smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C[C@@H](CC[C@H](C[NH+](C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002312761 855199129 /nfs/dbraw/zinc/19/91/29/855199129.db2.gz HIDLIUDTNBBUQM-FGZHOGPDSA-N 1 3 380.532 3.888 50 0 GHAAHO CN(C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000015856027 1021291963 /nfs/dbraw/zinc/29/19/63/1021291963.db2.gz HCSNPEGDIWIOBY-UHFFFAOYSA-N 1 3 385.596 3.869 50 0 GHAAHO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ccc4occc4c3)CC2)[C@H]1O ZINC000020863425 204742753 /nfs/dbraw/zinc/74/27/53/204742753.db2.gz YSECVTGBPVNGQF-PKTZIBPZSA-N 1 3 376.500 3.944 50 0 GHAAHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000058174143 205168050 /nfs/dbraw/zinc/16/80/50/205168050.db2.gz QRQJQLJLGUHPAB-NRFANRHFSA-N 1 3 386.584 3.557 50 0 GHAAHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000058174143 205168056 /nfs/dbraw/zinc/16/80/56/205168056.db2.gz QRQJQLJLGUHPAB-NRFANRHFSA-N 1 3 386.584 3.557 50 0 GHAAHO O[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000071821745 205299470 /nfs/dbraw/zinc/29/94/70/205299470.db2.gz MTZSIZRFIRWRFF-FQEVSTJZSA-N 1 3 382.495 3.909 50 0 GHAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000072157107 205313712 /nfs/dbraw/zinc/31/37/12/205313712.db2.gz TVPZGXHSGUIFCP-DEOSSOPVSA-N 1 3 382.548 3.587 50 0 GHAAHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000241326095 206125834 /nfs/dbraw/zinc/12/58/34/206125834.db2.gz LZGGPDVYWLRCKW-TYPHKJRUSA-N 1 3 385.556 3.518 50 0 GHAAHO CSc1ccc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014981170 570869892 /nfs/dbraw/zinc/86/98/92/570869892.db2.gz CLXOMWIFFMCZEL-LJQANCHMSA-N 1 3 389.609 3.610 50 0 GHAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012054423 204369599 /nfs/dbraw/zinc/36/95/99/204369599.db2.gz QPSGMONZNYBURB-UHFFFAOYSA-N 1 3 395.975 3.521 50 0 GHAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNC2(c3ccccc3)CC2)ccc1OC ZINC000012463526 204414123 /nfs/dbraw/zinc/41/41/23/204414123.db2.gz XPVRTZCQQORZBI-NRFANRHFSA-N 1 3 398.547 3.556 50 0 GHAAHO Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c2ccccc2n1 ZINC000071575368 205285346 /nfs/dbraw/zinc/28/53/46/205285346.db2.gz ZRTGJSWDYTWLLQ-SFHVURJKSA-N 1 3 392.547 3.503 50 0 GHAAHO Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c2ccccc2n1 ZINC000071575368 205285350 /nfs/dbraw/zinc/28/53/50/205285350.db2.gz ZRTGJSWDYTWLLQ-SFHVURJKSA-N 1 3 392.547 3.503 50 0 GHAAHO [NH3+]CCc1cccc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000072457836 205352660 /nfs/dbraw/zinc/35/26/60/205352660.db2.gz FYKWOOBPGVBERF-UHFFFAOYSA-N 1 3 378.438 3.690 50 0 GHAAHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 ZINC000426620016 529020842 /nfs/dbraw/zinc/02/08/42/529020842.db2.gz JPEXPSVVBTWGAQ-HXUWFJFHSA-N 1 3 386.584 3.544 50 0 GHAAHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 ZINC000426620016 529020850 /nfs/dbraw/zinc/02/08/50/529020850.db2.gz JPEXPSVVBTWGAQ-HXUWFJFHSA-N 1 3 386.584 3.544 50 0 GHAAHO COc1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc2c1OCO2 ZINC000012596899 570689527 /nfs/dbraw/zinc/68/95/27/570689527.db2.gz NUBVSMHAKMZUFR-UHFFFAOYSA-N 1 3 386.492 3.669 50 0 GHAAHO COc1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc2c1OCO2 ZINC000012596899 570689530 /nfs/dbraw/zinc/68/95/30/570689530.db2.gz NUBVSMHAKMZUFR-UHFFFAOYSA-N 1 3 386.492 3.669 50 0 GHAAHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300565 856488421 /nfs/dbraw/zinc/48/84/21/856488421.db2.gz FMHYRGAWSFMJQL-FQEVSTJZSA-N 1 3 381.564 3.725 50 0 GHAAHO c1csc(CN2CCCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000952988691 904674101 /nfs/dbraw/zinc/67/41/01/904674101.db2.gz UFLZMLAHTSBBSF-UHFFFAOYSA-N 1 3 383.605 3.963 50 0 GHAAHO CCn1ncc(CN(C)CC2CC[NH+](CCc3ccccc3OC)CC2)c1C ZINC000426408884 231217081 /nfs/dbraw/zinc/21/70/81/231217081.db2.gz CZJWDBRQIRWYPC-UHFFFAOYSA-N 1 3 384.568 3.607 50 0 GHAAHO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000067773722 205260654 /nfs/dbraw/zinc/26/06/54/205260654.db2.gz APSYTGPMAYFPCN-OAQYLSRUSA-N 1 3 391.559 3.795 50 0 GHAAHO Cc1cc(N2CCC3(CCCN3Cc3nccn3C)CC2)c2ccccc2[nH+]1 ZINC000072409500 136169568 /nfs/dbraw/zinc/16/95/68/136169568.db2.gz CXEGIQQLBNPCCF-UHFFFAOYSA-N 1 3 375.520 3.912 50 0 GHAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+](C)[C@@H](C)Cc2ccccn2)c1 ZINC000215095640 570285719 /nfs/dbraw/zinc/28/57/19/570285719.db2.gz KAMVGAOLBYIITO-FQEVSTJZSA-N 1 3 380.580 3.509 50 0 GHAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+](C)[C@@H](C)Cc2ccccn2)c1 ZINC000215095640 570285721 /nfs/dbraw/zinc/28/57/21/570285721.db2.gz KAMVGAOLBYIITO-FQEVSTJZSA-N 1 3 380.580 3.509 50 0 GHAAHO O=C(NCCC[NH+]1CCCCCC1)NCc1ccccc1CN1CCCCC1 ZINC000058167252 570714381 /nfs/dbraw/zinc/71/43/81/570714381.db2.gz DAUTUBPRUVGIOO-UHFFFAOYSA-N 1 3 386.584 3.738 50 0 GHAAHO CCc1nc(C)c(CN(C)CC2CC[NH+](CCc3ccccc3OC)CC2)[nH]1 ZINC000012199083 204380655 /nfs/dbraw/zinc/38/06/55/204380655.db2.gz CEFPVRDUEOKMQX-UHFFFAOYSA-N 1 3 384.568 3.676 50 0 GHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cccn3-c3ncccn3)CC2)o1 ZINC000012303113 204390290 /nfs/dbraw/zinc/39/02/90/204390290.db2.gz XBTPOGFEZRQEAQ-UHFFFAOYSA-N 1 3 379.508 3.513 50 0 GHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cccn3-c3ncccn3)CC2)o1 ZINC000012303113 204390296 /nfs/dbraw/zinc/39/02/96/204390296.db2.gz XBTPOGFEZRQEAQ-UHFFFAOYSA-N 1 3 379.508 3.513 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000012755481 570710102 /nfs/dbraw/zinc/71/01/02/570710102.db2.gz DKKRQCBAAVNXKC-UHFFFAOYSA-N 1 3 383.580 3.684 50 0 GHAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953860 570865804 /nfs/dbraw/zinc/86/58/04/570865804.db2.gz YEJQTXDLIRAUGJ-OJWZQRGQSA-N 1 3 387.612 3.512 50 0 GHAAHO CN(Cc1ccccc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012702499 570966448 /nfs/dbraw/zinc/96/64/48/570966448.db2.gz ZLOHYVPNVQFBBM-HSZRJFAPSA-N 1 3 382.548 3.934 50 0 GHAAHO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C4CC[NH2+]CC4)C3)cc2)c1 ZINC000095500061 571075988 /nfs/dbraw/zinc/07/59/88/571075988.db2.gz KHYZLTNGSKHAJS-HXUWFJFHSA-N 1 3 393.531 3.765 50 0 GHAAHO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C4CCNCC4)C3)cc2)c1 ZINC000095500061 571075991 /nfs/dbraw/zinc/07/59/91/571075991.db2.gz KHYZLTNGSKHAJS-HXUWFJFHSA-N 1 3 393.531 3.765 50 0 GHAAHO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](C4CCNCC4)C3)cc2)c1 ZINC000095500061 571075994 /nfs/dbraw/zinc/07/59/94/571075994.db2.gz KHYZLTNGSKHAJS-HXUWFJFHSA-N 1 3 393.531 3.765 50 0 GHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCCC1 ZINC000095501799 571076688 /nfs/dbraw/zinc/07/66/88/571076688.db2.gz JMZPUDKDJTYKIP-LJQANCHMSA-N 1 3 389.559 3.618 50 0 GHAAHO Cc1ccc(C)c(NC(=S)N(CCN(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000004669538 204062234 /nfs/dbraw/zinc/06/22/34/204062234.db2.gz NHTAXXMZPGCCBK-UHFFFAOYSA-N 1 3 376.614 3.737 50 0 GHAAHO Cc1ccc(NC(=S)N(CCN(C)C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000004712478 204067344 /nfs/dbraw/zinc/06/73/44/204067344.db2.gz YUHXDYCAHWNJTK-UHFFFAOYSA-N 1 3 380.577 3.567 50 0 GHAAHO O=C(NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372619 205393820 /nfs/dbraw/zinc/39/38/20/205393820.db2.gz AEJXMCBETMYRDC-SFHVURJKSA-N 1 3 376.520 3.535 50 0 GHAAHO O=C(NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372619 205393824 /nfs/dbraw/zinc/39/38/24/205393824.db2.gz AEJXMCBETMYRDC-SFHVURJKSA-N 1 3 376.520 3.535 50 0 GHAAHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000585081474 897056176 /nfs/dbraw/zinc/05/61/76/897056176.db2.gz VARRPDRYQBAFGQ-UHFFFAOYSA-N 1 3 381.568 3.630 50 0 GHAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000072157108 205312660 /nfs/dbraw/zinc/31/26/60/205312660.db2.gz TVPZGXHSGUIFCP-XMMPIXPASA-N 1 3 382.548 3.587 50 0 GHAAHO COCC[NH+]1CCC(CN(Cc2ccc(Cl)s2)C[C@@H]2CCCO2)CC1 ZINC000015077203 570879099 /nfs/dbraw/zinc/87/90/99/570879099.db2.gz TWLRRYLXJRLYEK-KRWDZBQOSA-N 1 3 386.989 3.741 50 0 GHAAHO COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C4CC[NH2+]CC4)C3)cc2)c1 ZINC000095500062 571075717 /nfs/dbraw/zinc/07/57/17/571075717.db2.gz KHYZLTNGSKHAJS-FQEVSTJZSA-N 1 3 393.531 3.765 50 0 GHAAHO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](C4CCNCC4)C3)cc2)c1 ZINC000095500062 571075719 /nfs/dbraw/zinc/07/57/19/571075719.db2.gz KHYZLTNGSKHAJS-FQEVSTJZSA-N 1 3 393.531 3.765 50 0 GHAAHO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](C4CCNCC4)C3)cc2)c1 ZINC000095500062 571075721 /nfs/dbraw/zinc/07/57/21/571075721.db2.gz KHYZLTNGSKHAJS-FQEVSTJZSA-N 1 3 393.531 3.765 50 0 GHAAHO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000011953166 204364547 /nfs/dbraw/zinc/36/45/47/204364547.db2.gz AVIQNLZGNWECIT-OAQYLSRUSA-N 1 3 390.568 3.733 50 0 GHAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cccc3ccccc31)CC[NH+](C)CC2 ZINC000072475044 222265765 /nfs/dbraw/zinc/26/57/65/222265765.db2.gz FTGJFAFKDZFDAE-JOCHJYFZSA-N 1 3 379.548 3.652 50 0 GHAAHO CN1CCC2(C[N@H+](CC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2)CC1 ZINC000257186706 859820119 /nfs/dbraw/zinc/82/01/19/859820119.db2.gz KRSRBSCXZVDOBX-QFIPXVFZSA-N 1 3 383.580 3.527 50 0 GHAAHO CN1CCC2(C[N@@H+](CC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2)CC1 ZINC000257186706 859820124 /nfs/dbraw/zinc/82/01/24/859820124.db2.gz KRSRBSCXZVDOBX-QFIPXVFZSA-N 1 3 383.580 3.527 50 0 GHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cnc(N4CCCC4)s3)CC2)o1 ZINC000019335576 919577498 /nfs/dbraw/zinc/57/74/98/919577498.db2.gz TZUYDWSYBYOPRN-UHFFFAOYSA-N 1 3 388.581 3.989 50 0 GHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cnc(N4CCCC4)s3)CC2)o1 ZINC000019335576 919577515 /nfs/dbraw/zinc/57/75/15/919577515.db2.gz TZUYDWSYBYOPRN-UHFFFAOYSA-N 1 3 388.581 3.989 50 0 GHAAHO C[N@@H+](Cc1ccc2nonc2c1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000011874144 204359805 /nfs/dbraw/zinc/35/98/05/204359805.db2.gz ZVBMRFMVBUECGY-UHFFFAOYSA-N 1 3 382.483 3.748 50 0 GHAAHO C[N@H+](Cc1ccc2nonc2c1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000011874144 204359808 /nfs/dbraw/zinc/35/98/08/204359808.db2.gz ZVBMRFMVBUECGY-UHFFFAOYSA-N 1 3 382.483 3.748 50 0 GHAAHO CCOc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OC ZINC000067453076 205247501 /nfs/dbraw/zinc/24/75/01/205247501.db2.gz HYUGKXWPCQCSBS-HZPDHXFCSA-N 1 3 384.948 3.726 50 0 GHAAHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000241326094 206125783 /nfs/dbraw/zinc/12/57/83/206125783.db2.gz LZGGPDVYWLRCKW-NRSPTQNISA-N 1 3 385.556 3.518 50 0 GHAAHO CN(C)C[C@H](O)COc1ccc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074923 221148190 /nfs/dbraw/zinc/14/81/90/221148190.db2.gz MWJMKKNHIBAEGP-NRXKURHUSA-N 1 3 386.580 3.636 50 0 GHAAHO CN(C)C[C@H](O)COc1ccc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074923 221148193 /nfs/dbraw/zinc/14/81/93/221148193.db2.gz MWJMKKNHIBAEGP-NRXKURHUSA-N 1 3 386.580 3.636 50 0 GHAAHO CN1CCC(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)CC1 ZINC000072459010 136171205 /nfs/dbraw/zinc/17/12/05/136171205.db2.gz USTPMLYJCIMOFO-UHFFFAOYSA-N 1 3 396.501 3.877 50 0 GHAAHO CN1CCC(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)CC1 ZINC000072459010 136171206 /nfs/dbraw/zinc/17/12/06/136171206.db2.gz USTPMLYJCIMOFO-UHFFFAOYSA-N 1 3 396.501 3.877 50 0 GHAAHO Fc1cccc(-c2nc(CN3CCC(CCC[NH+]4CCOCC4)CC3)co2)c1 ZINC000182989459 873088497 /nfs/dbraw/zinc/08/84/97/873088497.db2.gz RDFDFNXDYHSVKO-UHFFFAOYSA-N 1 3 387.499 3.805 50 0 GHAAHO [NH3+]CC[C@@H]1CN(C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCO1 ZINC000020363396 919634254 /nfs/dbraw/zinc/63/42/54/919634254.db2.gz BMUPDBYRWBIJJE-HSZRJFAPSA-N 1 3 383.511 3.511 50 0 GHAAHO C[N@H+](C[C@@H](O)COc1cccc(CN2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504353 571077875 /nfs/dbraw/zinc/07/78/75/571077875.db2.gz IQJLGRIRSUDJAV-OAQYLSRUSA-N 1 3 378.532 3.625 50 0 GHAAHO C[N@@H+](C[C@@H](O)COc1cccc(CN2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504353 571077876 /nfs/dbraw/zinc/07/78/76/571077876.db2.gz IQJLGRIRSUDJAV-OAQYLSRUSA-N 1 3 378.532 3.625 50 0 GHAAHO Cc1c(CN(C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)[nH]c2ccccc12 ZINC000023580575 836470935 /nfs/dbraw/zinc/47/09/35/836470935.db2.gz YVOSCZYLPVIBMD-PKTZIBPZSA-N 1 3 375.516 3.645 50 0 GHAAHO CN(Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490520 /nfs/dbraw/zinc/49/05/20/930490520.