smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012075491 845852247 /nfs/dbraw/zinc/85/22/47/845852247.db2.gz VXNOOYQFUPMOAR-JOCHJYFZSA-N 2 0 404.595 4.123 50 0 HIAARP CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](CC(C)(C)C)CCO3)C1 ZINC000012149167 845856092 /nfs/dbraw/zinc/85/60/92/845856092.db2.gz DTHDHEICRBWURC-OAQYLSRUSA-N 2 0 415.622 4.008 50 0 HIAARP Cc1cccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000012449444 845871444 /nfs/dbraw/zinc/87/14/44/845871444.db2.gz AIZTVZTTXBRUDY-UHFFFAOYSA-N 2 0 406.618 4.198 50 0 HIAARP Cc1ccc(F)cc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014954970 845994885 /nfs/dbraw/zinc/99/48/85/845994885.db2.gz HLLFVAQJJRZLRK-VWLOTQADSA-N 2 0 422.544 4.296 50 0 HIAARP COc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000014974002 845995869 /nfs/dbraw/zinc/99/58/69/845995869.db2.gz CBMSABBBJIWILF-QFIPXVFZSA-N 2 0 404.570 4.470 50 0 HIAARP Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000020118409 846381079 /nfs/dbraw/zinc/38/10/79/846381079.db2.gz BXGIZXMCWIZONF-VWLOTQADSA-N 2 0 424.564 4.416 50 0 HIAARP CC(C)Oc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174385 854233130 /nfs/dbraw/zinc/23/31/30/854233130.db2.gz GGJADLQDKGEJAP-OAQYLSRUSA-N 2 0 412.578 4.292 50 0 HIAARP [NH3+]C[C@H]1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072448242 527232820 /nfs/dbraw/zinc/23/28/20/527232820.db2.gz BZAQCYFGZVLSFU-OAHLLOKOSA-N 2 0 409.917 4.455 50 0 HIAARP O=C(c1ccccc1)c1cc[n+](CCCC[n+]2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000002952957 557430381 /nfs/dbraw/zinc/43/03/81/557430381.db2.gz IFITWPSHCZOYIU-UHFFFAOYSA-N 2 0 422.528 4.204 50 0 HIAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)C1CCCCC1 ZINC000011814829 558279036 /nfs/dbraw/zinc/27/90/36/558279036.db2.gz JQDOZRMJVOELKK-DEOSSOPVSA-N 2 0 414.565 4.162 50 0 HIAARP OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000012594429 558437211 /nfs/dbraw/zinc/43/72/11/558437211.db2.gz SVFKDWLFORJZLO-QHCPKHFHSA-N 2 0 402.579 4.300 50 0 HIAARP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1csc(C)n1 ZINC000023763441 558575236 /nfs/dbraw/zinc/57/52/36/558575236.db2.gz RAPWNPNTJFIMNZ-UHFFFAOYSA-N 2 0 403.592 4.438 50 0 HIAARP Fc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000014887038 558677596 /nfs/dbraw/zinc/67/75/96/558677596.db2.gz KBUPEMBXGWSAFS-IBGZPJMESA-N 2 0 400.567 4.183 50 0 HIAARP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)C1 ZINC000015069448 558711752 /nfs/dbraw/zinc/71/17/52/558711752.db2.gz VKWAKOXHCYBZOF-NRFANRHFSA-N 2 0 415.622 4.132 50 0 HIAARP COc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606821 569244767 /nfs/dbraw/zinc/24/47/67/569244767.db2.gz DLCKJWFNVVVZBL-FGZHOGPDSA-N 2 0 417.594 4.067 50 0 HIAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000170639711 569281382 /nfs/dbraw/zinc/28/13/82/569281382.db2.gz WZOZSPVNJGEACT-JOCHJYFZSA-N 2 0 401.595 4.087 50 0 HIAARP c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nsnc12 ZINC000011956493 845842802 /nfs/dbraw/zinc/84/28/02/845842802.db2.gz LXFQAGCGSJDVPF-NRFANRHFSA-N 2 0 414.619 4.327 50 0 HIAARP O=C(CCC1CC[NH+](Cc2ccsc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012315772 845866803 /nfs/dbraw/zinc/86/68/03/845866803.db2.gz MCBCCLBUWGFXCE-QHCPKHFHSA-N 2 0 411.615 4.131 50 0 HIAARP COc1ccccc1-n1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cn1 ZINC000015074981 846006815 /nfs/dbraw/zinc/00/68/15/846006815.db2.gz BUKSXJMXKIMALG-UHFFFAOYSA-N 2 0 408.546 4.126 50 0 HIAARP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252672158 854204714 /nfs/dbraw/zinc/20/47/14/854204714.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 2 0 405.586 4.024 50 0 HIAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012516847 132361476 /nfs/dbraw/zinc/36/14/76/132361476.db2.gz SPYMVYOYYQIDSH-OAQYLSRUSA-N 2 0 420.601 4.390 50 0 HIAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4c5ccccc5sc43)C[C@@H]2CCO)CC1 ZINC000020540704 523772108 /nfs/dbraw/zinc/77/21/08/523772108.db2.gz NNUZFYUESKQPDN-NRFANRHFSA-N 2 0 423.626 4.017 50 0 HIAARP O=C(CCC1CC[NH+](Cc2ccccc2F)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011878911 558293407 /nfs/dbraw/zinc/29/34/07/558293407.db2.gz MNAWKCDGDLOPET-XMMPIXPASA-N 2 0 423.576 4.209 50 0 HIAARP Cc1ccc(C[NH+](C)Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)o1 ZINC000011997737 558307220 /nfs/dbraw/zinc/30/72/20/558307220.db2.gz MRVWJWWZOXIDKV-HSZRJFAPSA-N 2 0 408.542 4.092 50 0 HIAARP COc1ccc(C[N@H+](C)CCCC2CCCC2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012574896 558430696 /nfs/dbraw/zinc/43/06/96/558430696.db2.gz UGQJHZRQYZJXFJ-JOCHJYFZSA-N 2 0 406.611 4.177 50 0 HIAARP COc1ccc(-c2noc(C[N@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000012597422 558438364 /nfs/dbraw/zinc/43/83/64/558438364.db2.gz BWNOVXXUHGDEFN-UHFFFAOYSA-N 2 0 406.530 4.089 50 0 HIAARP COc1cc(C[N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)c(Cl)cc1O ZINC000012705750 558449898 /nfs/dbraw/zinc/44/98/98/558449898.db2.gz MABNDKKJINQMPL-UHFFFAOYSA-N 2 0 402.966 4.441 50 0 HIAARP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055182668 558875001 /nfs/dbraw/zinc/87/50/01/558875001.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 2 0 423.601 4.430 50 0 HIAARP Cc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)on1 ZINC000095502634 559082645 /nfs/dbraw/zinc/08/26/45/559082645.db2.gz HBHAXFXWADODLQ-NRFANRHFSA-N 2 0 401.526 4.015 50 0 HIAARP COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011817125 559260416 /nfs/dbraw/zinc/26/04/16/559260416.db2.gz YBMCGBJDCMGVRW-QFIPXVFZSA-N 2 0 404.595 4.123 50 0 HIAARP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047778198 568431323 /nfs/dbraw/zinc/43/13/23/568431323.db2.gz XLBCONRHQVJWON-KDURUIRLSA-N 2 0 412.574 4.480 50 0 HIAARP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000230114684 568847630 /nfs/dbraw/zinc/84/76/30/568847630.db2.gz NRUMFMLCAIUGMB-NZQKXSOJSA-N 2 0 424.589 4.148 50 0 HIAARP O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000058172476 568896257 /nfs/dbraw/zinc/89/62/57/568896257.db2.gz OEHLYCRBMCOAGU-UHFFFAOYSA-N 2 0 413.565 4.146 50 0 HIAARP CC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000004644787 569255494 /nfs/dbraw/zinc/25/54/94/569255494.db2.gz UROGBLCMTWAODF-UHFFFAOYSA-N 2 0 424.626 4.252 50 0 HIAARP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000089929810 569268955 /nfs/dbraw/zinc/26/89/55/569268955.db2.gz JOTUMZQZYDQGNL-RXVVDRJESA-N 2 0 414.619 4.082 50 0 HIAARP Cc1c(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]c2c1cccc2C ZINC000011813381 845836038 /nfs/dbraw/zinc/83/60/38/845836038.db2.gz ZKLGSBKHDVEKDH-OAQYLSRUSA-N 2 0 424.633 4.330 50 0 HIAARP CCN1CCC([N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747614 845888681 /nfs/dbraw/zinc/88/86/81/845888681.db2.gz BCCRVAFQAMCAQG-AREMUKBSSA-N 2 0 413.650 4.172 50 0 HIAARP CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3ccccc3F)CC2)CC1 ZINC000019222219 846359162 /nfs/dbraw/zinc/35/91/62/846359162.db2.gz DDLZVMGIRGTZHC-UHFFFAOYSA-N 2 0 410.581 4.029 50 0 HIAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cccc(-n3cccn3)c2)CC1 ZINC000011934151 558298671 /nfs/dbraw/zinc/29/86/71/558298671.db2.gz LKHGUNAJAANNFP-UHFFFAOYSA-N 2 0 418.585 4.267 50 0 HIAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1cccc(F)c1)C1CCCCC1 ZINC000012052394 558314621 /nfs/dbraw/zinc/31/46/21/558314621.db2.gz DOBKVKURJCPNQV-XMMPIXPASA-N 2 0 414.565 4.162 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012112286 558326568 /nfs/dbraw/zinc/32/65/68/558326568.db2.gz RRYVGVCQXXSDGG-IZJILKLZSA-N 2 0 401.639 4.048 50 0 HIAARP C[N@@H+](Cc1cccn1-c1nccs1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012373718 558391021 /nfs/dbraw/zinc/39/10/21/558391021.db2.gz FSRDUIZSVZTHIB-UHFFFAOYSA-N 2 0 412.578 4.459 50 0 HIAARP C[N@H+](Cc1ccco1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)CCC3 ZINC000012457124 558417511 /nfs/dbraw/zinc/41/75/11/558417511.db2.gz