.db2.gz UYFMLQJYWNRDFK-UHFFFAOYSA-N 1 3 349.478 3.931 50 0 EHAAHO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000032558385 563913921 /nfs/dbraw/zinc/91/39/21/563913921.db2.gz KPKMNZWSGBRCQZ-GOSISDBHSA-N 1 3 326.484 3.922 50 0 EHAAHO COc1ccc(/C=C/CN2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000952965219 1137483895 /nfs/dbraw/zinc/48/38/95/1137483895.db2.gz SPCKUDICGJXLEM-HWKANZROSA-N 1 3 337.467 3.624 50 0 EHAAHO C[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)c1cccc(Cl)c1 ZINC000187774750 236296977 /nfs/dbraw/zinc/29/69/77/236296977.db2.gz JLFBFWVSSDOCKK-MRXNPFEDSA-N 1 3 349.950 3.592 50 0 EHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cccc(O)c3)CC2)o1 ZINC000012076405 211287063 /nfs/dbraw/zinc/28/70/63/211287063.db2.gz PWBAJAGIRSBSJO-UHFFFAOYSA-N 1 3 328.456 3.638 50 0 EHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cccc(O)c3)CC2)o1 ZINC000012076405 211287068 /nfs/dbraw/zinc/28/70/68/211287068.db2.gz PWBAJAGIRSBSJO-UHFFFAOYSA-N 1 3 328.456 3.638 50 0 EHAAHO c1cnc2c(c1)cccc2C[N@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2 ZINC000055107548 214274000 /nfs/dbraw/zinc/27/40/00/214274000.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 1 3 335.495 3.933 50 0 EHAAHO c1cnc2c(c1)cccc2C[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2 ZINC000055107548 214274002 /nfs/dbraw/zinc/27/40/02/214274002.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 1 3 335.495 3.933 50 0 EHAAHO Cc1cc(N2CCCN(Cc3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000072131910 216021090 /nfs/dbraw/zinc/02/10/90/216021090.db2.gz ZBTVSFFHOYFIJK-UHFFFAOYSA-N 1 3 347.409 3.704 50 0 EHAAHO c1sc(C[NH+]2CCC3(CCOCC3)CC2)cc1CN1CCCC1 ZINC000072150159 216038156 /nfs/dbraw/zinc/03/81/56/216038156.db2.gz ANCURUXORORQPU-UHFFFAOYSA-N 1 3 334.529 3.737 50 0 EHAAHO C[C@@H](C1CCN(Cc2cc(CN(C)C)cs2)CC1)[NH+]1CCCC1 ZINC000072436388 216230992 /nfs/dbraw/zinc/23/09/92/216230992.db2.gz FMJGRDQUEISZDC-INIZCTEOSA-N 1 3 335.561 3.506 50 0 EHAAHO c1cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)sc1CN1CCCC1 ZINC000215778780 241146048 /nfs/dbraw/zinc/14/60/48/241146048.db2.gz FDPQLIZBNXCXDK-GOSISDBHSA-N 1 3 347.572 3.794 50 0 EHAAHO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250433 /nfs/dbraw/zinc/25/04/33/211250433.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 1 3 344.524 3.836 50 0 EHAAHO COCC[N@H+]1CCC[C@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250437 /nfs/dbraw/zinc/25/04/37/211250437.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 1 3 344.524 3.836 50 0 EHAAHO C[C@@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000706 534055532 /nfs/dbraw/zinc/05/55/32/534055532.db2.gz DURYVBLVAXQESN-HOTGVXAUSA-N 1 3 336.907 3.534 50 0 EHAAHO CC(C)[N@H+](C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012443777 211384173 /nfs/dbraw/zinc/38/41/73/211384173.db2.gz VCTVGINVQRVCKM-HXUWFJFHSA-N 1 3 348.506 3.927 50 0 EHAAHO CC(C)[N@@H+](C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012443777 211384176 /nfs/dbraw/zinc/38/41/76/211384176.db2.gz VCTVGINVQRVCKM-HXUWFJFHSA-N 1 3 348.506 3.927 50 0 EHAAHO Cc1cccc(Cl)c1OCC[NH2+]Cc1cccc(CN(C)C)c1 ZINC000032500669 563913815 /nfs/dbraw/zinc/91/38/15/563913815.db2.gz WSRQICXKYNYYJS-UHFFFAOYSA-N 1 3 332.875 3.879 50 0 EHAAHO CN(C)Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 ZINC000095385994 218317720 /nfs/dbraw/zinc/31/77/20/218317720.db2.gz GDAHNOZPUYEENF-PKOBYXMFSA-N 1 3 347.572 3.506 50 0 EHAAHO CN(C)Cc1csc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 ZINC000095385994 218317722 /nfs/dbraw/zinc/31/77/22/218317722.db2.gz GDAHNOZPUYEENF-PKOBYXMFSA-N 1 3 347.572 3.506 50 0 EHAAHO CC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000095423608 218366006 /nfs/dbraw/zinc/36/60/06/218366006.db2.gz VVKDJDYKNINAND-QFIPXVFZSA-N 1 3 338.495 3.884 50 0 EHAAHO CC[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000095423608 218366007 /nfs/dbraw/zinc/36/60/07/218366007.db2.gz VVKDJDYKNINAND-QFIPXVFZSA-N 1 3 338.495 3.884 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232082 563970727 /nfs/dbraw/zinc/97/07/27/563970727.db2.gz OMRORPZRNPOTMS-RTBURBONSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232082 563970728 /nfs/dbraw/zinc/97/07/28/563970728.db2.gz OMRORPZRNPOTMS-RTBURBONSA-N 1 3 345.556 3.583 50 0 EHAAHO COc1ccc([C@H](C)NCc2cccnc2)cc1C[NH+]1CCCC1 ZINC000089904656 564114955 /nfs/dbraw/zinc/11/49/55/564114955.db2.gz RHUBIRULNOXFEZ-INIZCTEOSA-N 1 3 325.456 3.537 50 0 EHAAHO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000096162551 563979880 /nfs/dbraw/zinc/97/98/80/563979880.db2.gz QDFZILIUTXFHMB-NRFANRHFSA-N 1 3 335.495 3.783 50 0 EHAAHO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000096162551 563979881 /nfs/dbraw/zinc/97/98/81/563979881.db2.gz QDFZILIUTXFHMB-NRFANRHFSA-N 1 3 335.495 3.783 50 0 EHAAHO C[C@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnn(C)c1 ZINC000089913542 564115180 /nfs/dbraw/zinc/11/51/80/564115180.db2.gz MCVGKBIEQZFCLB-KRWDZBQOSA-N 1 3 348.494 4.000 50 0 EHAAHO Cc1cc(C)n(CCC[N@@H+](C)Cc2cc(CN3CCCC3)cs2)n1 ZINC000216353106 241186834 /nfs/dbraw/zinc/18/68/34/241186834.db2.gz MYKSFQQTPXLLPH-UHFFFAOYSA-N 1 3 346.544 3.679 50 0 EHAAHO Cc1cc(C)n(CCC[N@H+](C)Cc2cc(CN3CCCC3)cs2)n1 ZINC000216353106 241186840 /nfs/dbraw/zinc/18/68/40/241186840.db2.gz MYKSFQQTPXLLPH-UHFFFAOYSA-N 1 3 346.544 3.679 50 0 EHAAHO CN(CCc1ccccn1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216359831 241186955 /nfs/dbraw/zinc/18/69/55/241186955.db2.gz URDUUVBWLPORNU-UHFFFAOYSA-N 1 3 329.513 3.804 50 0 EHAAHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000195541186 564123630 /nfs/dbraw/zinc/12/36/30/564123630.db2.gz BSDGIYBDHXKABB-QXAKKESOSA-N 1 3 346.515 3.768 50 0 EHAAHO C[NH+]1CCC(N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000354973012 1127215915 /nfs/dbraw/zinc/21/59/15/1127215915.db2.gz VXEAFSPENHNAEL-IBGZPJMESA-N 1 3 329.875 3.703 50 0 EHAAHO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000097638001 219043717 /nfs/dbraw/zinc/04/37/17/219043717.db2.gz XMOBPLJGQQVCJQ-MRXNPFEDSA-N 1 3 344.528 3.587 50 0 EHAAHO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000097638001 219043720 /nfs/dbraw/zinc/04/37/20/219043720.db2.gz XMOBPLJGQQVCJQ-MRXNPFEDSA-N 1 3 344.528 3.587 50 0 EHAAHO C[N@@H+](Cc1cccnc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012434564 211380061 /nfs/dbraw/zinc/38/00/61/211380061.db2.gz