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 1 3 388.519 3.926 50 0 GHAAHO CN(Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490526 /nfs/dbraw/zinc/49/05/26/930490526.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 1 3 388.519 3.926 50 0 GHAAHO Cc1ccccc1CC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000012193854 204381392 /nfs/dbraw/zinc/38/13/92/204381392.db2.gz JZEOYUBKLXGSMM-HSZRJFAPSA-N 1 3 382.548 3.553 50 0 GHAAHO OCC[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCN1C1CCCC1 ZINC000023358160 836726800 /nfs/dbraw/zinc/72/68/00/836726800.db2.gz ILCPCKAVBLMKJW-FQEVSTJZSA-N 1 3 391.625 3.545 50 0 GHAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000179394742 858794007 /nfs/dbraw/zinc/79/40/07/858794007.db2.gz ZMRZTPKLUOAHKY-JOCHJYFZSA-N 1 3 396.510 3.565 50 0 GHAAHO CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000072167969 205314778 /nfs/dbraw/zinc/31/47/78/205314778.db2.gz YQDYQCPMTSDIMX-PKTZIBPZSA-N 1 3 377.532 3.504 50 0 GHAAHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000089904812 570919250 /nfs/dbraw/zinc/91/92/50/570919250.db2.gz ISDVVXGHEAQOSG-MAUKXSAKSA-N 1 3 385.474 3.747 50 0 GHAAHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000089904812 570919252 /nfs/dbraw/zinc/91/92/52/570919252.db2.gz ISDVVXGHEAQOSG-MAUKXSAKSA-N 1 3 385.474 3.747 50 0 GHAAHO Cc1nnc([C@@H]2C[N@@H+](CC(C)C)CC23CCN(CCOc2ccccc2)CC3)o1 ZINC000675015013 840883944 /nfs/dbraw/zinc/88/39/44/840883944.db2.gz RVEVEVXWDHHXEZ-NRFANRHFSA-N 1 3 398.551 3.594 50 0 GHAAHO Cc1nnc([C@@H]2C[N@H+](CC(C)C)CC23CCN(CCOc2ccccc2)CC3)o1 ZINC000675015013 840883954 /nfs/dbraw/zinc/88/39/54/840883954.db2.gz RVEVEVXWDHHXEZ-NRFANRHFSA-N 1 3 398.551 3.594 50 0 GHAAHO CN(C)Cc1ccccc1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299784584 206189526 /nfs/dbraw/zinc/18/95/26/206189526.db2.gz UJKMNVPLBMERID-VXNXHJTFSA-N 1 3 391.559 3.932 50 0 GHAAHO CN(C)Cc1ccccc1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299784584 206189528 /nfs/dbraw/zinc/18/95/28/206189528.db2.gz UJKMNVPLBMERID-VXNXHJTFSA-N 1 3 391.559 3.932 50 0 GHAAHO C[C@H](C1CCN(Cc2ccc(-c3ccccn3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000065406157 222128814 /nfs/dbraw/zinc/12/88/14/222128814.db2.gz COMVBQWZXFQKOB-HXUWFJFHSA-N 1 3 378.564 3.597 50 0 GHAAHO C[C@H](C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1)N1CCN(C)CC1 ZINC000065406157 222128818 /nfs/dbraw/zinc/12/88/18/222128818.db2.gz COMVBQWZXFQKOB-HXUWFJFHSA-N 1 3 378.564 3.597 50 0 GHAAHO O[C@]1(c2ccccc2)CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000216144410 570296243 /nfs/dbraw/zinc/29/62/43/570296243.db2.gz UUAHIIMVNKLIJT-XMMPIXPASA-N 1 3 380.532 3.645 50 0 GHAAHO CN(C(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000230237256 861750952 /nfs/dbraw/zinc/75/09/52/861750952.db2.gz XXWRUWGTPKPTDN-GMKZXUHWSA-N 1 3 391.559 3.930 50 0 GHAAHO COc1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc(OC)c1O ZINC000012583372 859437731 /nfs/dbraw/zinc/43/77/31/859437731.db2.gz XDFPWNQFSBPESS-UHFFFAOYSA-N 1 3 388.508 3.655 50 0 GHAAHO COc1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc(OC)c1O ZINC000012583372 859437740 /nfs/dbraw/zinc/43/77/40/859437740.db2.gz XDFPWNQFSBPESS-UHFFFAOYSA-N 1 3 388.508 3.655 50 0 GHAAHO O[C@H](COc1cccc(C[NH2+]C2CCCC2)c1)CN1CCc2ccccc2C1 ZINC000012760282 859562873 /nfs/dbraw/zinc/56/28/73/859562873.db2.gz FLMRMYVIIGZJSM-QHCPKHFHSA-N 1 3 380.532 3.517 50 0 GHAAHO O=C1CC[C@H]([NH+]2CCC(N3CCCCC3)CC2)CCN1CC1CCCCC1 ZINC000015002087 919353435 /nfs/dbraw/zinc/35/34/35/919353435.db2.gz ONHXGOTXQYQPSJ-NRFANRHFSA-N 1 3 375.601 3.898 50 0 GHAAHO CSc1ccc2c(c1)CCN([C@@H]1c3ccccc3C3(CC[NH2+]CC3)[C@H]1O)C2 ZINC000064166776 205188175 /nfs/dbraw/zinc/18/81/75/205188175.db2.gz XMBJBUCWBQRFJR-YADHBBJMSA-N 1 3 380.557 3.504 50 0 GHAAHO O[C@H](CN1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000071821744 205298267 /nfs/dbraw/zinc/29/82/67/205298267.db2.gz MTZSIZRFIRWRFF-HXUWFJFHSA-N 1 3 382.495 3.909 50 0 GHAAHO CC1(C)CC([NH2+]C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)CC(C)(C)N1 ZINC000063834714 136156483 /nfs/dbraw/zinc/15/64/83/136156483.db2.gz BVTNQJCRFTZHAP-UHFFFAOYSA-N 1 3 398.595 3.681 50 0 GHAAHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 ZINC000426620015 529010589 /nfs/dbraw/zinc/01/05/89/529010589.db2.gz JPEXPSVVBTWGAQ-FQEVSTJZSA-N 1 3 386.584 3.544 50 0 GHAAHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 ZINC000426620015 529010595 /nfs/dbraw/zinc/01/05/95/529010595.db2.gz JPEXPSVVBTWGAQ-FQEVSTJZSA-N 1 3 386.584 3.544 50 0 GHAAHO CN(C)CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000040115911 570553324 /nfs/dbraw/zinc/55/33/24/570553324.db2.gz FKDVWXIKTJTNJM-UHFFFAOYSA-N 1 3 395.547 3.543 50 0 GHAAHO O=C(CCC1CC[NH+](Cc2ccoc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012057726 570603088 /nfs/dbraw/zinc/60/30/88/570603088.db2.gz DJUXLJCNUBTWFP-QHCPKHFHSA-N 1 3 395.547 3.663 50 0 GHAAHO COc1cc(F)ccc1C[N@@H+]1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012307748 204392433 /nfs/dbraw/zinc/39/24/33/204392433.db2.gz FJQFSQVHKISKLZ-FQEVSTJZSA-N 1 3 383.511 3.963 50 0 GHAAHO COc1cc(F)ccc1C[N@H+]1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012307748 204392437 /nfs/dbraw/zinc/39/24/37/204392437.db2.gz FJQFSQVHKISKLZ-FQEVSTJZSA-N 1 3 383.511 3.963 50 0 GHAAHO Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c2ccccc2n1 ZINC000071575371 205286077 /nfs/dbraw/zinc/28/60/77/205286077.db2.gz ZRTGJSWDYTWLLQ-GOSISDBHSA-N 1 3 392.547 3.503 50 0 GHAAHO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c2ccccc2n1 ZINC000071575371 205286081 /nfs/dbraw/zinc/28/60/81/205286081.db2.gz ZRTGJSWDYTWLLQ-GOSISDBHSA-N 1 3 392.547 3.503 50 0 GHAAHO CC1(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000015065422 570875821 /nfs/dbraw/zinc/87/58/21/570875821.db2.gz MZPUQPMZRBQFTL-HXUWFJFHSA-N 1 3 375.601 3.756 50 0 GHAAHO CC1(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000015065422 570875823 /nfs/dbraw/zinc/87/58/23/570875823.db2.gz MZPUQPMZRBQFTL-HXUWFJFHSA-N 1 3 375.601 3.756 50 0 GHAAHO CN(Cc1ccccc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012702493 570966430 /nfs/dbraw/zinc/96/64/30/570966430.db2.gz ZLOHYVPNVQFBBM-QHCPKHFHSA-N 1 3 382.548 3.934 50 0 GHAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000012710196 570702081 /nfs/dbraw/zinc/70/20/81/570702081.db2.gz STUHIBFYWDTVLN-QHCPKHFHSA-N 1 3 382.548 3.981 50 0 GHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCCC1 ZINC000095501800 571076780 /nfs/dbraw/zinc/07/67/80/571076780.db2.gz JMZPUDKDJTYKIP-IBGZPJMESA-N 1 3 389.559 3.618 50 0 GHAAHO O=C(CCC1CC[NH+](C2CCNCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000095507932 571079896 /nfs/dbraw/zinc/07/98/96/571079896.db2.gz NSYGJPKGKZDMCF-UHFFFAOYSA-N 1 3 397.607 3.712 50 0 GHAAHO O=C(CCC1CCN(C2CC[NH2+]CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000095507932 571079901 /nfs/dbraw/zinc/07/99/01/571079901.db2.gz NSYGJPKGKZDMCF-UHFFFAOYSA-N 1 3 397.607 3.712 50 0 GHAAHO O=C(c1ccc[nH]1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095518885 571085560 /nfs/dbraw/zinc/08/55/60/571085560.db2.gz PGZNMKHQBCASBH-FQEVSTJZSA-N 1 3 386.584 3.597 50 0 GHAAHO O=C(c1ccc[nH]1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095518885 571085563 /nfs/dbraw/zinc/08/55/63/571085563.db2.gz PGZNMKHQBCASBH-FQEVSTJZSA-N 1 3 386.584 3.597 50 0 GHAAHO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1 ZINC000019741948 839830828 /nfs/dbraw/zinc/83/08/28/839830828.db2.gz FMYFFRSEYGPAEA-QHCPKHFHSA-N 1 3 381.564 3.883 50 0 GHAAHO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1 ZINC000019741948 839830837 /nfs/dbraw/zinc/83/08/37/839830837.db2.gz FMYFFRSEYGPAEA-QHCPKHFHSA-N 1 3 381.564 3.883 50 0 GHAAHO CN(C)C[C@H](CC[C@@H](C[NH+](C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002312760 855198909 /nfs/dbraw/zinc/19/89/09/855198909.db2.gz HIDLIUDTNBBUQM-VXKWHMMOSA-N 1 3 380.532 3.888 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC000020920758 207220277 /nfs/dbraw/zinc/22/02/77/207220277.db2.gz CHFPQOJYMMPMRG-HXUWFJFHSA-N 1 3 397.607 3.930 50 0 GHAAHO O[C@H](COc1ccc(C[NH2+]C2CCCC2)cc1)CN1CCc2ccccc2C1 ZINC000023145839 207270844 /nfs/dbraw/zinc/27/08/44/207270844.db2.gz ZQXFYNQSSRJUNK-QHCPKHFHSA-N 1 3 380.532 3.517 50 0 GHAAHO O=C(NC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372621 208089634 /nfs/dbraw/zinc/08/96/34/208089634.db2.gz AEJXMCBETMYRDC-GOSISDBHSA-N 1 3 376.520 3.535 50 0 GHAAHO O=C(NC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372621 208089641 /nfs/dbraw/zinc/08/96/41/208089641.db2.gz AEJXMCBETMYRDC-GOSISDBHSA-N 1 3 376.520 3.535 50 0 GHAAHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCCCC3)c2)C[C@@H]1c1ccccc1 ZINC000091411918 208115920 /nfs/dbraw/zinc/11/59/20/208115920.db2.gz OWQJZXHUHFABDB-PKTZIBPZSA-N 1 3 377.532 3.630 50 0 GHAAHO O[C@@]1(c2ccccc2)CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000216144368 570296265 /nfs/dbraw/zinc/29/62/65/570296265.db2.gz UUAHIIMVNKLIJT-DEOSSOPVSA-N 1 3 380.532 3.645 50 0 GHAAHO CN(Cc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)Cc1ccccc1C(F)(F)F ZINC000011753749 570580916 /nfs/dbraw/zinc/58/09/16/570580916.db2.gz NKOBIKYJICSBCM-SFHVURJKSA-N 1 3 396.453 3.639 50 0 GHAAHO CC(C)[NH+]1CCC(N2CCN(Cc3cccc4ccccc43)C[C@@H]2CCO)CC1 ZINC000020534942 207201479 /nfs/dbraw/zinc/20/14/79/207201479.db2.gz VTCPZZPZFUCXIJ-DEOSSOPVSA-N 1 3 395.591 3.581 50 0 GHAAHO O[C@@H](COc1ccc(C[NH2+]C2CCCC2)cc1)CN1CCc2ccccc2C1 ZINC000023145836 207269352 /nfs/dbraw/zinc/26/93/52/207269352.db2.gz ZQXFYNQSSRJUNK-HSZRJFAPSA-N 1 3 380.532 3.517 50 0 GHAAHO CN(Cc1cncnc1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095527661 208226556 /nfs/dbraw/zinc/22/65/56/208226556.db2.gz FOBNQFPHVPHSMA-UHFFFAOYSA-N 1 3 392.469 3.882 50 0 GHAAHO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000241961416 209022804 /nfs/dbraw/zinc/02/28/04/209022804.db2.gz USIISLNSXDPIEV-FQEVSTJZSA-N 1 3 381.564 3.912 50 0 GHAAHO COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012194001 570622838 /nfs/dbraw/zinc/62/28/38/570622838.db2.gz VVHJRYSTQJDXBE-QFIPXVFZSA-N 1 3 398.547 3.599 50 0 GHAAHO CC(C)[NH+]1CCC(N(CCN(C)C)C(=S)Nc2ccccc2Cl)CC1 ZINC000004712477 570858032 /nfs/dbraw/zinc/85/80/32/570858032.db2.gz CDNPSRLQUBQDDO-UHFFFAOYSA-N 1 3 383.005 3.773 50 0 GHAAHO C[N@@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@H]1c1ccccc1 ZINC000106920675 570969185 /nfs/dbraw/zinc/96/91/85/570969185.db2.gz QYGUSLVJRGZLOY-ZRCGQRJVSA-N 1 3 397.950 3.581 50 0 GHAAHO C[N@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@H]1c1ccccc1 ZINC000106920675 570969187 /nfs/dbraw/zinc/96/91/87/570969187.db2.gz QYGUSLVJRGZLOY-ZRCGQRJVSA-N 1 3 397.950 3.581 50 0 GHAAHO CCOc1cccc(CN(Cc2ccncc2)CC2CC[NH+](CCOC)CC2)c1 ZINC000011938011 206225802 /nfs/dbraw/zinc/22/58/02/206225802.db2.gz