KKRDAENCJLAMCC-UHFFFAOYSA-N 2 0 419.569 4.201 50 0 HIAARP O=C(CCC(F)(F)F)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014951127 558681029 /nfs/dbraw/zinc/68/10/29/558681029.db2.gz KCLVBRUYZNKTBT-IBGZPJMESA-N 2 0 417.560 4.298 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000015061747 558704803 /nfs/dbraw/zinc/70/48/03/558704803.db2.gz QVTIXPVCBGHYAY-OAQYLSRUSA-N 2 0 403.636 4.001 50 0 HIAARP C[NH+]1CCC(Oc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000067603668 558988176 /nfs/dbraw/zinc/98/81/76/558988176.db2.gz CGUWASDWLSJOMF-UHFFFAOYSA-N 2 0 407.558 4.010 50 0 HIAARP O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000079192064 569429343 /nfs/dbraw/zinc/42/93/43/569429343.db2.gz ZFWMBYGLLMRXMA-UKILVPOCSA-N 2 0 417.597 4.089 50 0 HIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000055271517 571315292 /nfs/dbraw/zinc/31/52/92/571315292.db2.gz FXUDEACXROXIBT-UHFFFAOYSA-N 2 0 421.507 4.461 50 0 HIAARP CCn1nc(C)c(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000011998330 845846534 /nfs/dbraw/zinc/84/65/34/845846534.db2.gz SLXVFGDPIWOHEV-UHFFFAOYSA-N 2 0 416.585 4.020 50 0 HIAARP COCc1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)ccc1OC ZINC000012457024 845872669 /nfs/dbraw/zinc/87/26/69/845872669.db2.gz XUZLXYZWGZHIOT-UHFFFAOYSA-N 2 0 414.565 4.367 50 0 HIAARP CSc1cccc(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000012204237 558352327 /nfs/dbraw/zinc/35/23/27/558352327.db2.gz IZSBKTKVNNWQGM-JOCHJYFZSA-N 2 0 414.615 4.314 50 0 HIAARP COc1ccc(C[N@H+](C)CCCC2CCCC2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012574891 558430559 /nfs/dbraw/zinc/43/05/59/558430559.db2.gz UGQJHZRQYZJXFJ-QFIPXVFZSA-N 2 0 406.611 4.177 50 0 HIAARP Cc1ccccc1-c1cccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)c1 ZINC000012586103 558434196 /nfs/dbraw/zinc/43/41/96/558434196.db2.gz RYLLNULOIKVPPX-UHFFFAOYSA-N 2 0 407.602 4.332 50 0 HIAARP CC[N@@H+](Cc1ccccc1OCCO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012590710 558435548 /nfs/dbraw/zinc/43/55/48/558435548.db2.gz PJTMOBXVVIAEPY-UHFFFAOYSA-N 2 0 410.602 4.143 50 0 HIAARP Cc1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000022925774 558523200 /nfs/dbraw/zinc/52/32/00/558523200.db2.gz ISMVFGRJHQUPSD-OAQYLSRUSA-N 2 0 404.668 4.394 50 0 HIAARP Cc1c(C[NH2+]CCC[NH2+]CCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000013733283 558587582 /nfs/dbraw/zinc/58/75/82/558587582.db2.gz XNFSWJHFMZQHHZ-UHFFFAOYSA-N 2 0 420.384 4.366 50 0 HIAARP O=C(CCC(F)(F)F)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014951121 558680943 /nfs/dbraw/zinc/68/09/43/558680943.db2.gz KCLVBRUYZNKTBT-LJQANCHMSA-N 2 0 417.560 4.298 50 0 HIAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1C[C@H]2C[C@@H]1CCC2 ZINC000014978277 558690179 /nfs/dbraw/zinc/69/01/79/558690179.db2.gz ZEPMVGMFUIKDEV-BVAGGSTKSA-N 2 0 423.645 4.197 50 0 HIAARP COc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012057276 845851204 /nfs/dbraw/zinc/85/12/04/845851204.db2.gz GPODTEDHBROAMS-QHCPKHFHSA-N 2 0 422.569 4.218 50 0 HIAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012075488 845852226 /nfs/dbraw/zinc/85/22/26/845852226.db2.gz VXNOOYQFUPMOAR-QFIPXVFZSA-N 2 0 404.595 4.123 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2nc3c(s2)CCCC3)CC2CC[NH+](C)CC2)cc1 ZINC000012589941 845878559 /nfs/dbraw/zinc/87/85/59/845878559.db2.gz ABRXWOYGLGZIOP-UHFFFAOYSA-N 2 0 413.631 4.417 50 0 HIAARP C[N@H+](Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228946 846359891 /nfs/dbraw/zinc/35/98/91/846359891.db2.gz UVDSIRRLJPLJQW-VWLOTQADSA-N 2 0 420.597 4.105 50 0 HIAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Br)c1OCc1ccccc1 ZINC000010434557 557862096 /nfs/dbraw/zinc/86/20/96/557862096.db2.gz PWYVDWWEDBJPMP-UHFFFAOYSA-N 2 0 419.363 4.126 50 0 HIAARP CC[N@@H+](Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011662904 558266453 /nfs/dbraw/zinc/26/64/53/558266453.db2.gz SXLGFFKWAAGNHY-UHFFFAOYSA-N 2 0 412.647 4.438 50 0 HIAARP O[C@H](COc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000011763534 558273587 /nfs/dbraw/zinc/27/35/87/558273587.db2.gz AAQZDHPINGIJAT-FQEVSTJZSA-N 2 0 422.491 4.221 50 0 HIAARP Cc1ccc(C[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)o1 ZINC000012313805 558377164 /nfs/dbraw/zinc/37/71/64/558377164.db2.gz WDLUYEZDSBROSU-JOCHJYFZSA-N 2 0 400.563 4.224 50 0 HIAARP OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000012594425 558436918 /nfs/dbraw/zinc/43/69/18/558436918.db2.gz SVFKDWLFORJZLO-HSZRJFAPSA-N 2 0 402.579 4.300 50 0 HIAARP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708805 /nfs/dbraw/zinc/70/88/05/558708805.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 2 0 409.574 4.040 50 0 HIAARP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000089913770 569268305 /nfs/dbraw/zinc/26/83/05/569268305.db2.gz BDOCSKCVRPIRPT-HXUWFJFHSA-N 2 0 424.589 4.107 50 0 HIAARP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000078480225 571313457 /nfs/dbraw/zinc/31/34/57/571313457.db2.gz NRUMFMLCAIUGMB-REWPJTCUSA-N 2 0 424.589 4.148 50 0 HIAARP Cc1cnccc1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000011661455 845823423 /nfs/dbraw/zinc/82/34/23/845823423.db2.gz LJKWUHZWJJNQKJ-DEOSSOPVSA-N 2 0 411.590 4.026 50 0 HIAARP COc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000014974005 845995794 /nfs/dbraw/zinc/99/57/94/845995794.db2.gz CBMSABBBJIWILF-JOCHJYFZSA-N 2 0 404.570 4.470 50 0 HIAARP Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000020118411 846381452 /nfs/dbraw/zinc/38/14/52/846381452.db2.gz BXGIZXMCWIZONF-RUZDIDTESA-N 2 0 424.564 4.416 50 0 HIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280591 /nfs/dbraw/zinc/28/05/91/558280591.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 2 0 409.574 4.040 50 0 HIAARP COc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011838844 558285596 /nfs/dbraw/zinc/28/55/96/558285596.db2.gz FDHNEKDPDDRGRC-HSZRJFAPSA-N 2 0 404.570 4.470 50 0 HIAARP CCn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000011937197 558301103 /nfs/dbraw/zinc/30/11/03/558301103.db2.gz JLXNDINUQOSVFY-NRFANRHFSA-N 2 0 424.633 4.206 50 0 HIAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C2CCN(C)CC2)CC1 ZINC000020212011 558347857 /nfs/dbraw/zinc/34/78/57/558347857.db2.gz RMYDAQGCLZLKMM-UHFFFAOYSA-N 2 0 406.618 4.198 50 0 HIAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cccn2-c2nccs2)CC1 ZINC000012716540 558455489 /nfs/dbraw/zinc/45/54/89/558455489.db2.gz CUTJVAJYDCJOMR-UHFFFAOYSA-N 2 0 424.614 4.329 50 0 HIAARP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708773 /nfs/dbraw/zinc/70/87/73/558708773.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 2 0 409.574 4.040 50 0 HIAARP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000230068516 568805781 /nfs/dbraw/zinc/80/57/81/568805781.db2.gz JOTUMZQZYDQGNL-WIYYLYMNSA-N 2 0 414.619 4.082 50 0 HIAARP O[C@@H](COc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000011763525 558273563 /nfs/dbraw/zinc/27/35/63/558273563.db2.gz AAQZDHPINGIJAT-HXUWFJFHSA-N 2 0 422.491 4.221 50 0 HIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CC[NH+](C)CC1 ZINC000011842907 558287913 /nfs/dbraw/zinc/28/79/13/558287913.db2.gz OORXKGNSWLECSR-OAQYLSRUSA-N 2 0 423.601 4.491 50 0 HIAARP CCCCc1ncc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000011935745 558299718 /nfs/dbraw/zinc/29/97/18/558299718.db2.gz RAAKCQMZQHMIID-UHFFFAOYSA-N 2 0 416.585 4.252 50 0 HIAARP Cn1cc(C[N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000012385355 558394250 /nfs/dbraw/zinc/39/42/50/558394250.db2.gz MFNWZIBVYYOMJV-UHFFFAOYSA-N 2 0 402.586 4.474 50 0 HIAARP c1cc2c(c(C[N@H+](C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c1)OCO2 ZINC000012439454 558410900 /nfs/dbraw/zinc/41/09/00/558410900.db2.gz MYAHPKWXQVCGBS-QFIPXVFZSA-N 2 0 400.563 4.051 50 0 HIAARP CC[N@@H+](Cc1cnc(N(C)C)s1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000014948244 558680315 /nfs/dbraw/zinc/68/03/15/558680315.db2.gz