JKJCZSNGQNKYLG-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[N@H+](Cc1cccnc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012434564 211380065 /nfs/dbraw/zinc/38/00/65/211380065.db2.gz JKJCZSNGQNKYLG-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO CCCCC[C@@H]1C[C@H](NCCC[NH+](C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163989 563996537 /nfs/dbraw/zinc/99/65/37/563996537.db2.gz JRFXBJKUUCWENF-QRVBRYPASA-N 1 3 338.536 3.622 50 0 EHAAHO C[C@H](C1CCN(Cc2cc(CN(C)C)cs2)CC1)[NH+]1CCCC1 ZINC000072436390 216230690 /nfs/dbraw/zinc/23/06/90/216230690.db2.gz FMJGRDQUEISZDC-MRXNPFEDSA-N 1 3 335.561 3.506 50 0 EHAAHO O[C@H]1C[C@@H]([C@@H]([NH2+]C2CCN(C3CCCC3)CC2)c2cccs2)C1 ZINC000244641288 243049203 /nfs/dbraw/zinc/04/92/03/243049203.db2.gz GMVZTGQPBDGPHH-DKSSEZFCSA-N 1 3 334.529 3.557 50 0 EHAAHO CCC(CC)(CNC(=O)Nc1cccc(CN2CCCC2)c1)[NH+](C)C ZINC000058305297 563942072 /nfs/dbraw/zinc/94/20/72/563942072.db2.gz MQLCNSILWHXDLJ-UHFFFAOYSA-N 1 3 346.519 3.524 50 0 EHAAHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cnccn1 ZINC000095422119 218364518 /nfs/dbraw/zinc/36/45/18/218364518.db2.gz PEVJKPQACKNOBH-OAHLLOKOSA-N 1 3 344.890 3.693 50 0 EHAAHO CCCCC[C@@H]1C[C@@H](NCCC[NH+](C)C)C=C(C)[C@H]1C(=O)OCC ZINC000245310677 258000371 /nfs/dbraw/zinc/00/03/71/258000371.db2.gz JRFXBJKUUCWENF-CEXWTWQISA-N 1 3 338.536 3.622 50 0 EHAAHO C[C@H](C[NH3+])Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 ZINC000299760775 258077903 /nfs/dbraw/zinc/07/79/03/258077903.db2.gz XEBWPZVDNGXMAL-MRXNPFEDSA-N 1 3 335.451 3.593 50 0 EHAAHO Cc1nc2ccccc2nc1CN1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072454105 216241020 /nfs/dbraw/zinc/24/10/20/216241020.db2.gz MEVDMBXCXRFPGS-QGZVFWFLSA-N 1 3 338.499 3.635 50 0 EHAAHO C[C@@H](CNC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000756 534054948 /nfs/dbraw/zinc/05/49/48/534054948.db2.gz DURYVBLVAXQESN-JKSUJKDBSA-N 1 3 336.907 3.534 50 0 EHAAHO COCc1cc([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)ccc1OC ZINC000096479045 564148528 /nfs/dbraw/zinc/14/85/28/564148528.db2.gz CKDZOCVNJNIILK-INIZCTEOSA-N 1 3 346.515 3.899 50 0 EHAAHO c1cnc2c(c1)cccc2C[N@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2 ZINC000055107546 214273697 /nfs/dbraw/zinc/27/36/97/214273697.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 1 3 335.495 3.933 50 0 EHAAHO c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2 ZINC000055107546 214273701 /nfs/dbraw/zinc/27/37/01/214273701.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 1 3 335.495 3.933 50 0 EHAAHO C[C@H](C1CCN(Cc2cccc(OC(F)F)c2)CC1)[NH+]1CCCC1 ZINC000072480587 216259976 /nfs/dbraw/zinc/25/99/76/216259976.db2.gz RQRYBVCNPKFVHW-OAHLLOKOSA-N 1 3 338.442 3.984 50 0 EHAAHO [NH3+]CCc1cccc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077454169 563969794 /nfs/dbraw/zinc/96/97/94/563969794.db2.gz CGQJZNDDLJLMSQ-IBGZPJMESA-N 1 3 338.430 3.540 50 0 EHAAHO Cc1cc(N2C[C@@H]3CCN(Cc4cc5ccccc5o4)[C@@H]3C2)cc[nH+]1 ZINC000082155924 563972745 /nfs/dbraw/zinc/97/27/45/563972745.db2.gz CDMGTVVLKUAQHJ-FXAWDEMLSA-N 1 3 333.435 3.847 50 0 EHAAHO CC(C)N1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000012533192 564058355 /nfs/dbraw/zinc/05/83/55/564058355.db2.gz XJFCNMZVHKKZRL-UHFFFAOYSA-N 1 3 348.494 3.988 50 0 EHAAHO Cc1ccccc1-c1cccc(CNCCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000952973768 1137484479 /nfs/dbraw/zinc/48/44/79/1137484479.db2.gz VLYJNSQMBMTOLJ-NRFANRHFSA-N 1 3 338.495 3.598 50 0 EHAAHO Cc1ccccc1-c1cccc(CNCCC[N@H+]2CCC[C@H](O)C2)c1 ZINC000952973768 1137484481 /nfs/dbraw/zinc/48/44/81/1137484481.db2.gz VLYJNSQMBMTOLJ-NRFANRHFSA-N 1 3 338.495 3.598 50 0 EHAAHO C[C@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000733 236379436 /nfs/dbraw/zinc/37/94/36/236379436.db2.gz DURYVBLVAXQESN-CVEARBPZSA-N 1 3 336.907 3.534 50 0 EHAAHO Cc1cc(N2CCCN(C/C=C/c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000216113819 241167778 /nfs/dbraw/zinc/16/77/78/241167778.db2.gz PQBAECMYOVQJMC-DUXPYHPUSA-N 1 3 325.431 3.755 50 0 EHAAHO Cc1ccc(-c2ccc(N3CCC([N@@H+]4CC[C@@H](CN)C4)CC3)cc2)cc1 ZINC000020207545 563858783 /nfs/dbraw/zinc/85/87/83/563858783.db2.gz JHFHGTCVKBWSEH-IBGZPJMESA-N 1 3 349.522 3.911 50 0 EHAAHO Cc1ccc(-c2ccc(N3CCC([N@H+]4CC[C@@H](CN)C4)CC3)cc2)cc1 ZINC000020207545 563858785 /nfs/dbraw/zinc/85/87/85/563858785.db2.gz JHFHGTCVKBWSEH-IBGZPJMESA-N 1 3 349.522 3.911 50 0 EHAAHO CCn1nc(C)c(CN2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000015069242 564053223 /nfs/dbraw/zinc/05/32/23/564053223.db2.gz KPHAEXZKMMCYLT-HXUWFJFHSA-N 1 3 346.563 3.710 50 0 EHAAHO Cc1cccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000095967201 564143047 /nfs/dbraw/zinc/14/30/47/564143047.db2.gz UJBZULNMUZYWDH-UHFFFAOYSA-N 1 3 326.459 3.931 50 0 EHAAHO CC(C)[N@H+](C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012443775 211384767 /nfs/dbraw/zinc/38/47/67/211384767.db2.gz VCTVGINVQRVCKM-FQEVSTJZSA-N 1 3 348.506 3.927 50 0 EHAAHO CC(C)[N@@H+](C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012443775 211384772 /nfs/dbraw/zinc/38/47/72/211384772.db2.gz VCTVGINVQRVCKM-FQEVSTJZSA-N 1 3 348.506 3.927 50 0 EHAAHO CN(Cc1ccccc1-n1cccn1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000063846518 563956128 /nfs/dbraw/zinc/95/61/28/563956128.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 1 3 338.499 3.569 50 0 EHAAHO CN(Cc1ccccc1-n1cccn1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000063846518 563956130 /nfs/dbraw/zinc/95/61/30/563956130.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 1 3 338.499 3.569 50 0 EHAAHO c1ccc(-c2ccc(N3CCC([NH2+]C4CCNCC4)CC3)cc2)cc1 ZINC000063845024 563956134 /nfs/dbraw/zinc/95/61/34/563956134.db2.gz ZYSRKLFDDHBPLW-UHFFFAOYSA-N 1 3 335.495 3.664 50 0 EHAAHO c1ccc(-c2ccc(N3CCC(NC4CC[NH2+]CC4)CC3)cc2)cc1 ZINC000063845024 563956135 /nfs/dbraw/zinc/95/61/35/563956135.db2.gz ZYSRKLFDDHBPLW-UHFFFAOYSA-N 1 3 335.495 3.664 50 0 EHAAHO COc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1CN1CCCCC1 ZINC000095984899 564143892 /nfs/dbraw/zinc/14/38/92/564143892.db2.gz GJPYWODIJCLEJJ-DZIBYMRMSA-N 1 3 346.515 3.635 50 0 EHAAHO C[C@@H]1CCCCN1C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000822409510 1130991754 /nfs/dbraw/zinc/99/17/54/1130991754.db2.gz BIJJDPQUBPNVJV-QGZVFWFLSA-N 1 3 347.572 3.793 50 0 EHAAHO C[C@@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnn(C)c1 ZINC000089913543 564115189 /nfs/dbraw/zinc/11/51/89/564115189.db2.gz MCVGKBIEQZFCLB-QGZVFWFLSA-N 1 3 348.494 4.000 50 0 EHAAHO CC(C)c1ccc(C2(O)CCC([NH2+]CC3=CCN(C)CC3)CC2)cc1 ZINC000253417336 564130825 /nfs/dbraw/zinc/13/08/25/564130825.db2.gz VGOSAKWTIWGWRE-UHFFFAOYSA-N 1 3 342.527 3.792 50 0 EHAAHO C[C@H]1CN(CC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000096008364 564144626 /nfs/dbraw/zinc/14/46/26/564144626.db2.gz YNCOOVKBGWLBSC-IRXDYDNUSA-N 1 3 336.545 3.502 50 0 EHAAHO COc1cc(C[NH+]2CCCCC2)c(OC)cc1CN1CCCCC1 ZINC000004772781 210275853 /nfs/dbraw/zinc/27/58/53/210275853.db2.gz VUUSCTXVGCJZKI-UHFFFAOYSA-N 1 3 332.488 3.676 50 0 EHAAHO CCCCC[C@@H]1C[C@H](NCCC[NH+](C)C)C=C(C)[C@H]1C(=O)OCC ZINC000245310678 258000406 /nfs/dbraw/zinc/00/04/06/258000406.db2.gz JRFXBJKUUCWENF-GUDVDZBRSA-N 1 3 338.536 3.622 50 0 EHAAHO CCCCC[C@@H]1C[C@@H](NCCC[NH+](C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163993 563996526 /nfs/dbraw/zinc/99/65/26/563996526.db2.gz JRFXBJKUUCWENF-QYZOEREBSA-N 1 3 338.536 3.622 50 0 EHAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967534 564034050 /nfs/dbraw/zinc/03/40/50/564034050.db2.gz VVRJVEBKDAHHAI-HLNSBACISA-N 1 3 338.442 3.984 50 0 EHAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967534 564034051 /nfs/dbraw/zinc/03/40/51/564034051.db2.gz VVRJVEBKDAHHAI-HLNSBACISA-N 1 3 338.442 3.984 50 0 EHAAHO COc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1CN1CCCCC1 ZINC000095984900 564143897 /nfs/dbraw/zinc/14/38/97/564143897.db2.gz GJPYWODIJCLEJJ-PBPGXSGUSA-N 1 3 346.515 3.635 50 0 EHAAHO [NH3+]CCc1cccc(CN2CCC[C@@H](COc3ccccc3F)C2)c1 ZINC000072411266 216204166 /nfs/dbraw/zinc/20/41/66/216204166.db2.gz RFEPKWBZRRUFPX-LJQANCHMSA-N 1 3 342.458 3.618 50 0 EHAAHO O[C@H]1C[C@@H]([C@H]([NH2+]C2CCN(C3CCCC3)CC2)c2cccs2)C1 ZINC000244641289 243050814 /nfs/dbraw/zinc/05/08/14/243050814.db2.gz GMVZTGQPBDGPHH-YJLNNSPDSA-N 1 3 334.529 3.557 50 0 EHAAHO CNCCC[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063857311 563956301 /nfs/dbraw/zinc/95/63/01/563956301.db2.gz BCYJJRYDMNVYKA-UHFFFAOYSA-N 1 3 341.474 3.661 50 0 EHAAHO C[NH2+]CCCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063857311 563956302 /nfs/dbraw/zinc/95/63/02/563956302.db2.gz BCYJJRYDMNVYKA-UHFFFAOYSA-N 1 3 341.474 3.661 50 0 EHAAHO Cn1ccnc1CCC[N@H+](C)Cc1ccc(CN2CCCCC2)s1 ZINC000216524066 241199610 /nfs/dbraw/zinc/19/96/10/241199610.db2.gz HNTHAXJPGGNYCM-UHFFFAOYSA-N 1 3 346.544 3.532 50 0 EHAAHO Cn1ccnc1CCC[N@@H+](C)Cc1ccc(CN2CCCCC2)s1 ZINC000216524066 241199616 /nfs/dbraw/zinc/19/96/16/241199616.db2.gz HNTHAXJPGGNYCM-UHFFFAOYSA-N 1 3 346.544 3.532 50 0 EHAAHO C[NH+](C)[C@H]1CCCCN(Cc2cc(CN3CCCCC3)cs2)C1 ZINC000082100203 563972270 /nfs/dbraw/zinc/97/22/70/563972270.db2.gz XMDTWLSOPNLSQQ-SFHVURJKSA-N 1 3 335.561 3.650 50 0 EHAAHO [NH3+]CCc1cccc(CN2CCC[C@H](COc3ccccc3F)C2)c1 ZINC000072411267 216204363 /nfs/dbraw/zinc/20/43/63/216204363.db2.gz RFEPKWBZRRUFPX-IBGZPJMESA-N 1 3 342.458 3.618 50 0 EHAAHO C[C@H](N[C@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421349 218363006 /nfs/dbraw/zinc/36/30/06/218363006.db2.gz YTWFEDATJQSRIF-FXAWDEMLSA-N 1 3 341.499 3.698 50 0 EHAAHO C[C@H](N[C@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421349 218363009 /nfs/dbraw/zinc/36/30/09/218363009.db2.gz YTWFEDATJQSRIF-FXAWDEMLSA-N 1 3 341.499 3.698 50 0 EHAAHO CN(CCC[NH+](C)C)[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060243 /nfs/dbraw/zinc/06/02/43/212060243.