JMLMDDSUDDPAEV-UHFFFAOYSA-N 1 3 397.563 3.841 50 0 GHAAHO NCc1cn(CC2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)nn1 ZINC000023580748 207280234 /nfs/dbraw/zinc/28/02/34/207280234.db2.gz MXHOXYHHEVMSGR-UHFFFAOYSA-N 1 3 375.929 3.517 50 0 GHAAHO CCC(CC)NC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091679722 208133362 /nfs/dbraw/zinc/13/33/62/208133362.db2.gz DHWUSBUWEZQFTK-NRFANRHFSA-N 1 3 397.607 3.635 50 0 GHAAHO CC(=O)NC1CC[NH+](C[C@H](CN(C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138579 570951159 /nfs/dbraw/zinc/95/11/59/570951159.db2.gz HCPZFRNYIFWLBH-QHCPKHFHSA-N 1 3 379.548 3.503 50 0 GHAAHO CCCCN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014972983 207036737 /nfs/dbraw/zinc/03/67/37/207036737.db2.gz HBLRWHLMJMAOTO-QFIPXVFZSA-N 1 3 397.607 3.589 50 0 GHAAHO CC(C)(CN1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2)CN1CCOCC1 ZINC000012073931 207279034 /nfs/dbraw/zinc/27/90/34/207279034.db2.gz VOTKVPYXHZVXPM-DEOSSOPVSA-N 1 3 391.644 3.713 50 0 GHAAHO CC(C)(CN1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)CN1CCOCC1 ZINC000012073931 207279039 /nfs/dbraw/zinc/27/90/39/207279039.db2.gz VOTKVPYXHZVXPM-DEOSSOPVSA-N 1 3 391.644 3.713 50 0 GHAAHO COC(=O)c1ccc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc1 ZINC000011946256 570595442 /nfs/dbraw/zinc/59/54/42/570595442.db2.gz FIAAZJPXOLLSIC-UHFFFAOYSA-N 1 3 398.522 3.999 50 0 GHAAHO COC(=O)c1ccc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc1 ZINC000011946256 570595443 /nfs/dbraw/zinc/59/54/43/570595443.db2.gz FIAAZJPXOLLSIC-UHFFFAOYSA-N 1 3 398.522 3.999 50 0 GHAAHO CN(Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012593205 859447828 /nfs/dbraw/zinc/44/78/28/859447828.db2.gz AGVFMTXZWGYUMA-JOCHJYFZSA-N 1 3 386.511 3.683 50 0 GHAAHO CN(C)Cc1ccccc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000486960076 926483987 /nfs/dbraw/zinc/48/39/87/926483987.db2.gz UEEWHNPNOIKMPE-UHFFFAOYSA-N 1 3 380.536 3.522 50 0 GHAAHO CCn1cc(CN(C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c(C)n1 ZINC000426615584 231247095 /nfs/dbraw/zinc/24/70/95/231247095.db2.gz SMDQXYDWKQXGFE-UHFFFAOYSA-N 1 3 384.568 3.607 50 0 GHAAHO Cn1c(SCCN2CCCC2)nnc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000299798889 209091474 /nfs/dbraw/zinc/09/14/74/209091474.db2.gz UKUWDIBLRZWIQQ-IBGZPJMESA-N 1 3 391.629 3.763 50 0 GHAAHO Cn1c(SCCN2CCCC2)nnc1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000299798889 209091476 /nfs/dbraw/zinc/09/14/76/209091476.db2.gz UKUWDIBLRZWIQQ-IBGZPJMESA-N 1 3 391.629 3.763 50 0 GHAAHO CN(Cc1cccc(OCCN2CC[NH2+]CC2)c1)Cc1cccc2ccccc21 ZINC000299798381 209090321 /nfs/dbraw/zinc/09/03/21/209090321.db2.gz SSWOSZXQANICBT-UHFFFAOYSA-N 1 3 389.543 3.756 50 0 GHAAHO C[N@@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 ZINC000072304898 570516500 /nfs/dbraw/zinc/51/65/00/570516500.db2.gz QYGUSLVJRGZLOY-QTEQDKRBSA-N 1 3 397.950 3.581 50 0 GHAAHO C[N@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 ZINC000072304898 570516503 /nfs/dbraw/zinc/51/65/03/570516503.db2.gz QYGUSLVJRGZLOY-QTEQDKRBSA-N 1 3 397.950 3.581 50 0 GHAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C1CCSCC1 ZINC000012199262 570963520 /nfs/dbraw/zinc/96/35/20/570963520.db2.gz CCRPTZMKJFDKQS-UHFFFAOYSA-N 1 3 392.609 3.751 50 0 GHAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C1CCSCC1 ZINC000012199262 570963524 /nfs/dbraw/zinc/96/35/24/570963524.db2.gz CCRPTZMKJFDKQS-UHFFFAOYSA-N 1 3 392.609 3.751 50 0 GHAAHO O[C@@H](COc1cccc(C[NH2+]C2CCCCC2)c1)CN1CCc2ccccc2C1 ZINC000012437563 862366551 /nfs/dbraw/zinc/36/65/51/862366551.db2.gz TYTXRFZYZKRIJJ-XMMPIXPASA-N 1 3 394.559 3.907 50 0 GHAAHO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361170 207276288 /nfs/dbraw/zinc/27/62/88/207276288.db2.gz KABAHLIVUIANLA-RUZDIDTESA-N 1 3 392.591 3.685 50 0 GHAAHO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361170 207276291 /nfs/dbraw/zinc/27/62/91/207276291.db2.gz KABAHLIVUIANLA-RUZDIDTESA-N 1 3 392.591 3.685 50 0 GHAAHO Cc1ccc2c(N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)ccnc2c1C ZINC000095382579 136178722 /nfs/dbraw/zinc/17/87/22/136178722.db2.gz SNOGALCOFTWNOE-LJQANCHMSA-N 1 3 377.536 3.994 50 0 GHAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cnn(C(C)C)c3)CC2)cc1 ZINC000012457206 570669806 /nfs/dbraw/zinc/66/98/06/570669806.db2.gz AVUJOWKMIXEICA-UHFFFAOYSA-N 1 3 384.568 3.859 50 0 GHAAHO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1 ZINC000019741946 839831005 /nfs/dbraw/zinc/83/10/05/839831005.db2.gz FMYFFRSEYGPAEA-HSZRJFAPSA-N 1 3 381.564 3.883 50 0 GHAAHO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccco3)CC2)C1 ZINC000019741946 839831009 /nfs/dbraw/zinc/83/10/09/839831009.db2.gz FMYFFRSEYGPAEA-HSZRJFAPSA-N 1 3 381.564 3.883 50 0 GHAAHO O[C@@H](COc1cccc(C[NH2+]C2CCCC2)c1)CN1CCc2ccccc2C1 ZINC000012760276 859563087 /nfs/dbraw/zinc/56/30/87/859563087.db2.gz FLMRMYVIIGZJSM-HSZRJFAPSA-N 1 3 380.532 3.517 50 0 GHAAHO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc(OC)c(C)c2)CC1 ZINC000012318490 859896412 /nfs/dbraw/zinc/89/64/12/859896412.db2.gz IGWGJJBQTKXXJX-UHFFFAOYSA-N 1 3 397.563 3.759 50 0 GHAAHO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000014979578 207036267 /nfs/dbraw/zinc/03/62/67/207036267.db2.gz VVIUMCRPPKRXNM-HXUWFJFHSA-N 1 3 387.568 3.795 50 0 GHAAHO O=C(N[C@@H]1CCC[N@H+](C2CCCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000014979578 207036270 /nfs/dbraw/zinc/03/62/70/207036270.db2.gz VVIUMCRPPKRXNM-HXUWFJFHSA-N 1 3 387.568 3.795 50 0 GHAAHO CN(Cc1cncn1C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095524356 208223732 /nfs/dbraw/zinc/22/37/32/208223732.db2.gz DFPXZUVDLMYYQJ-UHFFFAOYSA-N 1 3 394.485 3.825 50 0 GHAAHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC000241326092 209019958 /nfs/dbraw/zinc/01/99/58/209019958.db2.gz LZGGPDVYWLRCKW-CEWLAPEOSA-N 1 3 385.556 3.518 50 0 GHAAHO Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)nc(N)n1 ZINC000095379010 136178635 /nfs/dbraw/zinc/17/86/35/136178635.db2.gz GXQGFZHNNNBSGU-LJQANCHMSA-N 1 3 377.536 3.606 50 0 GHAAHO Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)nc(N)n1 ZINC000095379010 136178636 /nfs/dbraw/zinc/17/86/36/136178636.db2.gz GXQGFZHNNNBSGU-LJQANCHMSA-N 1 3 377.536 3.606 50 0 GHAAHO CN(C(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000096004751 570936144 /nfs/dbraw/zinc/93/61/44/570936144.db2.gz XXWRUWGTPKPTDN-OEMFJLHTSA-N 1 3 391.559 3.930 50 0 GHAAHO CN(C(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000096004751 570936146 /nfs/dbraw/zinc/93/61/46/570936146.db2.gz XXWRUWGTPKPTDN-OEMFJLHTSA-N 1 3 391.559 3.930 50 0 GHAAHO CN(C(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000096004751 570936150 /nfs/dbraw/zinc/93/61/50/570936150.db2.gz XXWRUWGTPKPTDN-OEMFJLHTSA-N 1 3 391.559 3.930 50 0 GHAAHO CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CO)CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177571 838718798 /nfs/dbraw/zinc/71/87/98/838718798.db2.gz XEWOBNKPCRNHMM-UKILVPOCSA-N 1 3 394.559 3.790 50 0 GHAAHO CC(C)Oc1ccc(C[N@H+]2CC[C@]3(CO)CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177571 838718807 /nfs/dbraw/zinc/71/88/07/838718807.db2.gz XEWOBNKPCRNHMM-UKILVPOCSA-N 1 3 394.559 3.790 50 0 GHAAHO CCc1nc(C)c(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011664546 856873194 /nfs/dbraw/zinc/87/31/94/856873194.db2.gz ZOFLLMGZXFPVHO-NRFANRHFSA-N 1 3 388.600 3.916 50 0 GHAAHO O[C@@H](COc1ccc(C[NH2+]C2CCCCC2)cc1)CN1CCc2ccccc2C1 ZINC000011945357 858197824 /nfs/dbraw/zinc/19/78/24/858197824.db2.gz PNUVFOOWTKUGCG-XMMPIXPASA-N 1 3 394.559 3.907 50 0 GHAAHO COc1cc(C[N@H+](C)CC2CCN(CCc3ccccc3F)CC2)ccc1O ZINC000015073986 207043935 /nfs/dbraw/zinc/04/39/35/207043935.db2.gz LXQUMYLOSNUNTK-UHFFFAOYSA-N 1 3 386.511 3.926 50 0 GHAAHO COc1cc(C[N@@H+](C)CC2CCN(CCc3ccccc3F)CC2)ccc1O ZINC000015073986 207043938 /nfs/dbraw/zinc/04/39/38/207043938.db2.gz LXQUMYLOSNUNTK-UHFFFAOYSA-N 1 3 386.511 3.926 50 0 GHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccccc1 ZINC000095521311 208220771 /nfs/dbraw/zinc/22/07/71/208220771.db2.gz WEGYIEZTFRXBMH-HXUWFJFHSA-N 1 3 397.538 3.742 50 0 GHAAHO CN(C(=O)CC[C@@H]1CCCN(Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012432044 862338454 /nfs/dbraw/zinc/33/84/54/862338454.db2.gz ZKNLMOVPWUNOJC-SFHVURJKSA-N 1 3 391.987 3.885 50 0 GHAAHO O=C(c1ccncc1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574421 859427462 /nfs/dbraw/zinc/42/74/62/859427462.db2.gz NOMMQGUCGJFSLN-NRFANRHFSA-N 1 3 398.595 3.664 50 0 GHAAHO O=C(c1ccncc1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574421 859427470 /nfs/dbraw/zinc/42/74/70/859427470.db2.gz NOMMQGUCGJFSLN-NRFANRHFSA-N 1 3 398.595 3.664 50 0 GHAAHO c1ccc(CCCN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019790020 207160694 /nfs/dbraw/zinc/16/06/94/207160694.db2.gz INIISLKUGWXAQL-UHFFFAOYSA-N 1 3 377.576 3.901 50 0 GHAAHO Cc1ccsc1C[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000006452117 570425701 /nfs/dbraw/zinc/42/57/01/570425701.db2.gz CZGMUTYAZIIIMY-UHFFFAOYSA-N 1 3 399.604 3.859 50 0 GHAAHO CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 ZINC000012228275 570629084 /nfs/dbraw/zinc/62/90/84/570629084.db2.gz UIGIWLDVCLITRB-NRFANRHFSA-N 1 3 385.596 3.794 50 0 GHAAHO CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 ZINC000012228275 570629088 /nfs/dbraw/zinc/62/90/88/570629088.db2.gz UIGIWLDVCLITRB-NRFANRHFSA-N 1 3 385.596 3.794 50 0 GHAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012592678 570884116 /nfs/dbraw/zinc/88/41/16/570884116.db2.gz DRXWBTLUMCLSSF-OAQYLSRUSA-N 1 3 391.987 3.933 50 0 GHAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012592678 570884121 /nfs/dbraw/zinc/88/41/21/570884121.db2.gz DRXWBTLUMCLSSF-OAQYLSRUSA-N 1 3 391.987 3.933 50 0 GHAAHO CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012432045 862339315 /nfs/dbraw/zinc/33/93/15/862339315.db2.gz ZKNLMOVPWUNOJC-GOSISDBHSA-N 1 3 391.987 3.885 50 0 GHAAHO O=C(NCc1ccccc1)[C@H]1CCCN(C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015071472 207045281 /nfs/dbraw/zinc/04/52/81/207045281.db2.gz FUXOBWAKANHNQA-QFIPXVFZSA-N 1 3 383.580 3.669 50 0 GHAAHO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000015071472 207045286 /nfs/dbraw/zinc/04/52/86/207045286.db2.gz FUXOBWAKANHNQA-QFIPXVFZSA-N 1 3 383.580 3.669 50 0 GHAAHO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000015071472 207045290 /nfs/dbraw/zinc/04/52/90/207045290.db2.gz FUXOBWAKANHNQA-QFIPXVFZSA-N 1 3 383.580 3.669 50 0 GHAAHO O=C(c1cccnc1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095517159 208215552 /nfs/dbraw/zinc/21/55/52/208215552.db2.gz NCYYAGQPBFIGIJ-NRFANRHFSA-N 1 3 398.595 3.664 50 0 GHAAHO O=C(c1cccnc1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095517159 208215556 /nfs/dbraw/zinc/21/55/56/208215556.db2.gz NCYYAGQPBFIGIJ-NRFANRHFSA-N 1 3 398.595 3.664 50 0 GHAAHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C[C@H]3CO)CC2)s1 ZINC000097425018 208354446 /nfs/dbraw/zinc/35/44/46/208354446.db2.gz FORISTLTXGKYOG-FQEVSTJZSA-N 1 3 385.577 3.548 50 0 GHAAHO CC(C)N1CCC([N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)CC1 ZINC000011662284 570264115 /nfs/dbraw/zinc/26/41/15/570264115.db2.gz AOVRGTAPUMGCQC-UHFFFAOYSA-N 1 3 375.576 3.885 50 0 GHAAHO CC(C)N1CCC([N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)CC1 ZINC000011662284 570264120 /nfs/dbraw/zinc/26/41/20/570264120.db2.gz AOVRGTAPUMGCQC-UHFFFAOYSA-N 1 3 375.576 3.885 50 0 GHAAHO O[C@H](COc1ccc(C[NH2+]CCCc2ccccc2)cc1)CN1CCCCC1 ZINC000012440078 570663912 /nfs/dbraw/zinc/66/39/12/570663912.db2.gz