LCSHVDKTUUEFMT-UHFFFAOYSA-N 2 0 400.636 4.294 50 0 HIAARP C[NH+](Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014955112 558682162 /nfs/dbraw/zinc/68/21/62/558682162.db2.gz VZOKEQMUMMCKDI-RUZDIDTESA-N 2 0 422.544 4.329 50 0 HIAARP CCC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)CC1 ZINC000015063816 558706468 /nfs/dbraw/zinc/70/64/68/558706468.db2.gz QHGIHAVFPZSKMN-UHFFFAOYSA-N 2 0 412.603 4.335 50 0 HIAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000015071703 558713287 /nfs/dbraw/zinc/71/32/87/558713287.db2.gz MPQDPJKNTVWMTL-UHFFFAOYSA-N 2 0 407.558 4.256 50 0 HIAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072448243 558982664 /nfs/dbraw/zinc/98/26/64/558982664.db2.gz BZAQCYFGZVLSFU-HNNXBMFYSA-N 2 0 409.917 4.455 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2cccn2-c2nccs2)CC2CC[NH+](C)CC2)cc1 ZINC000020203367 568594228 /nfs/dbraw/zinc/59/42/28/568594228.db2.gz OHTQICSEGACSJU-UHFFFAOYSA-N 2 0 424.614 4.329 50 0 HIAARP CCc1noc(C2CCC([NH2+]CC3CC[NH+](Cc4ccccc4F)CC3)CC2)n1 ZINC000095996317 568678828 /nfs/dbraw/zinc/67/88/28/568678828.db2.gz SNSBVMCNDFWZKT-UHFFFAOYSA-N 2 0 400.542 4.299 50 0 HIAARP C[N@@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012298459 845866087 /nfs/dbraw/zinc/86/60/87/845866087.db2.gz IXDXDXQWJKJMMA-JOCHJYFZSA-N 2 0 416.993 4.098 50 0 HIAARP COc1cc(C[NH2+]Cc2cccs2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012477263 845874572 /nfs/dbraw/zinc/87/45/72/845874572.db2.gz OKVGOJWXQHVDQA-HXUWFJFHSA-N 2 0 418.603 4.052 50 0 HIAARP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1c(C)noc1C ZINC000032739819 522442977 /nfs/dbraw/zinc/44/29/77/522442977.db2.gz VXZVSODIWKEGJJ-UHFFFAOYSA-N 2 0 401.551 4.278 50 0 HIAARP O=C(NCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000034682407 557383960 /nfs/dbraw/zinc/38/39/60/557383960.db2.gz ZMZOARGLKOLBCS-UHFFFAOYSA-N 2 0 419.613 4.357 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(OC)ccc3F)CC2)cc1 ZINC000011661423 558265325 /nfs/dbraw/zinc/26/53/25/558265325.db2.gz XWRPSPNLIBUGSQ-UHFFFAOYSA-N 2 0 400.538 4.229 50 0 HIAARP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCN(Cc2ccco2)CC1 ZINC000011878365 558292818 /nfs/dbraw/zinc/29/28/18/558292818.db2.gz DDPORRHCVNNWTD-UHFFFAOYSA-N 2 0 413.581 4.270 50 0 HIAARP CC[N@@H+](Cc1ccc(OCCO)cc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011933968 558298376 /nfs/dbraw/zinc/29/83/76/558298376.db2.gz SJJRXLYTMXSKKX-UHFFFAOYSA-N 2 0 410.602 4.143 50 0 HIAARP COc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(OC)c1 ZINC000012439234 558410917 /nfs/dbraw/zinc/41/09/17/558410917.db2.gz MOHBXLGPACCMNK-UHFFFAOYSA-N 2 0 400.538 4.229 50 0 HIAARP COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1OC ZINC000012576745 558431093 /nfs/dbraw/zinc/43/10/93/558431093.db2.gz SRTLGOIHMRKSDN-HSZRJFAPSA-N 2 0 416.606 4.339 50 0 HIAARP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000095951441 568667721 /nfs/dbraw/zinc/66/77/21/568667721.db2.gz OKBCEXKKDKQCEQ-HUUCEWRRSA-N 2 0 409.393 4.410 50 0 HIAARP Cc1ccc(F)cc1C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012595395 568869017 /nfs/dbraw/zinc/86/90/17/568869017.db2.gz FPQLIEARAXURTK-HSZRJFAPSA-N 2 0 400.538 4.040 50 0 HIAARP c1cc(-c2cc[n+](Cc3ccc(C[n+]4ccc(-c5ccncc5)cc4)cc3)cc2)ccn1 ZINC000001090547 557177314 /nfs/dbraw/zinc/17/73/14/557177314.db2.gz HMGNIPIZYSIFCH-UHFFFAOYSA-N 2 0 416.528 4.482 50 0 HIAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](CCCn2cccn2)Cc2cccnc2)CC1 ZINC000011754004 558272882 /nfs/dbraw/zinc/27/28/82/558272882.db2.gz IUBUBWYCHQVJRL-UHFFFAOYSA-N 2 0 417.601 4.391 50 0 HIAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C1CCCCC1 ZINC000011951737 558302992 /nfs/dbraw/zinc/30/29/92/558302992.db2.gz RRZXLYPNCCUACW-DEOSSOPVSA-N 2 0 408.586 4.470 50 0 HIAARP CCOc1cc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)ccc1O ZINC000012073480 558318378 /nfs/dbraw/zinc/31/83/78/558318378.db2.gz IKBKPVLHCIZNDC-UHFFFAOYSA-N 2 0 412.574 4.186 50 0 HIAARP Cn1c2ccccc2nc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298070 558368151 /nfs/dbraw/zinc/36/81/51/558368151.db2.gz WWOXUUAFLMBYHZ-JOCHJYFZSA-N 2 0 410.606 4.209 50 0 HIAARP O[C@H](COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1)C[NH+]1CCCCC1 ZINC000012314809 558378324 /nfs/dbraw/zinc/37/83/24/558378324.db2.gz DGEMQADHUMTSLA-NRFANRHFSA-N 2 0 422.491 4.221 50 0 HIAARP COc1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc(OC)c1 ZINC000012432887 558406992 /nfs/dbraw/zinc/40/69/92/558406992.db2.gz AOYDAMABWOPKHX-UHFFFAOYSA-N 2 0 400.538 4.229 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2F)CC2CC[NH+](C)CC2)cc1 ZINC000012705843 558449746 /nfs/dbraw/zinc/44/97/46/558449746.db2.gz VNSPDEFOLOQGHC-UHFFFAOYSA-N 2 0 400.538 4.229 50 0 HIAARP C[N@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074196 558715043 /nfs/dbraw/zinc/71/50/43/558715043.db2.gz ZODQHVYLUBVBCI-FQEVSTJZSA-N 2 0 408.512 4.179 50 0 HIAARP O=c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000015076508 558716498 /nfs/dbraw/zinc/71/64/98/558716498.db2.gz HRRFAXKTAFEXRP-QHCPKHFHSA-N 2 0 423.601 4.164 50 0 HIAARP O=c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000015076510 558716626 /nfs/dbraw/zinc/71/66/26/558716626.db2.gz HRRFAXKTAFEXRP-HSZRJFAPSA-N 2 0 423.601 4.164 50 0 HIAARP Brc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc2c1OCO2 ZINC000058157636 558903463 /nfs/dbraw/zinc/90/34/63/558903463.db2.gz AWLYGSSANCBTIG-HNNXBMFYSA-N 2 0 409.349 4.166 50 0 HIAARP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000106920751 560894436 /nfs/dbraw/zinc/89/44/36/560894436.db2.gz PJRMFQGLSRNIKD-RCZVLFRGSA-N 2 0 405.586 4.024 50 0 HIAARP CCn1cc(C[NH+]2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000035457875 569037961 /nfs/dbraw/zinc/03/79/61/569037961.db2.gz QRAZROIKKFGALG-OAQYLSRUSA-N 2 0 424.633 4.111 50 0 HIAARP COc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606824 569244925 /nfs/dbraw/zinc/24/49/25/569244925.db2.gz DLCKJWFNVVVZBL-VXKWHMMOSA-N 2 0 417.594 4.067 50 0 HIAARP Cc1cccnc1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012434972 845871599 /nfs/dbraw/zinc/87/15/99/845871599.db2.gz ILEIPNYTIJVEIO-QHCPKHFHSA-N 2 0 411.590 4.026 50 0 HIAARP COC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012714847 845884950 /nfs/dbraw/zinc/88/49/50/845884950.db2.gz GWDHIOCZLKJBLZ-DEOSSOPVSA-N 2 0 414.590 4.109 50 0 HIAARP CCOc1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)ccc1O ZINC000014955866 845994350 /nfs/dbraw/zinc/99/43/50/845994350.db2.gz YMYZPPLSNSBBDV-UHFFFAOYSA-N 2 0 400.538 4.317 50 0 HIAARP Cc1ccc(COc2ccc(Br)cc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000040719375 524627808 /nfs/dbraw/zinc/62/78/08/524627808.db2.gz QLWRPRAHKNCMOL-UHFFFAOYSA-N 2 0 403.364 4.426 50 0 HIAARP Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000040719336 526412248 /nfs/dbraw/zinc/41/22/48/526412248.db2.gz GNNASKVNMYFKTG-UHFFFAOYSA-N 2 0 407.327 4.256 50 0 HIAARP Cc1c(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc2n1C ZINC000011934341 558298583 /nfs/dbraw/zinc/29/85/83/558298583.db2.gz TVHACCXRIFSJOA-OAQYLSRUSA-N 2 0 424.633 4.032 50 0 HIAARP CCn1c2ccccc2c2cc(C[NH+]3CCC(N4CC[NH+](CC)CC4)CC3)ccc21 ZINC000019888839 558302459 /nfs/dbraw/zinc/30/24/59/558302459.db2.gz OLPXMMXLOQOERI-UHFFFAOYSA-N 2 0 404.602 4.416 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012074017 558318938 /nfs/dbraw/zinc/31/89/38/558318938.db2.gz OUJICUPNIZKXJC-QFIPXVFZSA-N 2 0 424.633 4.377 50 0 HIAARP COCc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000020877899 558419724 /nfs/dbraw/zinc/41/97/24/558419724.db2.gz VRAFUDIFISRQAZ-QFIPXVFZSA-N 2 0 417.638 4.369 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000014972059 558687831 /nfs/dbraw/zinc/68/78/31/558687831.db2.gz YFIYTHQHGPNAMJ-OAQYLSRUSA-N 2 0 403.636 4.001 50 0 HIAARP CCNc1ncc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072434305 558979824 /nfs/dbraw/zinc/97/98/24/558979824.db2.gz DOTKZZMNBFOFIX-UHFFFAOYSA-N 