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 1 3 349.950 3.614 50 0 EHAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060246 /nfs/dbraw/zinc/06/02/46/212060246.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 1 3 349.950 3.614 50 0 EHAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060247 /nfs/dbraw/zinc/06/02/47/212060247.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 1 3 349.950 3.614 50 0 EHAAHO OCC1(C[NH+]2CCCC2)CCN(Cc2ccc3ccccc3c2)CC1 ZINC000223338857 564039616 /nfs/dbraw/zinc/03/96/16/564039616.db2.gz OUAGKTIWHKDTKE-UHFFFAOYSA-N 1 3 338.495 3.510 50 0 EHAAHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968188 564143182 /nfs/dbraw/zinc/14/31/82/564143182.db2.gz CWKXMYHQGYPPCU-UKRRQHHQSA-N 1 3 342.936 3.943 50 0 EHAAHO C[C@H](CNC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000780 236378725 /nfs/dbraw/zinc/37/87/25/236378725.db2.gz DURYVBLVAXQESN-HZPDHXFCSA-N 1 3 336.907 3.534 50 0 EHAAHO c1cc(CN2CCCC[C@H]2C[NH+]2CCCC2)sc1CN1CCCC1 ZINC000215778829 241146233 /nfs/dbraw/zinc/14/62/33/241146233.db2.gz FDPQLIZBNXCXDK-SFHVURJKSA-N 1 3 347.572 3.794 50 0 EHAAHO C[N@@H+](Cc1ccncc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012436026 211379203 /nfs/dbraw/zinc/37/92/03/211379203.db2.gz JEVNBGYTJYJECJ-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[N@H+](Cc1ccncc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012436026 211379208 /nfs/dbraw/zinc/37/92/08/211379208.db2.gz JEVNBGYTJYJECJ-UHFFFAOYSA-N 1 3 341.474 3.607 50 0 EHAAHO C[C@@H](N[C@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421350 218362864 /nfs/dbraw/zinc/36/28/64/218362864.db2.gz YTWFEDATJQSRIF-YLJYHZDGSA-N 1 3 341.499 3.698 50 0 EHAAHO C[C@@H](N[C@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421350 218362866 /nfs/dbraw/zinc/36/28/66/218362866.db2.gz YTWFEDATJQSRIF-YLJYHZDGSA-N 1 3 341.499 3.698 50 0 EHAAHO CC1(C)[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000252510672 564120080 /nfs/dbraw/zinc/12/00/80/564120080.db2.gz ZOAJJSZDEJSXCZ-DUXKGJEZSA-N 1 3 342.527 3.659 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370273 564130304 /nfs/dbraw/zinc/13/03/04/564130304.db2.gz OMRORPZRNPOTMS-OALUTQOASA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370273 564130305 /nfs/dbraw/zinc/13/03/05/564130305.db2.gz OMRORPZRNPOTMS-OALUTQOASA-N 1 3 345.556 3.583 50 0 EHAAHO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091624979 218033385 /nfs/dbraw/zinc/03/33/85/218033385.db2.gz SSVUMOKJOUVBTF-NRFANRHFSA-N 1 3 335.495 3.783 50 0 EHAAHO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091624979 218033386 /nfs/dbraw/zinc/03/33/86/218033386.db2.gz SSVUMOKJOUVBTF-NRFANRHFSA-N 1 3 335.495 3.783 50 0 EHAAHO COc1cccc([C@@H](C[C@H]2CCCO2)NC2CC[NH+](C3CC3)CC2)c1 ZINC000095419584 218359155 /nfs/dbraw/zinc/35/91/55/218359155.db2.gz WCEAMROCDLHDPD-NHCUHLMSSA-N 1 3 344.499 3.522 50 0 EHAAHO CN(CC[N@H+](C)C1CCN(C)CC1)C1c2ccccc2-c2ccccc21 ZINC000075106311 564080119 /nfs/dbraw/zinc/08/01/19/564080119.db2.gz