HWSDKHXOHRQBFX-QHCPKHFHSA-N 1 3 382.548 3.635 50 0 GHAAHO COCC[N@@H+](Cc1cccc(O)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012577892 570683028 /nfs/dbraw/zinc/68/30/28/570683028.db2.gz PCHNCAIYTJIGBL-UHFFFAOYSA-N 1 3 386.511 3.892 50 0 GHAAHO COCC[N@H+](Cc1cccc(O)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012577892 570683031 /nfs/dbraw/zinc/68/30/31/570683031.db2.gz PCHNCAIYTJIGBL-UHFFFAOYSA-N 1 3 386.511 3.892 50 0 GHAAHO O=C(C[NH+]1CCCCCC1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012022697 858539519 /nfs/dbraw/zinc/53/95/19/858539519.db2.gz RMBYCTBPJJWXIH-HSZRJFAPSA-N 1 3 387.543 3.516 50 0 GHAAHO CN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc(OCC[NH+](C)C)c1 ZINC000585084640 897174803 /nfs/dbraw/zinc/17/48/03/897174803.db2.gz YHTHINCLWFCBIL-UHFFFAOYSA-N 1 3 382.483 3.788 50 0 GHAAHO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC000001549377 206386021 /nfs/dbraw/zinc/38/60/21/206386021.db2.gz LFDOEFHQLNGBQQ-HNNXBMFYSA-N 1 3 386.496 3.806 50 0 in-vitro GHAAHO CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000014968612 207035175 /nfs/dbraw/zinc/03/51/75/207035175.db2.gz HXJQSXZGLWTVQT-QHCPKHFHSA-N 1 3 375.601 3.613 50 0 GHAAHO CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000014968612 207035179 /nfs/dbraw/zinc/03/51/79/207035179.db2.gz HXJQSXZGLWTVQT-QHCPKHFHSA-N 1 3 375.601 3.613 50 0 GHAAHO Fc1ccc(-n2cc(C[NH2+]CCC3CCN(c4ccncc4)CC3)cn2)cc1 ZINC000095462165 136179213 /nfs/dbraw/zinc/17/92/13/136179213.db2.gz OKQLHQKGHIOBBQ-UHFFFAOYSA-N 1 3 379.483 3.803 50 0 GHAAHO O=C(Nc1ccccc1CN1CCCCC1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000827733150 865096892 /nfs/dbraw/zinc/09/68/92/865096892.db2.gz GONCRLUOPCFGNW-FQEVSTJZSA-N 1 3 385.552 3.502 50 0 GHAAHO O=C(Nc1ccccc1CN1CCCCC1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000827733150 865096900 /nfs/dbraw/zinc/09/69/00/865096900.db2.gz GONCRLUOPCFGNW-FQEVSTJZSA-N 1 3 385.552 3.502 50 0 GHAAHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000020453306 207195254 /nfs/dbraw/zinc/19/52/54/207195254.db2.gz NHXZZRMOQDLELO-CQSZACIVSA-N 1 3 395.473 3.759 50 0 GHAAHO OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCN1C1CCCC1 ZINC000023358157 207274954 /nfs/dbraw/zinc/27/49/54/207274954.db2.gz ILCPCKAVBLMKJW-HXUWFJFHSA-N 1 3 391.625 3.545 50 0 GHAAHO CCCC[N@H+](C)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000011879350 857863820 /nfs/dbraw/zinc/86/38/20/857863820.db2.gz NCPPAJZUCAMYRV-QHCPKHFHSA-N 1 3 382.548 3.717 50 0 GHAAHO CCCC[N@@H+](C)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000011879350 857863826 /nfs/dbraw/zinc/86/38/26/857863826.db2.gz NCPPAJZUCAMYRV-QHCPKHFHSA-N 1 3 382.548 3.717 50 0 GHAAHO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 ZINC000020996324 207222944 /nfs/dbraw/zinc/22/29/44/207222944.db2.gz JQBYTZXUXSQJLX-VWLOTQADSA-N 1 3 392.591 3.685 50 0 GHAAHO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 ZINC000020996324 207222948 /nfs/dbraw/zinc/22/29/48/207222948.db2.gz JQBYTZXUXSQJLX-VWLOTQADSA-N 1 3 392.591 3.685 50 0 GHAAHO C(=C/c1ccccc1)\CN1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000022455649 570538529 /nfs/dbraw/zinc/53/85/29/570538529.db2.gz ISDDDDBBZMEXNB-KPKJPENVSA-N 1 3 375.560 3.982 50 0 GHAAHO CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 ZINC000012228281 570628912 /nfs/dbraw/zinc/62/89/12/570628912.db2.gz UIGIWLDVCLITRB-OAQYLSRUSA-N 1 3 385.596 3.794 50 0 GHAAHO CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 ZINC000012228281 570628918 /nfs/dbraw/zinc/62/89/18/570628918.db2.gz UIGIWLDVCLITRB-OAQYLSRUSA-N 1 3 385.596 3.794 50 0 GHAAHO CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000014968608 207034827 /nfs/dbraw/zinc/03/48/27/207034827.db2.gz HXJQSXZGLWTVQT-HSZRJFAPSA-N 1 3 375.601 3.613 50 0 GHAAHO CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000014968608 207034831 /nfs/dbraw/zinc/03/48/31/207034831.db2.gz HXJQSXZGLWTVQT-HSZRJFAPSA-N 1 3 375.601 3.613 50 0 GHAAHO COCCN1CCC(C[N@@H+](Cc2cc3ccccc3o2)C[C@H]2CCCO2)CC1 ZINC000012431320 207308966 /nfs/dbraw/zinc/30/89/66/207308966.db2.gz WMDNAQVYBVGSCL-OAQYLSRUSA-N 1 3 386.536 3.772 50 0 GHAAHO COCCN1CCC(C[N@H+](Cc2cc3ccccc3o2)C[C@H]2CCCO2)CC1 ZINC000012431320 207308968 /nfs/dbraw/zinc/30/89/68/207308968.db2.gz WMDNAQVYBVGSCL-OAQYLSRUSA-N 1 3 386.536 3.772 50 0 GHAAHO Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCC[NH2+]CCCN)c1 ZINC000012620893 570898795 /nfs/dbraw/zinc/89/87/95/570898795.db2.gz LGSLAPLXBBVASH-UHFFFAOYSA-N 1 3 395.576 3.587 50 0 GHAAHO Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCCNCCC[NH3+])c1 ZINC000012620893 570898798 /nfs/dbraw/zinc/89/87/98/570898798.db2.gz LGSLAPLXBBVASH-UHFFFAOYSA-N 1 3 395.576 3.587 50 0 GHAAHO CN1CCC2(C[N@H+](CC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2)CC1 ZINC000257186705 859820245 /nfs/dbraw/zinc/82/02/45/859820245.db2.gz KRSRBSCXZVDOBX-JOCHJYFZSA-N 1 3 383.580 3.527 50 0 GHAAHO CN1CCC2(C[N@@H+](CC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2)CC1 ZINC000257186705 859820250 /nfs/dbraw/zinc/82/02/50/859820250.db2.gz KRSRBSCXZVDOBX-JOCHJYFZSA-N 1 3 383.580 3.527 50 0 GHAAHO Cn1c2ccccc2nc1CN(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000023312272 207273392 /nfs/dbraw/zinc/27/33/92/207273392.db2.gz CUPYZTMSPQQDKL-UHFFFAOYSA-N 1 3 376.548 3.960 50 0 GHAAHO C[NH+](C)CCOc1ccccc1CN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000223503452 570469042 /nfs/dbraw/zinc/46/90/42/570469042.db2.gz ZKIMZNQQYMHARA-UHFFFAOYSA-N 1 3 388.939 3.764 50 0 GHAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011879251 570591382 /nfs/dbraw/zinc/59/13/82/570591382.db2.gz SUZMKNQZDGGYOQ-HSZRJFAPSA-N 1 3 385.596 3.712 50 0 GHAAHO CN(Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012593201 859447857 /nfs/dbraw/zinc/44/78/57/859447857.db2.gz AGVFMTXZWGYUMA-QFIPXVFZSA-N 1 3 386.511 3.683 50 0 GHAAHO CC(C)(CN1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2)CN1CCOCC1 ZINC000012073929 207280361 /nfs/dbraw/zinc/28/03/61/207280361.db2.gz VOTKVPYXHZVXPM-XMMPIXPASA-N 1 3 391.644 3.713 50 0 GHAAHO CC(C)(CN1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)CN1CCOCC1 ZINC000012073929 207280364 /nfs/dbraw/zinc/28/03/64/207280364.db2.gz VOTKVPYXHZVXPM-XMMPIXPASA-N 1 3 391.644 3.713 50 0 GHAAHO CN1CCC(Cc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072467787 208030888 /nfs/dbraw/zinc/03/08/88/208030888.db2.gz AUCAFBAMLPLIMA-UHFFFAOYSA-N 1 3 384.955 3.684 50 0 GHAAHO CCOc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000062253114 570596543 /nfs/dbraw/zinc/59/65/43/570596543.db2.gz HYUGKXWPCQCSBS-HOTGVXAUSA-N 1 3 384.948 3.726 50 0 GHAAHO CSc1ncc(CN(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000055153565 570684969 /nfs/dbraw/zinc/68/49/69/570684969.db2.gz PHFQPJPDAZZXHS-UHFFFAOYSA-N 1 3 388.556 3.724 50 0 GHAAHO CN(Cc1ccc2c[nH]nc2c1)[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305067 /nfs/dbraw/zinc/30/50/67/840305067.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 1 3 388.519 3.926 50 0 GHAAHO CN(Cc1ccc2c[nH]nc2c1)[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305082 /nfs/dbraw/zinc/30/50/82/840305082.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 1 3 388.519 3.926 50 0 GHAAHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011661298 856877032 /nfs/dbraw/zinc/87/70/32/856877032.db2.gz QCQRJHRHRSFASV-HXUWFJFHSA-N 1 3 385.596 3.568 50 0 GHAAHO CC(C)N1CCC([NH2+]Cc2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000015569240 210159132 /nfs/dbraw/zinc/15/91/32/210159132.db2.gz UHHSBGNTQUHRNC-UHFFFAOYSA-N 1 3 378.520 3.876 50 0 GHAAHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000096999655 211354882 /nfs/dbraw/zinc/35/48/82/211354882.db2.gz SBTHFGATVMPKFR-WOJBJXKFSA-N 1 3 384.568 3.975 50 0 GHAAHO Cc1cc(N2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)n1 ZINC000072159255 136167276 /nfs/dbraw/zinc/16/72/76/136167276.db2.gz MNPQUXCKURRYBK-SFHVURJKSA-N 1 3 385.943 3.759 50 0 GHAAHO Cc1cc(N2CCC([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)n1 ZINC000072159255 136167277 /nfs/dbraw/zinc/16/72/77/136167277.db2.gz MNPQUXCKURRYBK-SFHVURJKSA-N 1 3 385.943 3.759 50 0 GHAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219647 519670292 /nfs/dbraw/zinc/67/02/92/519670292.db2.gz VSZKIEMCMYXRHK-HSZRJFAPSA-N 1 3 395.591 3.887 50 0 GHAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011879252 570591284 /nfs/dbraw/zinc/59/12/84/570591284.db2.gz SUZMKNQZDGGYOQ-QHCPKHFHSA-N 1 3 385.596 3.712 50 0 GHAAHO C[C@H]1CCC[N@H+](CCOc2ccc(CNCc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211998 570688010 /nfs/dbraw/zinc/68/80/10/570688010.db2.gz IWEKLEIKWOMILL-SFHVURJKSA-N 1 3 382.504 3.816 50 0 GHAAHO C[C@H]1CCC[N@@H+](CCOc2ccc(CNCc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211998 570688014 /nfs/dbraw/zinc/68/80/14/570688014.db2.gz IWEKLEIKWOMILL-SFHVURJKSA-N 1 3 382.504 3.816 50 0 GHAAHO CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccc3nccc(N)c3c2)cc1 ZINC000534671612 570920698 /nfs/dbraw/zinc/92/06/98/570920698.db2.gz GUBVJLPBVUKBJW-UHFFFAOYSA-N 1 3 376.504 3.946 50 0 GHAAHO CCc1nc(C)c(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011664547 856874198 /nfs/dbraw/zinc/87/41/98/856874198.db2.gz ZOFLLMGZXFPVHO-OAQYLSRUSA-N 1 3 388.600 3.916 50 0 GHAAHO O=C(Nc1ccccc1CN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000827733151 865097390 /nfs/dbraw/zinc/09/73/90/865097390.db2.gz GONCRLUOPCFGNW-HXUWFJFHSA-N 1 3 385.552 3.502 50 0 GHAAHO O=C(Nc1ccccc1CN1CCCCC1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000827733151 865097396 /nfs/dbraw/zinc/09/73/96/865097396.db2.gz GONCRLUOPCFGNW-HXUWFJFHSA-N 1 3 385.552 3.502 50 0 GHAAHO Cc1cccc(CNCc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000014958189 210134352 /nfs/dbraw/zinc/13/43/52/210134352.db2.gz ANVUOSOFGAYPHC-QHCPKHFHSA-N 1 3 382.548 3.901 50 0 GHAAHO C[N@H+](C[C@H](O)COc1cccc(CN2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504352 211255024 /nfs/dbraw/zinc/25/50/24/211255024.db2.gz IQJLGRIRSUDJAV-NRFANRHFSA-N 1 3 378.532 3.625 50 0 GHAAHO C[N@@H+](C[C@H](O)COc1cccc(CN2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504352 211255029 /nfs/dbraw/zinc/25/50/29/211255029.db2.gz IQJLGRIRSUDJAV-NRFANRHFSA-N 1 3 378.532 3.625 50 0 GHAAHO O=C(NC1CCCC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020451860 210336134 /nfs/dbraw/zinc/33/61/34/210336134.db2.gz DFYVQPCISSUGOO-UHFFFAOYSA-N 1 3 397.607 3.854 50 0 GHAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219652 519670518 /nfs/dbraw/zinc/67/05/18/519670518.db2.gz VSZKIEMCMYXRHK-QHCPKHFHSA-N 1 3 395.591 3.887 50 0 GHAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012431017 570659753 /nfs/dbraw/zinc/65/97/53/570659753.db2.gz DDHDPXYFISGECV-JOCHJYFZSA-N 1 3 398.547 3.519 50 0 GHAAHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011661299 856876906 /nfs/dbraw/zinc/87/69/06/856876906.db2.gz QCQRJHRHRSFASV-FQEVSTJZSA-N 1 3 385.596 3.568 50 0 GHAAHO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]C2CCN(CC)CC2)C[C@@]1(C)CO ZINC000015073614 210151237 /nfs/dbraw/zinc/15/12/37/210151237.db2.gz DAWUHHLWBIAURV-COPCDDAFSA-N 1 3 394.003 3.548 50 0 GHAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012431016 570659444 /nfs/dbraw/zinc/65/94/44/570659444.db2.gz DDHDPXYFISGECV-QFIPXVFZSA-N 1 3 398.547 3.519 50 0 GHAAHO CN(C)C[C@H](O)COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580619 570684068 /nfs/dbraw/zinc/68/40/68/570684068.db2.gz VMOAPTGKHYILHO-QFIPXVFZSA-N 1 3 378.516 3.773 50 0 GHAAHO CN(C)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580619 570684072 /nfs/dbraw/zinc/68/40/72/570684072.db2.gz VMOAPTGKHYILHO-QFIPXVFZSA-N 1 3 378.516 3.773 50 0 GHAAHO O=C(c1ccncc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574417 859427402 /nfs/dbraw/zinc/42/74/02/859427402.db2.gz NOMMQGUCGJFSLN-OAQYLSRUSA-N 1 3 398.595 3.664 50 0 GHAAHO O=C(c1ccncc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574417 859427408 /nfs/dbraw/zinc/42/74/08/859427408.db2.gz NOMMQGUCGJFSLN-OAQYLSRUSA-N 1 3 398.595 3.664 50 0 GHAAHO Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000299798895 212038790 /nfs/dbraw/zinc/03/87/90/212038790.db2.gz UKUWDIBLRZWIQQ-LJQANCHMSA-N 1 3 391.629 3.763 50 0 GHAAHO Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000299798895 212038794 /nfs/dbraw/zinc/03/87/94/212038794.db2.gz UKUWDIBLRZWIQQ-LJQANCHMSA-N 1 3 391.629 3.763 50 0 GHAAHO CC(C)=CC[NH+]1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095518110 211265177 /nfs/dbraw/zinc/26/51/77/211265177.db2.gz PANNDZILPHBJGH-QHCPKHFHSA-N 1 3 383.580 3.836 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC000020920764 210368663 /nfs/dbraw/zinc/36/86/63/210368663.db2.gz CHFPQOJYMMPMRG-FQEVSTJZSA-N 1 3 397.607 3.930 50 0 GHAAHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=CCN(Cc2ccccc2)CC1 ZINC000064817929 570553060 /nfs/dbraw/zinc/55/30/60/570553060.db2.gz JCWXCYOZOQHXDL-UHFFFAOYSA-N 1 3 389.543 3.600 50 0 GHAAHO CN(C)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580613 570683988 /nfs/dbraw/zinc/68/39/88/570683988.db2.gz VMOAPTGKHYILHO-JOCHJYFZSA-N 1 3 378.516 3.773 50 0 GHAAHO CN(C)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580613 570683991 /nfs/dbraw/zinc/68/39/91/570683991.db2.gz VMOAPTGKHYILHO-JOCHJYFZSA-N 1 3 378.516 3.773 50 0 GHAAHO Cc1c[nH]c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095505735 211257459 /nfs/dbraw/zinc/25/74/59/211257459.db2.gz BOBORDYTJAZCKN-NRFANRHFSA-N 1 3 387.616 3.661 50 0 GHAAHO Cc1c[nH]c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095505735 211257462 /nfs/dbraw/zinc/25/74/62/211257462.db2.gz BOBORDYTJAZCKN-NRFANRHFSA-N 1 3 387.616 3.661 50 0 GHAAHO COc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc12 ZINC000048783015 570254156 /nfs/dbraw/zinc/25/41/56/570254156.db2.gz SMKPBDSFGPSUCM-UHFFFAOYSA-N 1 3 389.543 3.886 50 0 GHAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCC3(CCCC3)C2)ccc1OC ZINC000095505529 211257793 /nfs/dbraw/zinc/25/77/93/211257793.db2.gz OSKFXDNLEWOWSW-FQEVSTJZSA-N 1 3 390.568 3.543 50 0 GHAAHO CC[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020453906 210336919 /nfs/dbraw/zinc/33/69/19/210336919.db2.gz VVINXJAGIIWNGA-HXUWFJFHSA-N 1 3 385.596 3.710 50 0 GHAAHO Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)nc(N)n1 ZINC000095379009 136178795 /nfs/dbraw/zinc/17/87/95/136178795.db2.gz GXQGFZHNNNBSGU-IBGZPJMESA-N 1 3 377.536 3.606 50 0 GHAAHO Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)nc(N)n1 ZINC000095379009 136178796 /nfs/dbraw/zinc/17/87/96/136178796.db2.gz GXQGFZHNNNBSGU-IBGZPJMESA-N 1 3 377.536 3.606 50 0 GHAAHO [NH3+]CCc1nc2ccccc2c(NC[C@@H](c2ccc(F)cc2)N2CCCC2)n1 ZINC000065464248 570770076 /nfs/dbraw/zinc/77/00/76/570770076.db2.gz QLHZKGRIHSCYCZ-FQEVSTJZSA-N 1 3 379.483 3.519 50 0 GHAAHO O=C(C1CCC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014956384 843631217 /nfs/dbraw/zinc/63/12/17/843631217.db2.gz ONNXXNYBADSKCO-HXUWFJFHSA-N 1 3 375.601 3.756 50 0 GHAAHO O=C(C1CCC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014956384 843631225 /nfs/dbraw/zinc/63/12/25/843631225.db2.gz ONNXXNYBADSKCO-HXUWFJFHSA-N 1 3 375.601 3.756 50 0 GHAAHO c1ccc(CCN2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000000757906 918043797 /nfs/dbraw/zinc/04/37/97/918043797.db2.gz JWYCNFYRBTWZBM-UHFFFAOYSA-N 1 3 377.576 3.948 50 0 GHAAHO Cc1ccccc1[C@@H]1CCN(CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000426518626 231234078 /nfs/dbraw/zinc/23/40/78/231234078.db2.gz BDYNRGYVBREQBT-HXUWFJFHSA-N 1 3 385.596 3.847 50 0 GHAAHO CSc1ccc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014981172 210139206 /nfs/dbraw/zinc/13/92/06/210139206.db2.gz CLXOMWIFFMCZEL-IBGZPJMESA-N 1 3 389.609 3.610 50 0 GHAAHO COc1ccc(CNCc2ccccc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014955678 210133134 /nfs/dbraw/zinc/13/31/34/210133134.db2.gz RLSJUFUHOFYPFJ-JOCHJYFZSA-N 1 3 398.547 3.519 50 0 GHAAHO O=C(c1cccnc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095517158 211265340 /nfs/dbraw/zinc/26/53/40/211265340.db2.gz NCYYAGQPBFIGIJ-OAQYLSRUSA-N 1 3 398.595 3.664 50 0 GHAAHO O=C(c1cccnc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095517158 211265346 /nfs/dbraw/zinc/26/53/46/211265346.db2.gz NCYYAGQPBFIGIJ-OAQYLSRUSA-N 1 3 398.595 3.664 50 0 GHAAHO Cc1nc(-c2c(O)cn(C3CC[NH+](Cc4ccccc4)CC3)c2N)sc1C ZINC000102717216 570860351 /nfs/dbraw/zinc/86/03/51/570860351.db2.gz BBNMRVKLJIMIHT-UHFFFAOYSA-N 1 3 382.533 3.987 50 0 GHAAHO C[N@@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969046 /nfs/dbraw/zinc/96/90/46/570969046.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 1 3 397.950 3.581 50 0 GHAAHO C[N@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969051 /nfs/dbraw/zinc/96/90/51/570969051.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 1 3 397.950 3.581 50 0 GHAAHO CCCN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000084755305 571035479 /nfs/dbraw/zinc/03/54/79/571035479.db2.gz OXCKSDCTAFWFGI-UHFFFAOYSA-N 1 3 383.330 3.574 50 0 GHAAHO Nc1ccnc(-c2ccc(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)cc2)c1 ZINC000426673951 231251500 /nfs/dbraw/zinc/25/15/00/231251500.db2.gz AFJPVEZXQIJLST-UHFFFAOYSA-N 1 3 378.520 3.811 50 0 GHAAHO Nc1ccnc(-c2ccc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)cc2)c1 ZINC000426673951 231251502 /nfs/dbraw/zinc/25/15/02/231251502.db2.gz AFJPVEZXQIJLST-UHFFFAOYSA-N 1 3 378.520 3.811 50 0 GHAAHO CC(C)[NH+]1CCC(N2CCN(Cc3cccc4ccccc43)C[C@H]2CCO)CC1 ZINC000104513051 570259789 /nfs/dbraw/zinc/25/97/89/570259789.db2.gz VTCPZZPZFUCXIJ-XMMPIXPASA-N 1 3 395.591 3.581 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnc[nH]2)C[C@@H]2CCCO2)CC1 ZINC000011936549 570594097 /nfs/dbraw/zinc/59/40/97/570594097.db2.gz UTFKQUXJHTZDHU-QHCPKHFHSA-N 1 3 382.552 3.611 50 0 GHAAHO CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)C1CCN(C)CC1 ZINC000012457178 570669538 /nfs/dbraw/zinc/66/95/38/570669538.db2.gz CKKHGXXHDNWUIP-LJQANCHMSA-N 1 3 397.563 3.978 50 0 GHAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)C1CCN(C)CC1 ZINC000012457178 570669540 /nfs/dbraw/zinc/66/95/40/570669540.db2.gz CKKHGXXHDNWUIP-LJQANCHMSA-N 1 3 397.563 3.978 50 0 GHAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)C1CCN(C)CC1 ZINC000012457176 570669560 /nfs/dbraw/zinc/66/95/60/570669560.db2.gz CKKHGXXHDNWUIP-IBGZPJMESA-N 1 3 397.563 3.978 50 0 GHAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)C1CCN(C)CC1 ZINC000012457176 570669562 /nfs/dbraw/zinc/66/95/62/570669562.db2.gz CKKHGXXHDNWUIP-IBGZPJMESA-N 1 3 397.563 3.978 50 0 GHAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438876 862368944 /nfs/dbraw/zinc/36/89/44/862368944.db2.gz OJBZWMJIDJFGBP-HNNXBMFYSA-N 1 3 386.462 3.585 50 0 GHAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438876 862368964 /nfs/dbraw/zinc/36/89/64/862368964.db2.gz OJBZWMJIDJFGBP-HNNXBMFYSA-N 1 3 386.462 3.585 50 0 GHAAHO CC(C)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015066772 210147166 /nfs/dbraw/zinc/14/71/66/210147166.db2.gz JMLZQLUHRGPGRC-UHFFFAOYSA-N 1 3 385.596 3.568 50 0 GHAAHO COc1ccc(CNCc2ccccc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014955674 210132962 /nfs/dbraw/zinc/13/29/62/210132962.db2.gz RLSJUFUHOFYPFJ-QFIPXVFZSA-N 1 3 398.547 3.519 50 0 GHAAHO CC(C)(C)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000039551951 570593685 /nfs/dbraw/zinc/59/36/85/570593685.db2.gz BEIJQDOEUYKRRN-IBGZPJMESA-N 1 3 393.641 3.649 50 0 GHAAHO O=C(CCC1CC[NH+](Cc2ccoc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012057722 570603111 /nfs/dbraw/zinc/60/31/11/570603111.db2.gz DJUXLJCNUBTWFP-HSZRJFAPSA-N 1 3 395.547 3.663 50 0 GHAAHO COCCN(Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1)C(C)C ZINC000012209110 859314164 /nfs/dbraw/zinc/31/41/64/859314164.db2.gz NSTLNQVSZDLUIT-JOCHJYFZSA-N 1 3 392.584 3.548 50 0 GHAAHO COCCN(Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1)C(C)C ZINC000012209110 859314171 /nfs/dbraw/zinc/31/41/71/859314171.db2.gz NSTLNQVSZDLUIT-JOCHJYFZSA-N 1 3 392.584 3.548 50 0 GHAAHO CN1CCN(Cc2ccc(CC3CC[NH+](Cc4ccc(O)cc4)CC3)cc2)CC1 ZINC000581810153 870041919 /nfs/dbraw/zinc/04/19/19/870041919.db2.gz BTUBGWCDKAXZAX-UHFFFAOYSA-N 1 3 393.575 3.594 50 0 GHAAHO Cc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)c(C)c(CN2CCN(C)CC2)c1 ZINC000952872496 904635635 /nfs/dbraw/zinc/63/56/35/904635635.db2.gz QNSKDGQIDYKUDF-UHFFFAOYSA-N 1 3 376.548 3.822 50 0 GHAAHO O=C(CC[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1)NC1CC1 ZINC000015066328 919357626 /nfs/dbraw/zinc/35/76/26/919357626.db2.gz ZQOJBHURTFZSGP-KRWDZBQOSA-N 1 3 375.582 3.615 50 0 GHAAHO CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CC[NH2+]CC2)cc1 ZINC000299779623 212037681 /nfs/dbraw/zinc/03/76/81/212037681.db2.gz KMYNTCRBXZWWEL-UHFFFAOYSA-N 1 3 395.572 3.817 50 0 GHAAHO CC(C)=CC[NH+]1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095518109 211264319 /nfs/dbraw/zinc/26/43/19/211264319.db2.gz PANNDZILPHBJGH-HSZRJFAPSA-N 1 3 383.580 3.836 50 0 GHAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCC3(CCCC3)C2)cc1OC ZINC000095498900 211252784 /nfs/dbraw/zinc/25/27/84/211252784.db2.gz UODKFSVBVSHZCM-FQEVSTJZSA-N 1 3 390.568 3.543 50 0 GHAAHO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000067773721 211021841 /nfs/dbraw/zinc/02/18/41/211021841.db2.gz APSYTGPMAYFPCN-NRFANRHFSA-N 1 3 391.559 3.795 50 0 GHAAHO CC(C)(C)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000105904076 570260527 /nfs/dbraw/zinc/26/05/27/570260527.db2.gz BEIJQDOEUYKRRN-LJQANCHMSA-N 1 3 393.641 3.649 50 0 GHAAHO Fc1ccccc1CN1CCC(C[N@H+](C[C@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873073 570589318 /nfs/dbraw/zinc/58/93/18/570589318.db2.gz YVNUKFDWJFDHBX-JOCHJYFZSA-N 1 3 390.543 3.698 50 0 GHAAHO Fc1ccccc1CN1CCC(C[N@@H+](C[C@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873073 570589322 /nfs/dbraw/zinc/58/93/22/570589322.db2.gz YVNUKFDWJFDHBX-JOCHJYFZSA-N 1 3 390.543 3.698 50 0 GHAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686354 /nfs/dbraw/zinc/68/63/54/570686354.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 1 3 394.519 3.618 50 0 GHAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686356 /nfs/dbraw/zinc/68/63/56/570686356.