2 0 416.573 4.400 50 0 HIAARP O[C@H](COc1cccc(C[NH2+]Cc2ccccc2Cl)c1)C[NH+]1CCCCCC1 ZINC000014958868 568485243 /nfs/dbraw/zinc/48/52/43/568485243.db2.gz OKXVCWXLAWYQRT-NRFANRHFSA-N 2 0 402.966 4.246 50 0 HIAARP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000095951440 568667771 /nfs/dbraw/zinc/66/77/71/568667771.db2.gz OKBCEXKKDKQCEQ-GJZGRUSLSA-N 2 0 409.393 4.410 50 0 HIAARP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000299802366 568876747 /nfs/dbraw/zinc/87/67/47/568876747.db2.gz LDRINLYELMJSOW-UHFFFAOYSA-N 2 0 409.505 4.447 50 0 HIAARP Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)C1 ZINC000670455445 568930654 /nfs/dbraw/zinc/93/06/54/568930654.db2.gz WBVTWGCWNFSJLJ-NRFANRHFSA-N 2 0 409.574 4.039 50 0 HIAARP CCn1cc(C[NH+]2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000035457871 569037923 /nfs/dbraw/zinc/03/79/23/569037923.db2.gz QRAZROIKKFGALG-NRFANRHFSA-N 2 0 424.633 4.111 50 0 HIAARP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539711 569293229 /nfs/dbraw/zinc/29/32/29/569293229.db2.gz OKLILQZBYPVCSW-NDBXHCKUSA-N 2 0 421.585 4.030 50 0 HIAARP COc1cc(C[NH2+]C2CCCCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000011661909 845823075 /nfs/dbraw/zinc/82/30/75/845823075.db2.gz RXADWMTYKSTYQN-QFIPXVFZSA-N 2 0 404.595 4.123 50 0 HIAARP COCC[N@H+](CCCC(F)(F)F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011753768 845830799 /nfs/dbraw/zinc/83/07/99/845830799.db2.gz STDCPMITOBOUBT-UHFFFAOYSA-N 2 0 402.501 4.198 50 0 HIAARP COc1cc(O)ccc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011937531 845841901 /nfs/dbraw/zinc/84/19/01/845841901.db2.gz FQMGZNFGDJQMJK-UHFFFAOYSA-N 2 0 409.574 4.453 50 0 HIAARP CC(C)CC[N@@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012134963 845855665 /nfs/dbraw/zinc/85/56/65/845855665.db2.gz QMJMRHFZBTYLFM-UHFFFAOYSA-N 2 0 409.574 4.366 50 0 HIAARP C[N@@H+](Cc1cccn1-c1cccnc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012308313 845867368 /nfs/dbraw/zinc/86/73/68/845867368.db2.gz ZTBKFGFZZROVIB-UHFFFAOYSA-N 2 0 406.549 4.398 50 0 HIAARP C[N@@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015064892 846005186 /nfs/dbraw/zinc/00/51/86/846005186.db2.gz NVXXZTCSQXVUEM-UHFFFAOYSA-N 2 0 423.992 4.307 50 0 HIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccccc2OC(F)F)CC1 ZINC000055182896 849984345 /nfs/dbraw/zinc/98/43/45/849984345.db2.gz CEPQSRYWLCOYNB-UHFFFAOYSA-N 2 0 419.516 4.044 50 0 HIAARP Fc1ccc(COc2ccc(Br)cc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000040719334 526341713 /nfs/dbraw/zinc/34/17/13/526341713.db2.gz ZNYMCYDPTGEVKC-UHFFFAOYSA-N 2 0 407.327 4.256 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012112285 558326608 /nfs/dbraw/zinc/32/66/08/558326608.db2.gz RRYVGVCQXXSDGG-XOTIMPRHSA-N 2 0 401.639 4.048 50 0 HIAARP Oc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012468897 558421257 /nfs/dbraw/zinc/42/12/57/558421257.db2.gz TZBHUTCVEKGOIN-XMMPIXPASA-N 2 0 412.549 4.425 50 0 HIAARP C[NH+](Cc1ccccc1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012594994 558437130 /nfs/dbraw/zinc/43/71/30/558437130.db2.gz VNHQXCQKZLFNDZ-VWLOTQADSA-N 2 0 404.554 4.190 50 0 HIAARP COCC[N@@H+](Cc1ccccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012748539 558458584 /nfs/dbraw/zinc/45/85/84/558458584.db2.gz DGLNSQKUSKHRLD-UHFFFAOYSA-N 2 0 400.538 4.195 50 0 HIAARP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000061142416 559218664 /nfs/dbraw/zinc/21/86/64/559218664.db2.gz NRUMFMLCAIUGMB-OFNKIYASSA-N 2 0 424.589 4.148 50 0 HIAARP Cc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000011816856 559260382 /nfs/dbraw/zinc/26/03/82/559260382.db2.gz ZSBJLVRGUGVYKB-DEOSSOPVSA-N 2 0 411.565 4.422 50 0 HIAARP COCC[N@@H+](Cc1cc(C)c(C)o1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011840354 559261488 /nfs/dbraw/zinc/26/14/88/559261488.db2.gz RIWULYQCLSHBDQ-UHFFFAOYSA-N 2 0 400.563 4.266 50 0 HIAARP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000089913769 569268321 /nfs/dbraw/zinc/26/83/21/569268321.db2.gz BDOCSKCVRPIRPT-FQEVSTJZSA-N 2 0 424.589 4.107 50 0 HIAARP COC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012714852 845885230 /nfs/dbraw/zinc/88/52/30/845885230.db2.gz GWDHIOCZLKJBLZ-XMMPIXPASA-N 2 0 414.590 4.109 50 0 HIAARP CC[N@@H+](Cc1cccc(OCCO)c1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000014957952 845994793 /nfs/dbraw/zinc/99/47/93/845994793.db2.gz ZCUFIBHTZZXFKH-UHFFFAOYSA-N 2 0 410.602 4.143 50 0 HIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccc(CO)o2)CC(C)C)CC1 ZINC000014980328 845995663 /nfs/dbraw/zinc/99/56/63/845995663.db2.gz HECRMAALBZFWDS-UHFFFAOYSA-N 2 0 400.563 4.151 50 0 HIAARP c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)sc1C[NH+]1CCCC1 ZINC000023361301 846690434 /nfs/dbraw/zinc/69/04/34/846690434.db2.gz OWDYJYBJYKQFRW-QHCPKHFHSA-N 2 0 424.658 4.131 50 0 HIAARP Cc1cccc2cc(C[NH2+]CCc3cccc(F)c3)c(N3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000248329231 854189698 /nfs/dbraw/zinc/18/96/98/854189698.db2.gz DAGRCJSTBHFJDE-DEOSSOPVSA-N 2 0 418.560 4.299 50 0 HIAARP CC(C)Oc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174384 854232612 /nfs/dbraw/zinc/23/26/12/854232612.db2.gz GGJADLQDKGEJAP-NRFANRHFSA-N 2 0 412.578 4.292 50 0 HIAARP CC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](CC)CC)ccc1-2 ZINC000000538461 557018380 /nfs/dbraw/zinc/01/83/80/557018380.db2.gz MPMFCABZENCRHV-UHFFFAOYSA-N 2 0 410.558 4.339 50 0 in-man HIAARP CC(C)[NH+]1CCC(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000011935036 558299233 /nfs/dbraw/zinc/29/92/33/558299233.db2.gz OVILWPNISHCPFT-VWLOTQADSA-N 2 0 403.655 4.392 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012074012 558318840 /nfs/dbraw/zinc/31/88/40/558318840.db2.gz OUJICUPNIZKXJC-JOCHJYFZSA-N 2 0 424.633 4.377 50 0 HIAARP CSc1cccc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000012204227 558352313 /nfs/dbraw/zinc/35/23/13/558352313.db2.gz IZSBKTKVNNWQGM-QFIPXVFZSA-N 2 0 414.615 4.314 50 0 HIAARP CCc1ccc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)o1 ZINC000012456833 558417523 /nfs/dbraw/zinc/41/75/23/558417523.db2.gz PJEGWOSLOMFUSE-UHFFFAOYSA-N 2 0 400.563 4.211 50 0 HIAARP CCCOc1c(Br)cc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000020967879 558425171 /nfs/dbraw/zinc/42/51/71/558425171.db2.gz LMSKYYONTHCSNP-UHFFFAOYSA-N 2 0 420.189 4.090 50 0 HIAARP CCCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012711397 558452716 /nfs/dbraw/zinc/45/27/16/558452716.db2.gz WYYJHSSROOWZPR-DEOSSOPVSA-N 2 0 402.627 4.237 50 0 HIAARP Cc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012716499 558455404 /nfs/dbraw/zinc/45/54/04/558455404.db2.gz CZHSDDFPHJLLQV-VWLOTQADSA-N 2 0 404.554 4.157 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000014972064 558687871 /nfs/dbraw/zinc/68/78/71/558687871.db2.gz YFIYTHQHGPNAMJ-NRFANRHFSA-N 2 0 403.636 4.001 50 0 HIAARP C[N@H+](CCCn1cccn1)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074197 558715152 /nfs/dbraw/zinc/71/51/52/558715152.db2.gz ZODQHVYLUBVBCI-HXUWFJFHSA-N 2 0 408.512 4.179 50 0 HIAARP Cc1cc(N2CCC3(CCC[N@H+]3Cc3cnc(N(C)C)nc3)CC2)c2ccccc2[nH+]1 ZINC000072447417 558982626 /nfs/dbraw/zinc/98/26/26/558982626.db2.gz LQPXYTJOGALHBH-UHFFFAOYSA-N 2 0 416.573 4.034 50 0 HIAARP COCC[N@@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011951549 559269107 /nfs/dbraw/zinc/26/91/07/559269107.db2.gz ZIEOGNGXSBAJBQ-UHFFFAOYSA-N 2 0 412.549 4.389 50 0 HIAARP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000047778200 568431305 /nfs/dbraw/zinc/43/13/05/568431305.db2.gz XLBCONRHQVJWON-RTBURBONSA-N 2 0 412.574 4.480 50 0 HIAARP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539714 569293212 /nfs/dbraw/zinc/29/32/12/569293212.db2.gz OKLILQZBYPVCSW-QORCZRPOSA-N 2 0 421.585 4.030 50 0 HIAARP Cc1c(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]c2c1cccc2C ZINC000011813383 845836476 /nfs/dbraw/zinc/83/64/76/845836476.db2.gz ZKLGSBKHDVEKDH-NRFANRHFSA-N 2 0 424.633 4.330 50 0 HIAARP