JDHGXSUTMVMZKY-UHFFFAOYSA-N 1 3 349.522 3.714 50 0 EHAAHO CN(CC[N@@H+](C)C1CCN(C)CC1)C1c2ccccc2-c2ccccc21 ZINC000075106311 564080120 /nfs/dbraw/zinc/08/01/20/564080120.db2.gz JDHGXSUTMVMZKY-UHFFFAOYSA-N 1 3 349.522 3.714 50 0 EHAAHO Cc1nc2ccccc2nc1CN1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072454106 216241595 /nfs/dbraw/zinc/24/15/95/216241595.db2.gz MEVDMBXCXRFPGS-KRWDZBQOSA-N 1 3 338.499 3.635 50 0 EHAAHO CN(CCC[NH+](C)C)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060891 /nfs/dbraw/zinc/06/08/91/212060891.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 1 3 349.950 3.614 50 0 EHAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060894 /nfs/dbraw/zinc/06/08/94/212060894.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 1 3 349.950 3.614 50 0 EHAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060897 /nfs/dbraw/zinc/06/08/97/212060897.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 1 3 349.950 3.614 50 0 EHAAHO C[NH+](C)Cc1ccc([C@@H]2CCCN2Cc2cccc3nonc32)cc1 ZINC000216253054 536020151 /nfs/dbraw/zinc/02/01/51/536020151.db2.gz LLOGZNGXWNEXSM-IBGZPJMESA-N 1 3 336.439 3.622 50 0 EHAAHO CN(C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3nonc32)cc1 ZINC000216253054 536020157 /nfs/dbraw/zinc/02/01/57/536020157.db2.gz LLOGZNGXWNEXSM-IBGZPJMESA-N 1 3 336.439 3.622 50 0 EHAAHO CN(C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3nonc32)cc1 ZINC000216253054 536020159 /nfs/dbraw/zinc/02/01/59/536020159.db2.gz LLOGZNGXWNEXSM-IBGZPJMESA-N 1 3 336.439 3.622 50 0 EHAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135706 563885077 /nfs/dbraw/zinc/88/50/77/563885077.db2.gz VVRJVEBKDAHHAI-COCCGSRQSA-N 1 3 338.442 3.984 50 0 EHAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135706 563885081 /nfs/dbraw/zinc/88/50/81/563885081.db2.gz VVRJVEBKDAHHAI-COCCGSRQSA-N 1 3 338.442 3.984 50 0 EHAAHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641670 564013504 /nfs/dbraw/zinc/01/35/04/564013504.db2.gz GLMGOLARIGOMTN-YWZLYKJASA-N 1 3 344.886 3.757 50 0 EHAAHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641670 564013505 /nfs/dbraw/zinc/01/35/05/564013505.db2.gz GLMGOLARIGOMTN-YWZLYKJASA-N 1 3 344.886 3.757 50 0 EHAAHO C[C@@H](C1CCN(Cc2cccc(OC(F)F)c2)CC1)[NH+]1CCCC1 ZINC000072480586 216260359 /nfs/dbraw/zinc/26/03/59/216260359.db2.gz RQRYBVCNPKFVHW-HNNXBMFYSA-N 1 3 338.442 3.984 50 0 EHAAHO C[NH+]1CCC(C2CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)CC1 ZINC000072148833 216036201 /nfs/dbraw/zinc/03/62/01/216036201.db2.gz KIBOTGCPMOYAKU-UHFFFAOYSA-N 1 3 344.547 3.696 50 0 EHAAHO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091894355 218084354 /nfs/dbraw/zinc/08/43/54/218084354.db2.gz AYILHWODKSIFLH-HXUWFJFHSA-N 1 3 335.495 3.783 50 0 EHAAHO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091894355 218084358 /nfs/dbraw/zinc/08/43/58/218084358.db2.gz AYILHWODKSIFLH-HXUWFJFHSA-N 1 3 335.495 3.783 50 0 EHAAHO COc1cccc([C@H](C[C@H]2CCCO2)NC2CC[NH+](C3CC3)CC2)c1 ZINC000095419585 218359456 /nfs/dbraw/zinc/35/94/56/218359456.db2.gz WCEAMROCDLHDPD-RTWAWAEBSA-N 1 3 344.499 3.522 50 0 EHAAHO C[C@H](N[C@@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421347 