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 1 3 394.519 3.618 50 0 GHAAHO O[C@H](COc1cccc(C[NH2+]C2CCCCC2)c1)CN1CCc2ccccc2C1 ZINC000012437565 862365929 /nfs/dbraw/zinc/36/59/29/862365929.db2.gz TYTXRFZYZKRIJJ-DEOSSOPVSA-N 1 3 394.559 3.907 50 0 GHAAHO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000015073088 210149480 /nfs/dbraw/zinc/14/94/80/210149480.db2.gz NSKFZRCZCOXGGN-OAQYLSRUSA-N 1 3 387.568 3.653 50 0 GHAAHO O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000015073088 210149485 /nfs/dbraw/zinc/14/94/85/210149485.db2.gz NSKFZRCZCOXGGN-OAQYLSRUSA-N 1 3 387.568 3.653 50 0 GHAAHO O=C(c1ccc[nH]1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095518884 211264865 /nfs/dbraw/zinc/26/48/65/211264865.db2.gz PGZNMKHQBCASBH-HXUWFJFHSA-N 1 3 386.584 3.597 50 0 GHAAHO O=C(c1ccc[nH]1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095518884 211264866 /nfs/dbraw/zinc/26/48/66/211264866.db2.gz PGZNMKHQBCASBH-HXUWFJFHSA-N 1 3 386.584 3.597 50 0 GHAAHO CC[C@H](C)NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020453908 210335811 /nfs/dbraw/zinc/33/58/11/210335811.db2.gz VVINXJAGIIWNGA-FQEVSTJZSA-N 1 3 385.596 3.710 50 0 GHAAHO Fc1ccccc1CN1CCC(C[N@H+](C[C@@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873072 570589432 /nfs/dbraw/zinc/58/94/32/570589432.db2.gz YVNUKFDWJFDHBX-QFIPXVFZSA-N 1 3 390.543 3.698 50 0 GHAAHO Fc1ccccc1CN1CCC(C[N@@H+](C[C@@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873072 570589436 /nfs/dbraw/zinc/58/94/36/570589436.db2.gz YVNUKFDWJFDHBX-QFIPXVFZSA-N 1 3 390.543 3.698 50 0 GHAAHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004699264 570843737 /nfs/dbraw/zinc/84/37/37/570843737.db2.gz QHTFZPHOXPPTBN-UHFFFAOYSA-N 1 3 399.501 3.621 50 0 GHAAHO c1ccc(CN2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC000257193447 838974019 /nfs/dbraw/zinc/97/40/19/838974019.db2.gz RQCDDHABHXXMIN-ILBGXUMGSA-N 1 3 375.560 3.857 50 0 GHAAHO O=C1CC[C@@H]([NH+]2CCC(N3CCCCC3)CC2)CCN1CC1CCCCC1 ZINC000015002084 919353043 /nfs/dbraw/zinc/35/30/43/919353043.db2.gz ONHXGOTXQYQPSJ-OAQYLSRUSA-N 1 3 375.601 3.898 50 0 GHAAHO Cc1ccccc1[C@H]1CCN(CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000426518623 231234013 /nfs/dbraw/zinc/23/40/13/231234013.db2.gz BDYNRGYVBREQBT-FQEVSTJZSA-N 1 3 385.596 3.847 50 0 GHAAHO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000015073089 210150028 /nfs/dbraw/zinc/15/00/28/210150028.db2.gz NSKFZRCZCOXGGN-NRFANRHFSA-N 1 3 387.568 3.653 50 0 GHAAHO O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000015073089 210150031 /nfs/dbraw/zinc/15/00/31/210150031.db2.gz NSKFZRCZCOXGGN-NRFANRHFSA-N 1 3 387.568 3.653 50 0 GHAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953864 210133553 /nfs/dbraw/zinc/13/35/53/210133553.db2.gz YEJQTXDLIRAUGJ-WBOGLDCHSA-N 1 3 387.612 3.512 50 0 GHAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cccc3ccccc31)CC[NH+](C)CC2 ZINC000072475045 211122516 /nfs/dbraw/zinc/12/25/16/211122516.db2.gz FTGJFAFKDZFDAE-QFIPXVFZSA-N 1 3 379.548 3.652 50 0 GHAAHO CCn1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012049416 858682643 /nfs/dbraw/zinc/68/26/43/858682643.db2.gz IGZMSFRSEOBSFZ-HSZRJFAPSA-N 1 3 388.600 3.847 50 0 GHAAHO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 ZINC000020996322 210373170 /nfs/dbraw/zinc/37/31/70/210373170.db2.gz JQBYTZXUXSQJLX-RUZDIDTESA-N 1 3 392.591 3.685 50 0 GHAAHO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 ZINC000020996322 210373174 /nfs/dbraw/zinc/37/31/74/210373174.db2.gz JQBYTZXUXSQJLX-RUZDIDTESA-N 1 3 392.591 3.685 50 0 GHAAHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000019865434 210304503 /nfs/dbraw/zinc/30/45/03/210304503.db2.gz UBMGGYQGPCAWDE-XMMPIXPASA-N 1 3 378.564 3.642 50 0 GHAAHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000019865434 210304509 /nfs/dbraw/zinc/30/45/09/210304509.db2.gz UBMGGYQGPCAWDE-XMMPIXPASA-N 1 3 378.564 3.642 50 0 GHAAHO CN(C)Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024971228 570411920 /nfs/dbraw/zinc/41/19/20/570411920.db2.gz VIQKFSGNOOMCEQ-UHFFFAOYSA-N 1 3 394.563 3.734 50 0 GHAAHO CN(Cc1ccc(OC[C@H](O)C[NH+](C)C)cc1)Cc1ccccc1C(F)(F)F ZINC000011753748 570580908 /nfs/dbraw/zinc/58/09/08/570580908.db2.gz NKOBIKYJICSBCM-GOSISDBHSA-N 1 3 396.453 3.639 50 0 GHAAHO COc1ccc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc1O ZINC000012467170 570671592 /nfs/dbraw/zinc/67/15/92/570671592.db2.gz CMLATOZLOCIBHJ-UHFFFAOYSA-N 1 3 386.511 3.926 50 0 GHAAHO COc1ccc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc1O ZINC000012467170 570671593 /nfs/dbraw/zinc/67/15/93/570671593.db2.gz CMLATOZLOCIBHJ-UHFFFAOYSA-N 1 3 386.511 3.926 50 0 GHAAHO CCCC[N@H+](C)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000011879351 857863610 /nfs/dbraw/zinc/86/36/10/857863610.db2.gz NCPPAJZUCAMYRV-HSZRJFAPSA-N 1 3 382.548 3.717 50 0 GHAAHO CCCC[N@@H+](C)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000011879351 857863614 /nfs/dbraw/zinc/86/36/14/857863614.db2.gz NCPPAJZUCAMYRV-HSZRJFAPSA-N 1 3 382.548 3.717 50 0 GHAAHO O=C(c1ccoc1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012578498 859434183 /nfs/dbraw/zinc/43/41/83/859434183.db2.gz UFAWRJXSCKONBN-FQEVSTJZSA-N 1 3 387.568 3.862 50 0 GHAAHO O=C(c1ccoc1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012578498 859434189 /nfs/dbraw/zinc/43/41/89/859434189.db2.gz UFAWRJXSCKONBN-FQEVSTJZSA-N 1 3 387.568 3.862 50 0 GHAAHO C[C@H]1CCC[N@H+](CCOc2ccccc2CN2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127430 570296321 /nfs/dbraw/zinc/29/63/21/570296321.db2.gz MRKLCNOAYIHMPJ-IBGZPJMESA-N 1 3 382.552 3.900 50 0 GHAAHO C[C@H]1CCC[N@@H+](CCOc2ccccc2CN2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127430 570296324 /nfs/dbraw/zinc/29/63/24/570296324.db2.gz MRKLCNOAYIHMPJ-IBGZPJMESA-N 1 3 382.552 3.900 50 0 GHAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNC2(c3ccccc3)CC2)ccc1OC ZINC000012463523 570671212 /nfs/dbraw/zinc/67/12/12/570671212.db2.gz XPVRTZCQQORZBI-OAQYLSRUSA-N 1 3 398.547 3.556 50 0 GHAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686414 /nfs/dbraw/zinc/68/64/14/570686414.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 1 3 394.519 3.618 50 0 GHAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686417 /nfs/dbraw/zinc/68/64/17/570686417.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 1 3 394.519 3.618 50 0 GHAAHO CC1(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000015065423 210146239 /nfs/dbraw/zinc/14/62/39/210146239.db2.gz MZPUQPMZRBQFTL-FQEVSTJZSA-N 1 3 375.601 3.756 50 0 GHAAHO CC1(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000015065423 210146243 /nfs/dbraw/zinc/14/62/43/210146243.db2.gz MZPUQPMZRBQFTL-FQEVSTJZSA-N 1 3 375.601 3.756 50 0 GHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccccc1 ZINC000095521312 211266913 /nfs/dbraw/zinc/26/69/13/211266913.db2.gz WEGYIEZTFRXBMH-FQEVSTJZSA-N 1 3 397.538 3.742 50 0 GHAAHO CN(C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000020146372 570243975 /nfs/dbraw/zinc/24/39/75/570243975.db2.gz QGUKEMONVVGBIP-NRFANRHFSA-N 1 3 383.580 3.645 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnn(C)c2)C[C@@H]2CCCO2)CC1 ZINC000012744995 919302511 /nfs/dbraw/zinc/30/25/11/919302511.db2.gz PQTRALSNJMTECP-DEOSSOPVSA-N 1 3 396.579 3.622 50 0 GHAAHO O=C(C1CCC1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014956388 919348335 /nfs/dbraw/zinc/34/83/35/919348335.db2.gz ONNXXNYBADSKCO-FQEVSTJZSA-N 1 3 375.601 3.756 50 0 GHAAHO O=C(C1CCC1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014956388 919348357 /nfs/dbraw/zinc/34/83/57/919348357.db2.gz ONNXXNYBADSKCO-FQEVSTJZSA-N 1 3 375.601 3.756 50 0 GHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CC(C)(C)C ZINC000012701269 934397018 /nfs/dbraw/zinc/39/70/18/934397018.db2.gz KUZUAVOJCXZLCG-LJQANCHMSA-N 1 3 391.575 3.864 50 0 GHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCC1 ZINC000015074790 210151299 /nfs/dbraw/zinc/15/12/99/210151299.db2.gz BMDOAQGWNVGLHJ-IBGZPJMESA-N 1 3 387.543 3.538 50 0 GHAAHO O=C(c1cc[nH]c1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095530774 211274767 /nfs/dbraw/zinc/27/47/67/211274767.db2.gz YWYKKISNHBEOIO-FQEVSTJZSA-N 1 3 386.584 3.597 50 0 GHAAHO O=C(c1cc[nH]c1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095530774 211274770 /nfs/dbraw/zinc/27/47/70/211274770.db2.gz YWYKKISNHBEOIO-FQEVSTJZSA-N 1 3 386.584 3.597 50 0 GHAAHO Cc1c[nH]c(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095505736 211257399 /nfs/dbraw/zinc/25/73/99/211257399.db2.gz BOBORDYTJAZCKN-OAQYLSRUSA-N 1 3 387.616 3.661 50 0 GHAAHO Cc1c[nH]c(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095505736 211257402 /nfs/dbraw/zinc/25/74/02/211257402.db2.gz BOBORDYTJAZCKN-OAQYLSRUSA-N 1 3 387.616 3.661 50 0 GHAAHO COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012194012 570622876 /nfs/dbraw/zinc/62/28/76/570622876.db2.gz VVHJRYSTQJDXBE-JOCHJYFZSA-N 1 3 398.547 3.599 50 0 GHAAHO CSc1cccc(NC(=S)N(CCN(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000004669537 570816649 /nfs/dbraw/zinc/81/66/49/570816649.db2.gz MABQTMUQCQCLLS-UHFFFAOYSA-N 1 3 394.654 3.842 50 0 GHAAHO O[C@H]1[C@H]([N@H+]2CC=CCC2)c2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000020513592 839942922 /nfs/dbraw/zinc/94/29/22/839942922.db2.gz KPNMICOOACMEOT-YADHBBJMSA-N 1 3 380.557 3.959 50 0 GHAAHO O[C@H]1[C@H]([N@@H+]2CC=CCC2)c2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000020513592 839942924 /nfs/dbraw/zinc/94/29/24/839942924.db2.gz KPNMICOOACMEOT-YADHBBJMSA-N 1 3 380.557 3.959 50 0 GHAAHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300566 856487810 /nfs/dbraw/zinc/48/78/10/856487810.db2.gz FMHYRGAWSFMJQL-HXUWFJFHSA-N 1 3 381.564 3.725 50 0 GHAAHO CCOc1ccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1CO ZINC000015070952 221331937 /nfs/dbraw/zinc/33/19/37/221331937.db2.gz UHUFYATZYFFARB-UHFFFAOYSA-N 1 3 386.536 3.823 50 0 GHAAHO CCOc1ccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1CO ZINC000015070952 221331940 /nfs/dbraw/zinc/33/19/40/221331940.db2.gz UHUFYATZYFFARB-UHFFFAOYSA-N 1 3 386.536 3.823 50 0 GHAAHO CN1CCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077744 221331410 /nfs/dbraw/zinc/33/14/10/221331410.db2.gz CHUIUOLQNPLLGK-QFIPXVFZSA-N 1 3 397.607 3.953 50 0 GHAAHO CN1CCC(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077744 221331413 /nfs/dbraw/zinc/33/14/13/221331413.db2.gz CHUIUOLQNPLLGK-QFIPXVFZSA-N 1 3 397.607 3.953 50 0 GHAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+](C)[C@H](C)Cc2ccccn2)c1 ZINC000215095687 570285661 /nfs/dbraw/zinc/28/56/61/570285661.db2.gz KAMVGAOLBYIITO-HXUWFJFHSA-N 1 3 380.580 3.509 50 0 GHAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+](C)[C@H](C)Cc2ccccn2)c1 ZINC000215095687 570285664 /nfs/dbraw/zinc/28/56/64/570285664.db2.gz KAMVGAOLBYIITO-HXUWFJFHSA-N 1 3 380.580 3.509 50 0 GHAAHO c1sc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1CN1CCCC1 ZINC000215977771 570293980 /nfs/dbraw/zinc/29/39/80/570293980.db2.gz NWHDRKGRKFUQTG-GOSISDBHSA-N 1 3 381.549 3.766 50 0 GHAAHO c1sc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1CN1CCCC1 ZINC000215977771 570293982 /nfs/dbraw/zinc/29/39/82/570293982.db2.gz NWHDRKGRKFUQTG-GOSISDBHSA-N 1 3 381.549 3.766 50 0 GHAAHO CN(C(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000096004753 570936336 /nfs/dbraw/zinc/93/63/36/570936336.db2.gz XXWRUWGTPKPTDN-YFNKSVMNSA-N 1 3 391.559 3.930 50 0 GHAAHO CN(C(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000096004753 570936338 /nfs/dbraw/zinc/93/63/38/570936338.db2.gz XXWRUWGTPKPTDN-YFNKSVMNSA-N 1 3 391.559 3.930 50 0 GHAAHO CN(C(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000096004753 570936342 /nfs/dbraw/zinc/93/63/42/570936342.db2.gz XXWRUWGTPKPTDN-YFNKSVMNSA-N 1 3 391.559 3.930 50 0 GHAAHO CCC(CC)NC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091679719 571025556 /nfs/dbraw/zinc/02/55/56/571025556.db2.gz DHWUSBUWEZQFTK-OAQYLSRUSA-N 1 3 397.607 3.635 50 0 GHAAHO O[C@H](COc1ccc(C[NH2+]C2CCCCC2)cc1)CN1CCc2ccccc2C1 ZINC000011945365 221140108 /nfs/dbraw/zinc/14/01/08/221140108.db2.gz PNUVFOOWTKUGCG-DEOSSOPVSA-N 1 3 394.559 3.907 50 0 GHAAHO C/C(=C\c1cc(Cl)ccc1[O-])C[N@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067982739 222171047 /nfs/dbraw/zinc/17/10/47/222171047.db2.gz KAARGWKEXPCQGB-GHRIWEEISA-N 1 3 377.960 3.551 50 0 GHAAHO C/C(=C\c1cc(Cl)ccc1[O-])C[N@@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067982739 222171049 /nfs/dbraw/zinc/17/10/49/222171049.db2.gz KAARGWKEXPCQGB-GHRIWEEISA-N 1 3 377.960 3.551 50 0 GHAAHO