CC[N@H+](Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012308239 845867093 /nfs/dbraw/zinc/86/70/93/845867093.db2.gz MCNKDPHYQQZDLF-XMMPIXPASA-N 2 0 411.590 4.108 50 0 HIAARP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000012315144 845867388 /nfs/dbraw/zinc/86/73/88/845867388.db2.gz AXGKBJCJMIPPCY-UHFFFAOYSA-N 2 0 408.546 4.331 50 0 HIAARP CC(C)Oc1ccccc1C[NH+]1CCC2(C[N@H+](C)C[C@H]2c2nnc(C(C)C)o2)CC1 ZINC000257178258 854233197 /nfs/dbraw/zinc/23/31/97/854233197.db2.gz ZRAFLEUFGYOVCY-FQEVSTJZSA-N 2 0 412.578 4.292 50 0 HIAARP Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000040720382 525172838 /nfs/dbraw/zinc/17/28/38/525172838.db2.gz DNCHANPCAQJWJV-UHFFFAOYSA-N 2 0 403.364 4.426 50 0 HIAARP COc1cc(Br)cc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccccc1 ZINC000010435480 557862117 /nfs/dbraw/zinc/86/21/17/557862117.db2.gz JZCMTQNCLMZXBF-UHFFFAOYSA-N 2 0 419.363 4.126 50 0 HIAARP COc1cc(/C=C/C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1O ZINC000011814895 558278968 /nfs/dbraw/zinc/27/89/68/558278968.db2.gz RUABRPAONACXAU-ONEGZZNKSA-N 2 0 412.549 4.440 50 0 HIAARP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)s1 ZINC000012192345 558348117 /nfs/dbraw/zinc/34/81/17/558348117.db2.gz WDEYYECDJJRNGE-NRFANRHFSA-N 2 0 402.604 4.351 50 0 HIAARP Cc1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)s1 ZINC000012386816 558395570 /nfs/dbraw/zinc/39/55/70/558395570.db2.gz KIOZBYVLXYRGBK-QFIPXVFZSA-N 2 0 410.583 4.218 50 0 HIAARP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000020906880 558420941 /nfs/dbraw/zinc/42/09/41/558420941.db2.gz CSESYZOTKFTLMT-UHFFFAOYSA-N 2 0 418.541 4.149 50 0 HIAARP Cc1cccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)c1 ZINC000012582170 558432761 /nfs/dbraw/zinc/43/27/61/558432761.db2.gz FSTJGPPFERGLKQ-VWLOTQADSA-N 2 0 404.554 4.157 50 0 HIAARP COc1cc(C[NH2+]Cc2ccsc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012582377 558432839 /nfs/dbraw/zinc/43/28/39/558432839.db2.gz QFPWGVHNPVBMMN-OAQYLSRUSA-N 2 0 418.603 4.052 50 0 HIAARP COc1cc(C[NH2+]Cc2ccsc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012582369 558432845 /nfs/dbraw/zinc/43/28/45/558432845.db2.gz QFPWGVHNPVBMMN-NRFANRHFSA-N 2 0 418.603 4.052 50 0 HIAARP CC1=C(CC[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000023145522 558538327 /nfs/dbraw/zinc/53/83/27/558538327.db2.gz QWEWZMIMMQAGFB-QHCPKHFHSA-N 2 0 405.671 4.145 50 0 HIAARP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)C1 ZINC000015069446 558711685 /nfs/dbraw/zinc/71/16/85/558711685.db2.gz VKWAKOXHCYBZOF-OAQYLSRUSA-N 2 0 415.622 4.132 50 0 HIAARP COc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1O ZINC000012387826 558396705 /nfs/dbraw/zinc/39/67/05/558396705.db2.gz YPKHPGPBPDSCTF-UHFFFAOYSA-N 2 0 409.574 4.453 50 0 HIAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000012438782 558410284 /nfs/dbraw/zinc/41/02/84/558410284.db2.gz YBYLUGRKLXCKQV-UHFFFAOYSA-N 2 0 422.013 4.055 50 0 HIAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000014991680 558694553 /nfs/dbraw/zinc/69/45/53/558694553.db2.gz LVIWOKOIJJGBHR-UHFFFAOYSA-N 2 0 405.656 4.153 50 0 HIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1)C1CC[NH+](C)CC1 ZINC000011998853 845846580 /nfs/dbraw/zinc/84/65/80/845846580.db2.gz KMLKKXPQPZPSRZ-IBGZPJMESA-N 2 0 413.631 4.446 50 0 HIAARP Cc1nnc([C@H]2CC3(C[N@@H+]2CCc2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257187859 854233915 /nfs/dbraw/zinc/23/39/15/854233915.db2.gz COABDNARIUPWSG-HSZRJFAPSA-N 2 0 417.557 4.045 50 0 HIAARP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000032907653 520759243 /nfs/dbraw/zinc/75/92/43/520759243.db2.gz ZHAZKFJXIQWXAH-UHFFFAOYSA-N 2 0 410.606 4.370 50 0 HIAARP CCCCc1ncc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011819884 558282971 /nfs/dbraw/zinc/28/29/71/558282971.db2.gz FDEFMMWCKBGRJT-QHCPKHFHSA-N 2 0 402.627 4.388 50 0 HIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878174 558292380 /nfs/dbraw/zinc/29/23/80/558292380.db2.gz QKMQASYYKPFYCV-DEOSSOPVSA-N 2 0 418.585 4.267 50 0 HIAARP COc1ccc(OC)c(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000012210566 558354068 /nfs/dbraw/zinc/35/40/68/558354068.db2.gz BPONTIGBGLCLCD-UHFFFAOYSA-N 2 0 400.538 4.229 50 0 HIAARP Cc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012716494 558455504 /nfs/dbraw/zinc/45/55/04/558455504.db2.gz CZHSDDFPHJLLQV-RUZDIDTESA-N 2 0 404.554 4.157 50 0 HIAARP CC[NH+](CC)CCOC(=O)C1(OCC[NH+](CC)CC)c2ccccc2-c2ccccc21 ZINC000670421065 568813536 /nfs/dbraw/zinc/81/35/36/568813536.db2.gz FNGVZVNESVMFML-UHFFFAOYSA-N 2 0 424.585 4.154 50 0 HIAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000012597082 568869159 /nfs/dbraw/zinc/86/91/59/568869159.db2.gz ZQEMWEJHHDKESY-QFIPXVFZSA-N 2 0 418.622 4.061 50 0 HIAARP Cc1ccsc1C[NH+]1CCC(c2nnc(SCC[NH+]3CCCCC3)n2C)CC1 ZINC000299771464 568874275 /nfs/dbraw/zinc/87/42/75/568874275.db2.gz YACBNVCIYBZDIJ-UHFFFAOYSA-N 2 0 419.664 4.143 50 0 HIAARP Cc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011937891 845841843 /nfs/dbraw/zinc/84/18/43/845841843.db2.gz RYAAUYNJUPVZPJ-HHHXNRCGSA-N 2 0 419.613 4.250 50 0 HIAARP COc1cc(C[NH2+]Cc2cccs2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012477255 845874607 /nfs/dbraw/zinc/87/46/07/845874607.db2.gz OKVGOJWXQHVDQA-FQEVSTJZSA-N 2 0 418.603 4.052 50 0 HIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012593875 845878582 /nfs/dbraw/zinc/87/85/82/845878582.db2.gz ABAQRSBNZMHZJL-KRWDZBQOSA-N 2 0 409.977 4.024 50 0 HIAARP O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23)N1CCCC1 ZINC000257196364 854235010 /nfs/dbraw/zinc/23/50/10/854235010.db2.gz YCBOEWYILPGZFZ-WSKLTFMVSA-N 2 0 409.618 4.154 50 0 HIAARP CN1CCC([NH+]2CCC(C[N@H+](CCCC(F)(F)F)Cc3ccncc3)CC2)CC1 ZINC000011820676 558284009 /nfs/dbraw/zinc/28/40/09/558284009.db2.gz MWLPTOQNVIKVBR-UHFFFAOYSA-N 2 0 412.544 4.032 50 0 HIAARP Cn1c2ccccc2nc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298069 558368123 /nfs/dbraw/zinc/36/81/23/558368123.db2.gz WWOXUUAFLMBYHZ-QFIPXVFZSA-N 2 0 410.606 4.209 50 0 HIAARP CCn1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)CC2)c2ccccc21 ZINC000012318809 558381780 /nfs/dbraw/zinc/38/17/80/558381780.db2.gz MLCWGYDIRHLNNU-QHCPKHFHSA-N 2 0 424.633 4.254 50 0 HIAARP O=C(c1cccs1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012581033 558432621 /nfs/dbraw/zinc/43/26/21/558432621.db2.gz YSYYPLSAORDLNY-HXUWFJFHSA-N 2 0 403.636 4.331 50 0 HIAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCCCCC3)CC2)c(Cl)c1 ZINC000015062441 558705358 /nfs/dbraw/zinc/70/53/58/558705358.db2.gz YQIKGERTZAPCOX-UHFFFAOYSA-N 2 0 422.013 4.197 50 0 HIAARP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCCCC1 ZINC000015376743 558736286 /nfs/dbraw/zinc/73/62/86/558736286.db2.gz MYDAFEAKPLCCJM-UHFFFAOYSA-N 2 0 420.601 4.212 50 0 HIAARP Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3ccc([C@H]4CCC[NH2+]4)s3)CC2)o1 ZINC000095516795 559084630 /nfs/dbraw/zinc/08/46/30/559084630.db2.gz PIBLNWKDYAXPPE-LJQANCHMSA-N 2 0 401.576 4.058 50 0 HIAARP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047778199 568431251 /nfs/dbraw/zinc/43/12/51/568431251.db2.gz XLBCONRHQVJWON-OALUTQOASA-N 2 0 412.574 4.480 50 0 HIAARP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C)c1O)[C@H](C)N(C)CC2 ZINC000245240399 568736072 /nfs/dbraw/zinc/73/60/72/568736072.