218363028 /nfs/dbraw/zinc/36/30/28/218363028.db2.gz YTWFEDATJQSRIF-PXNSSMCTSA-N 1 3 341.499 3.698 50 0 EHAAHO C[C@H](N[C@@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1)c1ccco1 ZINC000095421347 218363033 /nfs/dbraw/zinc/36/30/33/218363033.db2.gz YTWFEDATJQSRIF-PXNSSMCTSA-N 1 3 341.499 3.698 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232083 563970759 /nfs/dbraw/zinc/97/07/59/563970759.db2.gz OMRORPZRNPOTMS-RBUKOAKNSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232083 563970760 /nfs/dbraw/zinc/97/07/60/563970760.db2.gz OMRORPZRNPOTMS-RBUKOAKNSA-N 1 3 345.556 3.583 50 0 EHAAHO Cc1nccn1CC[C@@H](C)[NH2+]CCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000534653375 564061429 /nfs/dbraw/zinc/06/14/29/564061429.db2.gz GZMDVXMBADCMII-OAHLLOKOSA-N 1 3 339.487 3.686 50 0 EHAAHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952974949 1137484613 /nfs/dbraw/zinc/48/46/13/1137484613.db2.gz KUWJRQYPENNNPF-IBGZPJMESA-N 1 3 343.515 3.909 50 0 EHAAHO C[NH+](C)Cc1ccc([C@H]2CCCN2Cc2cccc3nonc32)cc1 ZINC000216253100 536020926 /nfs/dbraw/zinc/02/09/26/536020926.db2.gz LLOGZNGXWNEXSM-LJQANCHMSA-N 1 3 336.439 3.622 50 0 EHAAHO CN(C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3nonc32)cc1 ZINC000216253100 536020931 /nfs/dbraw/zinc/02/09/31/536020931.db2.gz LLOGZNGXWNEXSM-LJQANCHMSA-N 1 3 336.439 3.622 50 0 EHAAHO CN(C)Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc3nonc32)cc1 ZINC000216253100 536020934 /nfs/dbraw/zinc/02/09/34/536020934.db2.gz LLOGZNGXWNEXSM-LJQANCHMSA-N 1 3 336.439 3.622 50 0 EHAAHO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000032558384 563913925 /nfs/dbraw/zinc/91/39/25/563913925.db2.gz KPKMNZWSGBRCQZ-SFHVURJKSA-N 1 3 326.484 3.922 50 0 EHAAHO C[NH+]1CCC(N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000354973013 1127215881 /nfs/dbraw/zinc/21/58/81/1127215881.db2.gz VXEAFSPENHNAEL-LJQANCHMSA-N 1 3 329.875 3.703 50 0 EHAAHO Cc1nc(-c2c(O)cn(C3CC(C)(C)[NH2+]C(C)(C)C3)c2N)sc1C ZINC000102716594 219224475 /nfs/dbraw/zinc/22/44/75/219224475.db2.gz DUIXJNPAWMBOPI-UHFFFAOYSA-N 1 3 348.516 3.631 50 0 EHAAHO CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2ccc(CN3CCCC3)s2)C1 ZINC000072166421 216056118 /nfs/dbraw/zinc/05/61/18/216056118.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 1 3 349.588 3.896 50 0 EHAAHO CC(C)[N@H+]1CCC[C@H](CN(C)Cc2ccc(CN3CCCC3)s2)C1 ZINC000072166421 216056120 /nfs/dbraw/zinc/05/61/20/216056120.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 1 3 349.588 3.896 50 0 EHAAHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250914 /nfs/dbraw/zinc/25/09/14/211250914.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 1 3 344.524 3.836 50 0 EHAAHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250921 /nfs/dbraw/zinc/25/09/21/211250921.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 1 3 344.524 3.836 50 0 EHAAHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436697 564067096 /nfs/dbraw/zinc/06/70/96/564067096.db2.gz GLMGOLARIGOMTN-FOIQADDNSA-N 1 3 344.886 3.757 50 0 EHAAHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436697 564067097 /nfs/dbraw/zinc/06/70/97/564067097.db2.gz GLMGOLARIGOMTN-FOIQADDNSA-N 1 3 344.886 3.757 50 0 EHAAHO