C[C@H](CCc1c[nH]c2ccccc12)[NH+]1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000020995611 919677423 /nfs/dbraw/zinc/67/74/23/919677423.db2.gz ZPYOEFCIYNDCEU-MRXNPFEDSA-N 1 3 380.540 3.611 50 0 GHAAHO C[C@@H](NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)C1CC1 ZINC000012469292 221198676 /nfs/dbraw/zinc/19/86/76/221198676.db2.gz UHYZRWDLDAJZMO-HXUWFJFHSA-N 1 3 397.607 3.710 50 0 GHAAHO Cc1cc(N2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)n1 ZINC000072159254 136167289 /nfs/dbraw/zinc/16/72/89/136167289.db2.gz MNPQUXCKURRYBK-GOSISDBHSA-N 1 3 385.943 3.759 50 0 GHAAHO Cc1cc(N2CCC([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)n1 ZINC000072159254 136167290 /nfs/dbraw/zinc/16/72/90/136167290.db2.gz MNPQUXCKURRYBK-GOSISDBHSA-N 1 3 385.943 3.759 50 0 GHAAHO [NH3+]CCc1nc2ccccc2c(NC[C@H](c2ccc(F)cc2)N2CCCC2)n1 ZINC000065464251 222131541 /nfs/dbraw/zinc/13/15/41/222131541.db2.gz QLHZKGRIHSCYCZ-HXUWFJFHSA-N 1 3 379.483 3.519 50 0 GHAAHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000241961417 570688137 /nfs/dbraw/zinc/68/81/37/570688137.db2.gz USIISLNSXDPIEV-HXUWFJFHSA-N 1 3 381.564 3.912 50 0 GHAAHO CCCOc1ccc(C[N@@H+]2CC[C@]3(CO)CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177675 838719494 /nfs/dbraw/zinc/71/94/94/838719494.db2.gz XQTMQGNUNOCBSL-UKILVPOCSA-N 1 3 394.559 3.792 50 0 GHAAHO CCCOc1ccc(C[N@H+]2CC[C@]3(CO)CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177675 838719504 /nfs/dbraw/zinc/71/95/04/838719504.db2.gz XQTMQGNUNOCBSL-UKILVPOCSA-N 1 3 394.559 3.792 50 0 GHAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000179394757 858794384 /nfs/dbraw/zinc/79/43/84/858794384.db2.gz ZMRZTPKLUOAHKY-QFIPXVFZSA-N 1 3 396.510 3.565 50 0 GHAAHO COCCN1CCC(C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]2CCCO2)CC1 ZINC000012431319 221191529 /nfs/dbraw/zinc/19/15/29/221191529.db2.gz WMDNAQVYBVGSCL-NRFANRHFSA-N 1 3 386.536 3.772 50 0 GHAAHO COCCN1CCC(C[N@H+](Cc2cc3ccccc3o2)C[C@@H]2CCCO2)CC1 ZINC000012431319 221191536 /nfs/dbraw/zinc/19/15/36/221191536.db2.gz WMDNAQVYBVGSCL-NRFANRHFSA-N 1 3 386.536 3.772 50 0 GHAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012592684 221211483 /nfs/dbraw/zinc/21/14/83/221211483.db2.gz DRXWBTLUMCLSSF-NRFANRHFSA-N 1 3 391.987 3.933 50 0 GHAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012592684 221211486 /nfs/dbraw/zinc/21/14/86/221211486.db2.gz DRXWBTLUMCLSSF-NRFANRHFSA-N 1 3 391.987 3.933 50 0 GHAAHO Cc1ccc2c(N3CCC[C@H](c4nccn4CC[NH+](C)C)C3)ccnc2c1C ZINC000095382578 136178792 /nfs/dbraw/zinc/17/87/92/136178792.db2.gz SNOGALCOFTWNOE-IBGZPJMESA-N 1 3 377.536 3.994 50 0 GHAAHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000019865438 570226722 /nfs/dbraw/zinc/22/67/22/570226722.db2.gz UBMGGYQGPCAWDE-DEOSSOPVSA-N 1 3 378.564 3.642 50 0 GHAAHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000019865438 570226724 /nfs/dbraw/zinc/22/67/24/570226724.db2.gz UBMGGYQGPCAWDE-DEOSSOPVSA-N 1 3 378.564 3.642 50 0 GHAAHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000096999650 570914046 /nfs/dbraw/zinc/91/40/46/570914046.db2.gz SBTHFGATVMPKFR-BGYRXZFFSA-N 1 3 384.568 3.975 50 0 GHAAHO CSCCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012477984 856008540 /nfs/dbraw/zinc/00/85/40/856008540.db2.gz DNZXQWFMLDAUDS-FQEVSTJZSA-N 1 3 395.657 3.709 50 0 GHAAHO CSCCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012477984 856008546 /nfs/dbraw/zinc/00/85/46/856008546.db2.gz DNZXQWFMLDAUDS-FQEVSTJZSA-N 1 3 395.657 3.709 50 0 GHAAHO O[C@@H](COc1ccc(C[NH2+]CCCc2ccccc2)cc1)CN1CCCCC1 ZINC000012440076 221195439 /nfs/dbraw/zinc/19/54/39/221195439.db2.gz HWSDKHXOHRQBFX-HSZRJFAPSA-N 1 3 382.548 3.635 50 0 GHAAHO COc1cc(CN2CCCCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000095519624 222347267 /nfs/dbraw/zinc/34/72/67/222347267.db2.gz HXWJMKPVJODLFG-OAQYLSRUSA-N 1 3 390.568 3.685 50 0 GHAAHO COc1cc(CN2CCCCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095519624 222347273 /nfs/dbraw/zinc/34/72/73/222347273.db2.gz HXWJMKPVJODLFG-OAQYLSRUSA-N 1 3 390.568 3.685 50 0 GHAAHO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361173 570356708 /nfs/dbraw/zinc/35/67/08/570356708.db2.gz KABAHLIVUIANLA-VWLOTQADSA-N 1 3 392.591 3.685 50 0 GHAAHO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361173 570356709 /nfs/dbraw/zinc/35/67/09/570356709.db2.gz KABAHLIVUIANLA-VWLOTQADSA-N 1 3 392.591 3.685 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnn(C)c2)C[C@H]2CCCO2)CC1 ZINC000012744997 919300782 /nfs/dbraw/zinc/30/07/82/919300782.db2.gz PQTRALSNJMTECP-XMMPIXPASA-N 1 3 396.579 3.622 50 0 GHAAHO CN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077742 221332078 /nfs/dbraw/zinc/33/20/78/221332078.db2.gz CHUIUOLQNPLLGK-JOCHJYFZSA-N 1 3 397.607 3.953 50 0 GHAAHO CN1CCC(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077742 221332080 /nfs/dbraw/zinc/33/20/80/221332080.db2.gz CHUIUOLQNPLLGK-JOCHJYFZSA-N 1 3 397.607 3.953 50 0 GHAAHO COc1cc(CN2CCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000095519623 222347094 /nfs/dbraw/zinc/34/70/94/222347094.db2.gz HXWJMKPVJODLFG-NRFANRHFSA-N 1 3 390.568 3.685 50 0 GHAAHO COc1cc(CN2CCCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095519623 222347097 /nfs/dbraw/zinc/34/70/97/222347097.db2.gz HXWJMKPVJODLFG-NRFANRHFSA-N 1 3 390.568 3.685 50 0 GHAAHO CCOc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019842313 570225134 /nfs/dbraw/zinc/22/51/34/570225134.db2.gz WHUSAFQYOHHGSE-UHFFFAOYSA-N 1 3 393.575 3.868 50 0 GHAAHO COc1cc(C[NH2+]CCCC2CCCC2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000011946948 221140754 /nfs/dbraw/zinc/14/07/54/221140754.db2.gz XQKIXQGZBOTPLD-NRFANRHFSA-N 1 3 390.568 3.591 50 0 GHAAHO COc1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012307747 221179320 /nfs/dbraw/zinc/17/93/20/221179320.db2.gz FJQFSQVHKISKLZ-HXUWFJFHSA-N 1 3 383.511 3.963 50 0 GHAAHO COc1cc(F)ccc1C[N@H+]1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012307747 221179324 /nfs/dbraw/zinc/17/93/24/221179324.db2.gz FJQFSQVHKISKLZ-HXUWFJFHSA-N 1 3 383.511 3.963 50 0 GHAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2cnn(C(C)C)c2)CC1 ZINC000012209902 221168393 /nfs/dbraw/zinc/16/83/93/221168393.db2.gz HTSQSUXFPPMLMW-UHFFFAOYSA-N 1 3 384.568 3.859 50 0 GHAAHO CC(C)CC[NH2+]Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000012597311 221213167 /nfs/dbraw/zinc/21/31/67/221213167.db2.gz RMJFOFWLGOEFFU-HSZRJFAPSA-N 1 3 382.548 3.620 50 0 GHAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000012710192 221218959 /nfs/dbraw/zinc/21/89/59/221218959.db2.gz STUHIBFYWDTVLN-HSZRJFAPSA-N 1 3 382.548 3.981 50 0 GHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCC1 ZINC000015074789 221330727 /nfs/dbraw/zinc/33/07/27/221330727.db2.gz BMDOAQGWNVGLHJ-LJQANCHMSA-N 1 3 387.543 3.538 50 0 GHAAHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253211 222065161 /nfs/dbraw/zinc/06/51/61/222065161.db2.gz SBTHFGATVMPKFR-PMACEKPBSA-N 1 3 384.568 3.975 50 0 GHAAHO CN(Cc1cnc[nH]1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095520966 222347046 /nfs/dbraw/zinc/34/70/46/222347046.db2.gz JKZYXVLGTDZLBP-UHFFFAOYSA-N 1 3 380.458 3.815 50 0 GHAAHO CN(C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000020146374 570244108 /nfs/dbraw/zinc/24/41/08/570244108.db2.gz QGUKEMONVVGBIP-OAQYLSRUSA-N 1 3 383.580 3.645 50 0 GHAAHO CC(C)(C)NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000023367449 570357222 /nfs/dbraw/zinc/35/72/22/570357222.db2.gz ZIBGNFZUUKIRJQ-UHFFFAOYSA-N 1 3 385.596 3.710 50 0 GHAAHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000058174146 570715946 /nfs/dbraw/zinc/71/59/46/570715946.db2.gz QRQJQLJLGUHPAB-OAQYLSRUSA-N 1 3 386.584 3.557 50 0 GHAAHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000058174146 570715949 /nfs/dbraw/zinc/71/59/49/570715949.db2.gz QRQJQLJLGUHPAB-OAQYLSRUSA-N 1 3 386.584 3.557 50 0 GHAAHO C[N@@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823634 /nfs/dbraw/zinc/82/36/34/529823634.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 1 3 397.950 3.581 50 0 GHAAHO C[N@H+]1C[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823636 /nfs/dbraw/zinc/82/36/36/529823636.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 1 3 397.950 3.581 50 0 GHAAHO CN(C)c1ncc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)s1 ZINC000011775194 221124126 /nfs/dbraw/zinc/12/41/26/221124126.db2.gz MRFLVGPPWSIYAO-UHFFFAOYSA-N 1 3 390.572 3.735 50 0 GHAAHO COc1cc(C[NH2+]CCCC2CCCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000011946957 221140897 /nfs/dbraw/zinc/14/08/97/221140897.db2.gz XQKIXQGZBOTPLD-OAQYLSRUSA-N 1 3 390.568 3.591 50 0 GHAAHO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000011953159 221140922 /nfs/dbraw/zinc/14/09/22/221140922.db2.gz AVIQNLZGNWECIT-NRFANRHFSA-N 1 3 390.568 3.733 50 0 GHAAHO CN1CCC([NH+]2CCC(CN(Cc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012305157 221177630 /nfs/dbraw/zinc/17/76/30/221177630.db2.gz GKKLMDRZWSRCCL-UHFFFAOYSA-N 1 3 392.591 3.890 50 0 GHAAHO CC(C)CC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000012597308 221212970 /nfs/dbraw/zinc/21/29/70/221212970.db2.gz RMJFOFWLGOEFFU-QHCPKHFHSA-N 1 3 382.548 3.620 50 0 GHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CC(C)(C)C ZINC000012701276 221217913 /nfs/dbraw/zinc/21/79/13/221217913.db2.gz KUZUAVOJCXZLCG-IBGZPJMESA-N 1 3 391.575 3.864 50 0 GHAAHO CCn1cc(C[N@H+](CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)cn1 ZINC000014962182 221321992 /nfs/dbraw/zinc/32/19/92/221321992.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 1 3 384.568 3.688 50 0 GHAAHO CCn1cc(C[N@@H+](CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)cn1 ZINC000014962182 221321994 /nfs/dbraw/zinc/32/19/94/221321994.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 1 3 384.568 3.688 50 0 GHAAHO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000014979581 221323554 /nfs/dbraw/zinc/32/35/54/221323554.db2.gz VVIUMCRPPKRXNM-FQEVSTJZSA-N 1 3 387.568 3.795 50 0 GHAAHO O=C(N[C@H]1CCC[N@H+](C2CCCCCC2)C1)C1CCN(Cc2ccco2)CC1 ZINC000014979581 221323556 /nfs/dbraw/zinc/32/35/56/221323556.db2.gz VVIUMCRPPKRXNM-FQEVSTJZSA-N 1 3 387.568 3.795 50 0 GHAAHO CCCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(Cc3cccnc3)CC2)[C@H]1O ZINC000019148952 221399603 /nfs/dbraw/zinc/39/96/03/221399603.db2.gz JCYMKDRTWBLMFX-PKTZIBPZSA-N 1 3 379.548 3.763 50 0 GHAAHO CCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(Cc3cccnc3)CC2)[C@H]1O ZINC000019148952 221399605 /nfs/dbraw/zinc/39/96/05/221399605.db2.gz JCYMKDRTWBLMFX-PKTZIBPZSA-N 1 3 379.548 3.763 50 0 GHAAHO Cc1ncc2c(c1-c1noc(-c3ccc(C[NH+]4CCCCC4)cc3)n1)CCNC2 ZINC000019799111 570220211 /nfs/dbraw/zinc/22/02/11/570220211.db2.gz BDBQQDAKVSDERX-UHFFFAOYSA-N 1 3 389.503 3.739 50 0 GHAAHO O[C@H]1[C@H]([N@H+]2CC=CCC2)c2ccccc2C12CCN(Cc1cccs1)CC2 ZINC000020599773 570269558 /nfs/dbraw/zinc/26/95/58/570269558.db2.gz JXQXLTODZMFASW-YADHBBJMSA-N 1 3 380.557 3.959 50 0 GHAAHO O[C@H]1[C@H]([N@@H+]2CC=CCC2)c2ccccc2C12CCN(Cc1cccs1)CC2 ZINC000020599773 570269559 /nfs/dbraw/zinc/26/95/59/570269559.db2.gz JXQXLTODZMFASW-YADHBBJMSA-N 1 3 380.557 3.959 50 0 GHAAHO C[C@@H]1CCC[N@H+](CCOc2ccccc2CN2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127388 570296007 /nfs/dbraw/zinc/29/60/07/570296007.db2.gz MRKLCNOAYIHMPJ-LJQANCHMSA-N 1 3 382.552 3.900 50 0 GHAAHO C[C@@H]1CCC[N@@H+](CCOc2ccccc2CN2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127388 570296008 /nfs/dbraw/zinc/29/60/08/570296008.db2.gz MRKLCNOAYIHMPJ-LJQANCHMSA-N 1 3 382.552 3.900 50 0 GHAAHO CC(=O)NC1CC[NH+](C[C@@H](CN(C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138578 