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 0 412.530 4.300 50 0 HIAARP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)c1 ZINC000040145451 571195419 /nfs/dbraw/zinc/19/54/19/571195419.db2.gz DAHRUHVZNBTMNQ-UHFFFAOYSA-N 2 0 410.606 4.370 50 0 HIAARP Cc1cnccc1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000011661454 845823026 /nfs/dbraw/zinc/82/30/26/845823026.db2.gz LJKWUHZWJJNQKJ-XMMPIXPASA-N 2 0 411.590 4.026 50 0 HIAARP COCC[N@@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012193820 845858734 /nfs/dbraw/zinc/85/87/34/845858734.db2.gz IXNMXRNWIWESFD-UHFFFAOYSA-N 2 0 424.585 4.258 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC000012320227 845868348 /nfs/dbraw/zinc/86/83/48/845868348.db2.gz PHNSGHBMUCOADO-QFIPXVFZSA-N 2 0 424.633 4.079 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000012453933 845872479 /nfs/dbraw/zinc/87/24/79/845872479.db2.gz YYHQQFFCYHMLMX-NRFANRHFSA-N 2 0 413.631 4.494 50 0 HIAARP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759546 845889334 /nfs/dbraw/zinc/88/93/34/845889334.db2.gz OFCFDEHTULXKCX-VWLOTQADSA-N 2 0 420.597 4.105 50 0 HIAARP C[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)Cc1ccnc2ccccc12 ZINC000013636576 845917398 /nfs/dbraw/zinc/91/73/98/845917398.db2.gz BWXVQCRKPHRWFP-QHCPKHFHSA-N 2 0 419.569 4.092 50 0 HIAARP CC(C)[NH+](CC[C@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000005442039 557653815 /nfs/dbraw/zinc/65/38/15/557653815.db2.gz YKFWMDHZMQLWBO-QHCPKHFHSA-N 2 0 408.030 4.448 50 0 in-man HIAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)C1CCCCC1 ZINC000011814830 558278963 /nfs/dbraw/zinc/27/89/63/558278963.db2.gz JQDOZRMJVOELKK-XMMPIXPASA-N 2 0 414.565 4.162 50 0 HIAARP C[N@@H+](Cc1cccn1-c1nccs1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012094242 558325080 /nfs/dbraw/zinc/32/50/80/558325080.db2.gz UYSOJSIBFWFIQT-UHFFFAOYSA-N 2 0 412.578 4.459 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2cccn2-c2ccccn2)CC2CC[NH+](C)CC2)cc1 ZINC000012436361 558409093 /nfs/dbraw/zinc/40/90/93/558409093.db2.gz LABUFTHEMQKXOH-UHFFFAOYSA-N 2 0 418.585 4.267 50 0 HIAARP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000012589109 558435137 /nfs/dbraw/zinc/43/51/37/558435137.db2.gz UGYVEGYSKFBNRR-UHFFFAOYSA-N 2 0 411.634 4.102 50 0 HIAARP Cc1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000022925769 558523261 /nfs/dbraw/zinc/52/32/61/558523261.db2.gz ISMVFGRJHQUPSD-NRFANRHFSA-N 2 0 404.668 4.394 50 0 HIAARP O=C(/C=C/c1ccco1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014969127 558686916 /nfs/dbraw/zinc/68/69/16/558686916.db2.gz RISNANCGNDEBDH-GNNUASRNSA-N 2 0 413.606 4.262 50 0 HIAARP c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000019223746 558852380 /nfs/dbraw/zinc/85/23/80/558852380.db2.gz NTDMIKRMDXESID-UHFFFAOYSA-N 2 0 416.569 4.288 50 0 HIAARP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000058296854 558917085 /nfs/dbraw/zinc/91/70/85/558917085.db2.gz VYWOVHAJQHFSEJ-UHFFFAOYSA-N 2 0 407.558 4.062 50 0 HIAARP COc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606823 569244898 /nfs/dbraw/zinc/24/48/98/569244898.db2.gz DLCKJWFNVVVZBL-YADHBBJMSA-N 2 0 417.594 4.067 50 0 HIAARP O[C@@H](COc1ccc(Cl)cc1C[NH2+]Cc1ccsc1)C[NH+]1CCCCCC1 ZINC000015069016 846005477 /nfs/dbraw/zinc/00/54/77/846005477.db2.gz XDOUSRJNFAWODN-HXUWFJFHSA-N 2 0 408.995 4.307 50 0 HIAARP CCN(Cc1ccccc1)C(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000257196033 854234814 /nfs/dbraw/zinc/23/48/14/854234814.db2.gz XKFALYLTXULTLW-KKUQBAQOSA-N 2 0 419.613 4.316 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(O)c(Cl)c3)CC2)cc1 ZINC000011842053 558287414 /nfs/dbraw/zinc/28/74/14/558287414.db2.gz VQBFZFUDSQTSFS-UHFFFAOYSA-N 2 0 402.966 4.441 50 0 HIAARP COc1ccc(F)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012373014 558390615 /nfs/dbraw/zinc/39/06/15/558390615.db2.gz LRYANYRAFJBVBY-QHCPKHFHSA-N 2 0 404.570 4.470 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c(OC)cccc3OC)CC2)cc1 ZINC000012593414 558436567 /nfs/dbraw/zinc/43/65/67/558436567.db2.gz HHIMNGUBZHPRDS-UHFFFAOYSA-N 2 0 412.574 4.099 50 0 HIAARP Cc1occc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014971749 558687487 /nfs/dbraw/zinc/68/74/87/558687487.db2.gz ZWEYGQJTVUWFLA-OAQYLSRUSA-N 2 0 401.595 4.171 50 0 HIAARP CCC(CC)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000058193382 558910753 /nfs/dbraw/zinc/91/07/53/558910753.db2.gz UKLXUKMVKANWEP-QFIPXVFZSA-N 2 0 420.667 4.160 50 0 HIAARP O[C@@H](COc1cccc(C[NH2+]Cc2ccccc2Cl)c1)C[NH+]1CCCCCC1 ZINC000014958865 568485231 /nfs/dbraw/zinc/48/52/31/568485231.db2.gz OKXVCWXLAWYQRT-OAQYLSRUSA-N 2 0 402.966 4.246 50 0 HIAARP CN1CC[NH+](CCc2ccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992568 568677876 /nfs/dbraw/zinc/67/78/76/568677876.db2.gz IBHDWMCBTNUVKR-SANMLTNESA-N 2 0 420.645 4.332 50 0 HIAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1=CCCCC1 ZINC000012580639 568864128 /nfs/dbraw/zinc/86/41/28/568864128.db2.gz LACDMANEFPSXOQ-UHFFFAOYSA-N 2 0 423.645 4.147 50 0 HIAARP Cc1cn2c(C[NH2+]CCCC[NH+]3CCN(c4cccc(C)c4)CC3)c(C)nc2s1 ZINC000237855614 569281903 /nfs/dbraw/zinc/28/19/03/569281903.db2.gz KWCDKBOLBWGUNW-UHFFFAOYSA-N 2 0 411.619 4.013 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000011844032 845837852 /nfs/dbraw/zinc/83/78/52/845837852.db2.gz XILGLFCAJNDJLS-UHFFFAOYSA-N 2 0 418.585 4.267 50 0 HIAARP COc1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c2ccccc12 ZINC000012039438 845849388 /nfs/dbraw/zinc/84/93/88/845849388.db2.gz WAMNOGAFGFJECX-SANMLTNESA-N 2 0 420.553 4.012 50 0 HIAARP C[N@H+](Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228947 846360332 /nfs/dbraw/zinc/36/03/32/846360332.db2.gz UVDSIRRLJPLJQW-RUZDIDTESA-N 2 0 420.597 4.105 50 0 HIAARP CC(C)Oc1ccccc1C[NH+]1CCC2(C[N@H+](C)C[C@@H]2c2nnc(C(C)C)o2)CC1 ZINC000257178260 854233226 /nfs/dbraw/zinc/23/32/26/854233226.db2.gz ZRAFLEUFGYOVCY-HXUWFJFHSA-N 2 0 412.578 4.292 50 0 HIAARP CC(C)Cc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000011819473 558282597 /nfs/dbraw/zinc/28/25/97/558282597.db2.gz FTMNZZCUTNAZFC-XMMPIXPASA-N 2 0 402.627 4.244 50 0 HIAARP COc1ccc(-n2ccnc2C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000012429512 558404491 /nfs/dbraw/zinc/40/44/91/558404491.db2.gz MDMUWRNGXBQQHN-UHFFFAOYSA-N 2 0 408.546 4.126 50 0 HIAARP O=C(c1cccs1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012581038 558432697 /nfs/dbraw/zinc/43/26/97/558432697.db2.gz YSYYPLSAORDLNY-FQEVSTJZSA-N 2 0 403.636 4.331 50 0 HIAARP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000230114681 568847498 /nfs/dbraw/zinc/84/74/98/568847498.db2.gz NRUMFMLCAIUGMB-NFBKMPQASA-N 2 0 424.589 4.148 50 0 HIAARP O[C@@H](COc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1)C[NH+]1CCCCCC1 ZINC000012715808 568918055 /nfs/dbraw/zinc/91/80/55/568918055.db2.gz GPUSANHPLAYCOC-JOCHJYFZSA-N 2 0 402.966 4.246 50 0 HIAARP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@@H]5CCOC5)c4)[C@@H]3C2)cc1 ZINC000252539708 569293208 /nfs/dbraw/zinc/29/32/08/569293208.db2.gz OKLILQZBYPVCSW-LIONHTAISA-N 2 0 421.585 4.030 50 0 HIAARP Cc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011937890 845842111 /nfs/dbraw/zinc/84/21/11/845842111.db2.gz RYAAUYNJUPVZPJ-MHZLTWQESA-N 2 0 419.613 4.250 50 0 HIAARP CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012466063 845873543 /nfs/dbraw/zinc/87/35/43/845873543.db2.gz HAFDOKYGNYAMSX-VWLOTQADSA-N 2 0 410.606 4.105 50 0 HIAARP CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012466067 845873629 /nfs/dbraw/zinc/87/36/29/845873629.db2.gz HAFDOKYGNYAMSX-RUZDIDTESA-N 2 0 410.606 4.105 50 0 HIAARP Cc1cccc2cc(C[NH2+]CCc3cccc(F)c3)c(N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000015002792 845998837 /nfs/dbraw/zinc/99/88/37/845998837.db2.gz DAGRCJSTBHFJDE-XMMPIXPASA-N 2 0 418.560 4.299 50 0 HIAARP c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)sc1C[NH+]1CCCC1 ZINC000023361299 846688667 /nfs/dbraw/zinc/68/86/67/846688667.db2.gz OWDYJYBJYKQFRW-HSZRJFAPSA-N 2 0 424.658 4.131 50 0 HIAARP c1cncc(C[N@@H+](Cc2ccc3nonc3c2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011821684 558284737 /nfs/dbraw/zinc/28/47/37/558284737.db2.gz LZCKPEBRUNHOFG-UHFFFAOYSA-N 2 0 405.546 4.275 50 0 HIAARP CCn1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCC[N@@H+]3CC)CC2)c2ccccc21 ZINC000012318805 558381494 /nfs/dbraw/zinc/38/14/94/558381494.db2.gz MLCWGYDIRHLNNU-HSZRJFAPSA-N 2 0 424.633 4.254 50 0 HIAARP CCc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000012447926 558415226 /nfs/dbraw/zinc/41/52/26/558415226.db2.gz NMUBKESEDOIYCP-UHFFFAOYSA-N 2 0 410.606 4.045 50 0 HIAARP COCc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000020877902 558419710 /nfs/dbraw/zinc/41/97/10/558419710.db2.gz VRAFUDIFISRQAZ-JOCHJYFZSA-N 2 0 417.638 4.369 50 0 HIAARP Cc1occc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014971753 558687534 /nfs/dbraw/zinc/68/75/34/558687534.db2.gz ZWEYGQJTVUWFLA-NRFANRHFSA-N 2 0 401.595 4.171 50 0 HIAARP CC(C)[NH+](CC[C@](CC[NH+]1CCCCCC1)(C(N)=O)c1ccccc1F)C(C)C ZINC000039254151 558820028 /nfs/dbraw/zinc/82/00/28/558820028.db2.gz WRAPOTLJASHWJP-DEOSSOPVSA-N 2 0 405.602 4.324 50 0 HIAARP Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)C1 ZINC000670455446 568930756 /nfs/dbraw/zinc/93/07/56/568930756.db2.gz WBVTWGCWNFSJLJ-OAQYLSRUSA-N 2 0 409.574 4.039 50 0 HIAARP COc1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c2ccccc12 ZINC000012039440 845849556 /nfs/dbraw/zinc/84/95/56/845849556.db2.gz WAMNOGAFGFJECX-AREMUKBSSA-N 2 0 420.553 4.012 50 0 HIAARP CC(C)Oc1c(Br)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000040719671 519777585 /nfs/dbraw/zinc/77/75/85/519777585.db2.gz AOJZGKQVPHPWBF-UHFFFAOYSA-N 2 0 420.189 4.088 50 0 HIAARP Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000040720173 525070613 /nfs/dbraw/zinc/07/06/13/525070613.db2.gz WPIZFGFHACKMPC-UHFFFAOYSA-N 2 0 417.553 4.255 50 0 HIAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccc(CO)o2)Cc2cccnc2)CC1 ZINC000011667856 558269832 /nfs/dbraw/zinc/26/98/32/558269832.db2.gz HKHOAYNBSDTMCO-UHFFFAOYSA-N 2 0 419.569 4.390 50 0 HIAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000011878647 558293077 /nfs/dbraw/zinc/29/30/77/558293077.db2.gz NOQFUIPYDONQAF-UHFFFAOYSA-N 2 0 417.981 4.270 50 0 HIAARP Cc1ccc(C[NH+](C)Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307282 /nfs/dbraw/zinc/30/72/82/558307282.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 2 0 408.542 4.092 50 0 HIAARP CC[N@@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012073673 558318706 /nfs/dbraw/zinc/31/87/06/558318706.db2.gz SWPSUROHPMWXQM-UHFFFAOYSA-N 2 0 417.601 4.352 50 0 HIAARP C[N@@H+](Cc1cc(=O)c2ccccc2[nH]1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012318249 558381338 /nfs/dbraw/zinc/38/13/38/558381338.db2.gz VMCRVRYVBUVJAI-UHFFFAOYSA-N 2 0 407.533 4.466 50 0 HIAARP COc1ccc(F)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012373015 558390687 /nfs/dbraw/zinc/39/06/87/558390687.db2.gz LRYANYRAFJBVBY-HSZRJFAPSA-N 2 0 404.570 4.470 50 0 HIAARP Cc1ccc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)s1 ZINC000012386815 558395536 /nfs/dbraw/zinc/39/55/36/558395536.db2.gz KIOZBYVLXYRGBK-JOCHJYFZSA-N 2 0 410.583 4.218 50 0 HIAARP CC1=C(CC[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)C(C)(C)CCC1 ZINC000022853372 558517342 /nfs/dbraw/zinc/51/73/42/558517342.db2.gz QWEWZMIMMQAGFB-HSZRJFAPSA-N 2 0 405.671 4.145 50 0 HIAARP C[NH+](Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014955117 558682222 /nfs/dbraw/zinc/68/22/22/558682222.db2.gz VZOKEQMUMMCKDI-VWLOTQADSA-N 2 0 422.544 4.329 50 0 HIAARP CC(C)[NH+](CC[C@@](CC[NH+]1CCCCCC1)(C(N)=O)c1ccccc1F)C(C)C ZINC000039254152 558820098 /nfs/dbraw/zinc/82/00/98/558820098.db2.gz WRAPOTLJASHWJP-XMMPIXPASA-N 2 0 405.602 4.324 50 0 HIAARP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055182669 558875089 /nfs/dbraw/zinc/87/50/89/558875089.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 2 0 423.601 4.430 50 0 HIAARP O=C(C[N@@H+]1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000058061425 558897361 /nfs/dbraw/zinc/89/73/61/558897361.db2.gz BPQHQHVEMDVQCF-QHCPKHFHSA-N 2 0 413.512 4.280 50 0 HIAARP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@H]5CCOC5)c4)[C@@H]3C2)cc1 ZINC000252539705 559278363 /nfs/dbraw/zinc/27/83/63/559278363.db2.gz OKLILQZBYPVCSW-JBXUNAHCSA-N 2 0 421.585 4.030 50 0 HIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000011842299 845837862 /nfs/dbraw/zinc/83/78/62/845837862.db2.gz UIMALFHAPLLYAC-QGZVFWFLSA-N 2 0 409.977 4.024 50 0 HIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000011842298 845838133 /nfs/dbraw/zinc/83/81/33/845838133.db2.gz UIMALFHAPLLYAC-KRWDZBQOSA-N 2 0 409.977 4.024 50 0 HIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1)C1CC[NH+](C)CC1 ZINC000011998857 845846457 /nfs/dbraw/zinc/84/64/57/845846457.db2.gz KMLKKXPQPZPSRZ-LJQANCHMSA-N 2 0 413.631 4.446 50 0 HIAARP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1OC(C)C)Cc1ccccc1O2 ZINC000257187092 854233886 /nfs/dbraw/zinc/23/38/86/854233886.db2.gz LHNNTHUINCFOGO-UHFFFAOYSA-N 2 0 424.585 4.349 50 0 HIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817255 558280672 /nfs/dbraw/zinc/28/06/72/558280672.db2.gz PKHZGEUENIKUKH-HSZRJFAPSA-N 2 0 409.574 4.040 50 0 HIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292519 /nfs/dbraw/zinc/29/25/19/558292519.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 2 0 418.585 4.267 50 0 HIAARP COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 ZINC000020905743 558420809 /nfs/dbraw/zinc/42/08/09/558420809.db2.gz MMCFHQLVJPMDDL-XMMPIXPASA-N 2 0 414.615 4.170 50 0 HIAARP Oc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012468889 558421248 /nfs/dbraw/zinc/42/12/48/558421248.db2.gz TZBHUTCVEKGOIN-DEOSSOPVSA-N 2 0 412.549 4.425 50 0 HIAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2ccccc2F)c1)C1CCCCC1 ZINC000012701262 558447736 /nfs/dbraw/zinc/44/77/36/558447736.db2.gz AALAZQLTDYDKNQ-QFIPXVFZSA-N 2 0 400.538 4.120 50 0 HIAARP COc1cc(C[N@H+](C)CCC(C)C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015079311 558718442 /nfs/dbraw/zinc/71/84/42/558718442.db2.gz TVRIXAWSJGNZLL-JOCHJYFZSA-N 2 0 406.611 4.177 50 0 HIAARP Cc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000011816857 559260403 /nfs/dbraw/zinc/26/04/03/559260403.db2.gz ZSBJLVRGUGVYKB-XMMPIXPASA-N 2 0 411.565 4.422 50 0 HIAARP C[N@@H+](CCC(=O)Nc1ccccc1Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095458243 568619034 /nfs/dbraw/zinc/61/90/34/568619034.db2.gz IHNXMQFUQWYWOA-UHFFFAOYSA-N 2 0 400.954 4.302 50 0 HIAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000012597078 568869110 /nfs/dbraw/zinc/86/91/10/568869110.db2.gz ZQEMWEJHHDKESY-JOCHJYFZSA-N 2 0 418.622 4.061 50 0 HIAARP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012054246 845851341 /nfs/dbraw/zinc/85/13/41/845851341.db2.gz ACJZAHYZAFLZJN-QHCPKHFHSA-N 2 0 413.650 4.430 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC000012320224 845868471 /nfs/dbraw/zinc/86/84/71/845868471.db2.gz PHNSGHBMUCOADO-JOCHJYFZSA-N 2 0 424.633 4.079 50 0 HIAARP CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000019720670 558259081 /nfs/dbraw/zinc/25/90/81/558259081.db2.gz XPCDCSADDXHTLW-NRFANRHFSA-N 2 0 412.599 4.444 50 0 HIAARP CCCCc1ncc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011819885 558282950 /nfs/dbraw/zinc/28/29/50/558282950.db2.gz FDEFMMWCKBGRJT-HSZRJFAPSA-N 2 0 402.627 4.388 50 0 HIAARP Cc1c(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc2n1C ZINC000011934340 558298610 /nfs/dbraw/zinc/29/86/10/558298610.db2.gz TVHACCXRIFSJOA-NRFANRHFSA-N 2 0 424.633 4.032 50 0 HIAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000012073513 558318413 /nfs/dbraw/zinc/31/84/13/558318413.db2.gz CDGPDOSBQGQUKQ-VWLOTQADSA-N 2 0 422.544 4.030 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)CC2CC[NH+](C)CC2)cc1 ZINC000012315671 558379153 /nfs/dbraw/zinc/37/91/53/558379153.db2.gz BFQRAVNRMZEZLG-UHFFFAOYSA-N 2 0 419.569 4.336 50 0 HIAARP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000012477897 558423111 /nfs/dbraw/zinc/42/31/11/558423111.db2.gz GTYCTHARFAQNQZ-QFIPXVFZSA-N 2 0 420.041 4.173 50 0 HIAARP COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1OC ZINC000012576741 558430911 /nfs/dbraw/zinc/43/09/11/558430911.db2.gz SRTLGOIHMRKSDN-QHCPKHFHSA-N 2 0 416.606 4.339 50 0 HIAARP C[N@@H+](Cc1cccn1-c1cccnc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012449545 558663534 /nfs/dbraw/zinc/66/35/34/558663534.db2.gz ZNNSTFZYCBMIHJ-UHFFFAOYSA-N 2 0 406.549 4.398 