570951228 /nfs/dbraw/zinc/95/12/28/570951228.db2.gz HCPZFRNYIFWLBH-HSZRJFAPSA-N 1 3 379.548 3.503 50 0 GHAAHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000107543073 570974512 /nfs/dbraw/zinc/97/45/12/570974512.db2.gz ISDVVXGHEAQOSG-QAPCUYQASA-N 1 3 385.474 3.747 50 0 GHAAHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000107543073 570974516 /nfs/dbraw/zinc/97/45/16/570974516.db2.gz ISDVVXGHEAQOSG-QAPCUYQASA-N 1 3 385.474 3.747 50 0 GHAAHO Cc1nnc([C@H]2C[N@@H+](CC(C)C)CC23CCN(CCOc2ccccc2)CC3)o1 ZINC000675015015 840884295 /nfs/dbraw/zinc/88/42/95/840884295.db2.gz RVEVEVXWDHHXEZ-OAQYLSRUSA-N 1 3 398.551 3.594 50 0 GHAAHO Cc1nnc([C@H]2C[N@H+](CC(C)C)CC23CCN(CCOc2ccccc2)CC3)o1 ZINC000675015015 840884300 /nfs/dbraw/zinc/88/43/00/840884300.db2.gz RVEVEVXWDHHXEZ-OAQYLSRUSA-N 1 3 398.551 3.594 50 0 GHAAHO CN(C(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000230237268 861751350 /nfs/dbraw/zinc/75/13/50/861751350.db2.gz XXWRUWGTPKPTDN-QPTUXGOLSA-N 1 3 391.559 3.930 50 0 GHAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCC3(CCCC3)C2)cc1OC ZINC000095498901 222331550 /nfs/dbraw/zinc/33/15/50/222331550.db2.gz UODKFSVBVSHZCM-HXUWFJFHSA-N 1 3 390.568 3.543 50 0 GHAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCC3(CCCC3)C2)ccc1OC ZINC000095505530 222337842 /nfs/dbraw/zinc/33/78/42/222337842.db2.gz OSKFXDNLEWOWSW-HXUWFJFHSA-N 1 3 390.568 3.543 50 0 GHAAHO CCn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012049414 858682138 /nfs/dbraw/zinc/68/21/38/858682138.db2.gz IGZMSFRSEOBSFZ-QHCPKHFHSA-N 1 3 388.600 3.847 50 0 GHAAHO CSCCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012477979 859335793 /nfs/dbraw/zinc/33/57/93/859335793.db2.gz DNZXQWFMLDAUDS-HXUWFJFHSA-N 1 3 395.657 3.709 50 0 GHAAHO CSCCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012477979 859335800 /nfs/dbraw/zinc/33/58/00/859335800.db2.gz DNZXQWFMLDAUDS-HXUWFJFHSA-N 1 3 395.657 3.709 50 0 GHAAHO COCCN(Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1)C(C)C ZINC000012209103 221168422 /nfs/dbraw/zinc/16/84/22/221168422.db2.gz NSTLNQVSZDLUIT-QFIPXVFZSA-N 1 3 392.584 3.548 50 0 GHAAHO COCCN(Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1)C(C)C ZINC000012209103 221168424 /nfs/dbraw/zinc/16/84/24/221168424.db2.gz NSTLNQVSZDLUIT-QFIPXVFZSA-N 1 3 392.584 3.548 50 0 GHAAHO CSc1ncc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000055226968 222018273 /nfs/dbraw/zinc/01/82/73/222018273.db2.gz LOSFHVMFTSGUID-UHFFFAOYSA-N 1 3 388.556 3.724 50 0 GHAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnc[nH]2)C[C@H]2CCCO2)CC1 ZINC000011936550 570594221 /nfs/dbraw/zinc/59/42/21/570594221.db2.gz UTFKQUXJHTZDHU-HSZRJFAPSA-N 1 3 382.552 3.611 50 0 GHAAHO COCC[NH+]1CCC(CN(Cc2ccc(Cl)s2)C[C@H]2CCCO2)CC1 ZINC000015077205 221331181 /nfs/dbraw/zinc/33/11/81/221331181.db2.gz TWLRRYLXJRLYEK-QGZVFWFLSA-N 1 3 386.989 3.741 50 0 GHAAHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000020453304 570257764 /nfs/dbraw/zinc/25/77/64/570257764.db2.gz NHXZZRMOQDLELO-AWEZNQCLSA-N 1 3 395.473 3.759 50 0 GHAAHO c1c(COc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)nc2ccccn12 ZINC000022820929 570330003 /nfs/dbraw/zinc/33/00/03/570330003.db2.gz MJFXNVZOHTWYRJ-UHFFFAOYSA-N 1 3 376.504 3.630 50 0 GHAAHO O=C(NCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015071470 221330471 /nfs/dbraw/zinc/33/04/71/221330471.db2.gz FUXOBWAKANHNQA-JOCHJYFZSA-N 1 3 383.580 3.669 50 0 GHAAHO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000015071470 221330473 /nfs/dbraw/zinc/33/04/73/221330473.db2.gz FUXOBWAKANHNQA-JOCHJYFZSA-N 1 3 383.580 3.669 50 0 GHAAHO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000015071470 221330476 /nfs/dbraw/zinc/33/04/76/221330476.db2.gz FUXOBWAKANHNQA-JOCHJYFZSA-N 1 3 383.580 3.669 50 0 GHAAHO C[C@@H]1CCC[N@H+](CCOc2ccc(CNCc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211997 222017536 /nfs/dbraw/zinc/01/75/36/222017536.db2.gz IWEKLEIKWOMILL-GOSISDBHSA-N 1 3 382.504 3.816 50 0 GHAAHO C[C@@H]1CCC[N@@H+](CCOc2ccc(CNCc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211997 222017541 /nfs/dbraw/zinc/01/75/41/222017541.db2.gz IWEKLEIKWOMILL-GOSISDBHSA-N 1 3 382.504 3.816 50 0 GHAAHO C[C@@H](C1CCN(Cc2ccc(-c3ccccn3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000065406156 222127478 /nfs/dbraw/zinc/12/74/78/222127478.db2.gz COMVBQWZXFQKOB-FQEVSTJZSA-N 1 3 378.564 3.597 50 0 GHAAHO C[C@@H](C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1)N1CCN(C)CC1 ZINC000065406156 222127481 /nfs/dbraw/zinc/12/74/81/222127481.db2.gz COMVBQWZXFQKOB-FQEVSTJZSA-N 1 3 378.564 3.597 50 0 GHAAHO CCOc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000067453074 222147388 /nfs/dbraw/zinc/14/73/88/222147388.db2.gz HYUGKXWPCQCSBS-IYBDPMFKSA-N 1 3 384.948 3.726 50 0 GHAAHO [NH3+]CCc1ccc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000072424057 222259292 /nfs/dbraw/zinc/25/92/92/222259292.db2.gz HSSQCGILMYJBJZ-UHFFFAOYSA-N 1 3 378.438 3.690 50 0 GHAAHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000240897320 570431328 /nfs/dbraw/zinc/43/13/28/570431328.db2.gz ISDVVXGHEAQOSG-YJBOKZPZSA-N 1 3 385.474 3.747 50 0 GHAAHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000240897320 570431331 /nfs/dbraw/zinc/43/13/31/570431331.db2.gz ISDVVXGHEAQOSG-YJBOKZPZSA-N 1 3 385.474 3.747 50 0 GHAAHO CC1=C(CCN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000019227770 570964531 /nfs/dbraw/zinc/96/45/31/570964531.db2.gz TZRBFSXMMIPFDZ-DHIUTWEWSA-N 1 3 385.596 3.908 50 0 GHAAHO CC1=C(CCN2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000019227770 570964534 /nfs/dbraw/zinc/96/45/34/570964534.db2.gz TZRBFSXMMIPFDZ-DHIUTWEWSA-N 1 3 385.596 3.908 50 0 GHAAHO C[C@@H](CCc1c[nH]c2ccccc12)[NH+]1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000020995608 919677498 /nfs/dbraw/zinc/67/74/98/919677498.db2.gz ZPYOEFCIYNDCEU-INIZCTEOSA-N 1 3 380.540 3.611 50 0 GHAAHO C[C@H](NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)C1CC1 ZINC000012469298 221197941 /nfs/dbraw/zinc/19/79/41/221197941.db2.gz UHYZRWDLDAJZMO-FQEVSTJZSA-N 1 3 397.607 3.710 50 0 GHAAHO c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nonc12 ZINC000012703195 221219039 /nfs/dbraw/zinc/21/90/39/221219039.db2.gz PVKGSKRMVOBPSV-NRFANRHFSA-N 1 3 398.551 3.858 50 0 GHAAHO CC1(C)CC([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC(C)(C)N1 ZINC000063846192 136156598 /nfs/dbraw/zinc/15/65/98/136156598.db2.gz NUGZPKUJHYFOEK-UHFFFAOYSA-N 1 3 381.568 3.740 50 0 GHAAHO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761507 222005762 /nfs/dbraw/zinc/00/57/62/222005762.db2.gz QKBWJQNZGRWKIT-QGZVFWFLSA-N 1 3 398.551 3.660 50 0 GHAAHO CC(C)CC(=O)N1CCC2(CCN(CC3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000072164986 222215135 /nfs/dbraw/zinc/21/51/35/222215135.db2.gz OCXARHGROIIPJH-UHFFFAOYSA-N 1 3 377.617 3.858 50 0 GHAAHO CC[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2n(CCN(C)C)c1=O ZINC000014887014 919345921 /nfs/dbraw/zinc/34/59/21/919345921.db2.gz AGGBUDZWKRRPEY-UHFFFAOYSA-N 1 3 377.532 3.894 50 0 GHAAHO CC[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2n(CCN(C)C)c1=O ZINC000014887014 919345939 /nfs/dbraw/zinc/34/59/39/919345939.db2.gz AGGBUDZWKRRPEY-UHFFFAOYSA-N 1 3 377.532 3.894 50 0 GHAAHO O=C(c1ccoc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012578490 221210466 /nfs/dbraw/zinc/21/04/66/221210466.db2.gz UFAWRJXSCKONBN-HXUWFJFHSA-N 1 3 387.568 3.862 50 0 GHAAHO O=C(c1ccoc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012578490 221210467 /nfs/dbraw/zinc/21/04/67/221210467.db2.gz UFAWRJXSCKONBN-HXUWFJFHSA-N 1 3 387.568 3.862 50 0 GHAAHO CCn1cc(C[N@H+](CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)cn1 ZINC000014962178 221321714 /nfs/dbraw/zinc/32/17/14/221321714.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 1 3 384.568 3.688 50 0 GHAAHO CCn1cc(C[N@@H+](CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)cn1 ZINC000014962178 221321717 /nfs/dbraw/zinc/32/17/17/221321717.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 1 3 384.568 3.688 50 0 GHAAHO O=C(c1cc[nH]c1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095530773 222353006 /nfs/dbraw/zinc/35/30/06/222353006.db2.gz YWYKKISNHBEOIO-HXUWFJFHSA-N 1 3 386.584 3.597 50 0 GHAAHO O=C(c1cc[nH]c1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095530773 222353009 /nfs/dbraw/zinc/35/30/09/222353009.db2.gz YWYKKISNHBEOIO-HXUWFJFHSA-N 1 3 386.584 3.597 50 0 GHAAHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C[C@@H]3CO)CC2)s1 ZINC000097425016 570243817 /nfs/dbraw/zinc/24/38/17/570243817.db2.gz FORISTLTXGKYOG-HXUWFJFHSA-N 1 3 385.577 3.548 50 0 GHAAHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000089904813 570919193 /nfs/dbraw/zinc/91/91/93/570919193.db2.gz ISDVVXGHEAQOSG-CRAIPNDOSA-N 1 3 385.474 3.747 50 0 GHAAHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000089904813 570919195 /nfs/dbraw/zinc/91/91/95/570919195.db2.gz ISDVVXGHEAQOSG-CRAIPNDOSA-N 1 3 385.474 3.747 50 0 GHAAHO O=C(CC[C@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1)NC1CC1 ZINC000015066329 919356869 /nfs/dbraw/zinc/35/68/69/919356869.db2.gz ZQOJBHURTFZSGP-QGZVFWFLSA-N 1 3 375.582 3.615 50 0 GHAAHO [NH3+]CC[C@H]1CN(C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCO1 ZINC000020363398 919633455 /nfs/dbraw/zinc/63/34/55/919633455.db2.gz BMUPDBYRWBIJJE-QHCPKHFHSA-N 1 3 383.511 3.511 50 0 GHAAHO CN(C)C[C@@H](O)COc1ccc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074921 221148303 /nfs/dbraw/zinc/14/83/03/221148303.db2.gz MWJMKKNHIBAEGP-JOFGVTMCSA-N 1 3 386.580 3.636 50 0 GHAAHO CN(C)C[C@@H](O)COc1ccc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074921 221148306 /nfs/dbraw/zinc/14/83/06/221148306.db2.gz MWJMKKNHIBAEGP-JOFGVTMCSA-N 1 3 386.580 3.636 50 0 GHAAHO Cc1cccc(CNCc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000014958193 221320993 /nfs/dbraw/zinc/32/09/93/221320993.db2.gz ANVUOSOFGAYPHC-HSZRJFAPSA-N 1 3 382.548 3.901 50 0 GHAAHO c1sc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1CN1CCCC1 ZINC000215977817 570293950 /nfs/dbraw/zinc/29/39/50/570293950.db2.gz NWHDRKGRKFUQTG-SFHVURJKSA-N 1 3 381.549 3.766 50 0 GHAAHO c1sc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1CN1CCCC1 ZINC000215977817 570293951 /nfs/dbraw/zinc/29/39/51/570293951.db2.gz NWHDRKGRKFUQTG-SFHVURJKSA-N 1 3 381.549 3.766 50 0 GHAAHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000241326093 570686513 /nfs/dbraw/zinc/68/65/13/570686513.db2.gz LZGGPDVYWLRCKW-HMXCVIKNSA-N 1 3 385.556 3.518 50 0 GHAAHO O=C(C[NH+]1CCCCCC1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012022703 858539542 /nfs/dbraw/zinc/53/95/42/858539542.db2.gz RMBYCTBPJJWXIH-QHCPKHFHSA-N 1 3 387.543 3.516 50 0 GHAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438875 221194773 /nfs/dbraw/zinc/19/47/73/221194773.db2.gz OJBZWMJIDJFGBP-OAHLLOKOSA-N 1 3 386.462 3.585 50 0 GHAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438875 221194775 /nfs/dbraw/zinc/19/47/75/221194775.db2.gz OJBZWMJIDJFGBP-OAHLLOKOSA-N 1 3 386.462 3.585 50 0 GHAAHO CCCn1cc(CN(C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c(C)n1 ZINC000012576445 221208415 /nfs/dbraw/zinc/20/84/15/221208415.db2.gz XLAQWKZQOVTYEO-UHFFFAOYSA-N 1 3 398.595 3.997 50 0 GHAAHO CCCCN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014972979 221321355 /nfs/dbraw/zinc/32/13/55/221321355.db2.gz HBLRWHLMJMAOTO-JOCHJYFZSA-N 1 3 397.607 3.589 50 0 GHAAHO CCCCNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015078804 221333096 /nfs/dbraw/zinc/33/30/96/221333096.db2.gz LCGGCXOUDLSLDR-UHFFFAOYSA-N 1 3 385.596 3.712 50 0 GHAAHO