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000015065586 558708634 /nfs/dbraw/zinc/70/86/34/558708634.db2.gz WNOYQYHWPHCECZ-UHFFFAOYSA-N 2 0 412.574 4.099 50 0 HIAARP COc1cc(C[N@H+](C)CCC(C)C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015079310 558718187 /nfs/dbraw/zinc/71/81/87/558718187.db2.gz TVRIXAWSJGNZLL-QFIPXVFZSA-N 2 0 406.611 4.177 50 0 HIAARP CCc1ccc(C[NH+]2CCC(C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)cc1 ZINC000004679099 558890276 /nfs/dbraw/zinc/89/02/76/558890276.db2.gz MGQRYDIBBXATSN-UHFFFAOYSA-N 2 0 407.602 4.051 50 0 HIAARP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000230068522 568805790 /nfs/dbraw/zinc/80/57/90/568805790.db2.gz JOTUMZQZYDQGNL-GHTZIAJQSA-N 2 0 414.619 4.082 50 0 HIAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2CCO)CC1 ZINC000104524219 569008831 /nfs/dbraw/zinc/00/88/31/569008831.db2.gz NNUZFYUESKQPDN-OAQYLSRUSA-N 2 0 423.626 4.017 50 0 HIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(OC(C)C)c(CO)c3)CC2)o1 ZINC000012456422 845872583 /nfs/dbraw/zinc/87/25/83/845872583.db2.gz XTYLQYZNCSIPTJ-UHFFFAOYSA-N 2 0 400.563 4.212 50 0 HIAARP COc1ccc(C[NH2+]Cc2cccs2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015079611 846006756 /nfs/dbraw/zinc/00/67/56/846006756.db2.gz GBCFHVHHZCPPKB-FQEVSTJZSA-N 2 0 418.603 4.052 50 0 HIAARP CCOc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000015075295 846006804 /nfs/dbraw/zinc/00/68/04/846006804.db2.gz CEPLZMPCLRCCDS-QHCPKHFHSA-N 2 0 416.606 4.427 50 0 HIAARP CC[N@@H+](Cc1cnc(-c2ccccc2C)nc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011817190 558280334 /nfs/dbraw/zinc/28/03/34/558280334.db2.gz IXEOVVADVVUBJY-UHFFFAOYSA-N 2 0 421.633 4.080 50 0 HIAARP CC(C)[NH+]1CCC(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000011935035 558299177 /nfs/dbraw/zinc/29/91/77/558299177.db2.gz OVILWPNISHCPFT-RUZDIDTESA-N 2 0 403.655 4.392 50 0 HIAARP C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012030819 558311204 /nfs/dbraw/zinc/31/12/04/558311204.db2.gz KCVFSUQTPWWCOE-UHFFFAOYSA-N 2 0 406.549 4.398 50 0 HIAARP Cc1ccccc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000020201892 558345978 /nfs/dbraw/zinc/34/59/78/558345978.db2.gz XSPYSOUQHSMSOW-UHFFFAOYSA-N 2 0 406.618 4.198 50 0 HIAARP CCCOc1c(Br)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000020967539 558424810 /nfs/dbraw/zinc/42/48/10/558424810.db2.gz HSWYBLDGGULRIY-UHFFFAOYSA-N 2 0 420.189 4.090 50 0 HIAARP OCC[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013733280 558587668 /nfs/dbraw/zinc/58/76/68/558587668.db2.gz KCEOYZBRFOFWMB-UHFFFAOYSA-N 2 0 406.357 4.058 50 0 HIAARP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000095458245 568618957 /nfs/dbraw/zinc/61/89/57/568618957.db2.gz ZIQMMWGMIUCRGE-UHFFFAOYSA-N 2 0 404.917 4.051 50 0 HIAARP OCC[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247755209 568745675 /nfs/dbraw/zinc/74/56/75/568745675.db2.gz YUVJUANRLIWXGY-UHFFFAOYSA-N 2 0 406.357 4.058 50 0 HIAARP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc(Br)c1O ZINC000008039073 568970031 /nfs/dbraw/zinc/97/00/31/568970031.db2.gz OXYHROXTXRSMLJ-UHFFFAOYSA-N 2 0 405.336 4.049 50 0 HIAARP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)o1 ZINC000006085687 568997967 /nfs/dbraw/zinc/99/79/67/568997967.db2.gz QVYRVOYVLWHYPT-QFIPXVFZSA-N 2 0 413.562 4.087 50 0 HIAARP COc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606822 569244961 /nfs/dbraw/zinc/24/49/61/569244961.db2.gz DLCKJWFNVVVZBL-FCHUYYIVSA-N 2 0 417.594 4.067 50 0 HIAARP CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000011938224 845842157 /nfs/dbraw/zinc/84/21/57/845842157.db2.gz KWDIRFMKOFAEPJ-HSZRJFAPSA-N 2 0 412.622 4.083 50 0 HIAARP COc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012057278 845850879 /nfs/dbraw/zinc/85/08/79/845850879.db2.gz GPODTEDHBROAMS-HSZRJFAPSA-N 2 0 422.569 4.218 50 0 HIAARP C[N@@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865628 /nfs/dbraw/zinc/86/56/28/845865628.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 2 0 416.993 4.098 50 0 HIAARP C[N@H+](Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000012439650 845871575 /nfs/dbraw/zinc/87/15/75/845871575.db2.gz LITGYBPBLBFSHO-XMMPIXPASA-N 2 0 419.569 4.092 50 0 HIAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCCCC1 ZINC000020993828 846398783 /nfs/dbraw/zinc/39/87/83/846398783.db2.gz GGFMGVQSMVTWRS-UHFFFAOYSA-N 2 0 411.634 4.198 50 0 HIAARP CC(C)Cc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000011819472 558282680 /nfs/dbraw/zinc/28/26/80/558282680.db2.gz FTMNZZCUTNAZFC-DEOSSOPVSA-N 2 0 402.627 4.244 50 0 HIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CC[NH+](C)CC1 ZINC000011842906 558287880 /nfs/dbraw/zinc/28/78/80/558287880.db2.gz OORXKGNSWLECSR-NRFANRHFSA-N 2 0 423.601 4.491 50 0 HIAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCc1cccc(F)c1)C1CCCCC1 ZINC000012052398 558314601 /nfs/dbraw/zinc/31/46/01/558314601.db2.gz DOBKVKURJCPNQV-DEOSSOPVSA-N 2 0 414.565 4.162 50 0 HIAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000012073511 558318478 /nfs/dbraw/zinc/31/84/78/558318478.db2.gz CDGPDOSBQGQUKQ-RUZDIDTESA-N 2 0 422.544 4.030 50 0 HIAARP Cc1ccc(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)o1 ZINC000012313804 558377277 /nfs/dbraw/zinc/37/72/77/558377277.db2.gz WDLUYEZDSBROSU-QFIPXVFZSA-N 2 0 400.563 4.224 50 0 HIAARP Cc1ccc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585849 558433842 /nfs/dbraw/zinc/43/38/42/558433842.db2.gz XSXLCZBLRZOHIX-XMMPIXPASA-N 2 0 422.544 4.296 50 0 HIAARP Cc1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585854 558433949 /nfs/dbraw/zinc/43/39/49/558433949.db2.gz XSXLCZBLRZOHIX-DEOSSOPVSA-N 2 0 422.544 4.296 50 0 HIAARP CCCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012711402 558452684 /nfs/dbraw/zinc/45/26/84/558452684.db2.gz WYYJHSSROOWZPR-XMMPIXPASA-N 2 0 402.627 4.237 50 0 HIAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)CC1 ZINC000014878909 558675473 /nfs/dbraw/zinc/67/54/73/558675473.db2.gz PWBZSIFTUWCORU-VWLOTQADSA-N 2 0 417.597 4.120 50 0 HIAARP O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CC1([NH+]2CCCCC2)CCCC1 ZINC000014998249 558696861 /nfs/dbraw/zinc/69/68/61/558696861.db2.gz GEDZGYUAGOTQDZ-NRFANRHFSA-N 2 0 401.570 4.095 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000015061750 558704701 /nfs/dbraw/zinc/70/47/01/558704701.db2.gz QVTIXPVCBGHYAY-NRFANRHFSA-N 2 0 403.636 4.001 50 0 HIAARP O=C(C[N@@H+]1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000058061427 558897322 /nfs/dbraw/zinc/89/73/22/558897322.db2.gz BPQHQHVEMDVQCF-HSZRJFAPSA-N 2 0 413.512 4.280 50 0 HIAARP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000061112984 559215037 /nfs/dbraw/zinc/21/50/37/559215037.db2.gz JOTUMZQZYDQGNL-NQIIRXRSSA-N 2 0 414.619 4.082 50 0 HIAARP COc1cc(C[NH2+]C2CCCCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000011661908 845823409 /nfs/dbraw/zinc/82/34/09/845823409.db2.gz RXADWMTYKSTYQN-JOCHJYFZSA-N 2 0 404.595 4.123 50 0 HIAARP CCc1nc(C)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012306676 845866865 /nfs/dbraw/zinc/86/68/65/845866865.db2.gz JEMPTBOLEKVFQF-XMMPIXPASA-N 2 0 424.633 4.482 50 0 HIAARP C[N@H+](Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000012439649 845871628 /nfs/dbraw/zinc/87/16/28/845871628.db2.gz LITGYBPBLBFSHO-DEOSSOPVSA-N 2 0 419.569 4.092 50 0 HIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012593878 845878541 /nfs/dbraw/zinc/87/85/41/845878541.db2.gz ABAQRSBNZMHZJL-QGZVFWFLSA-N 2 0 409.977 4.024 50 0 HIAARP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759552 845889269 /nfs/dbraw/zinc/88/92/69/845889269.db2.gz OFCFDEHTULXKCX-RUZDIDTESA-N 2 0 420.597 4.105 50 0 HIAARP CCn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000011664647 558268183 /nfs/dbraw/zinc/26/81/83/558268183.db2.gz YBHLMQWZUJTIFZ-UHFFFAOYSA-N 2 0 420.601 4.451 50 0 HIAARP Cc1ccc(C[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)s1 ZINC000011973894 558305237 /nfs/dbraw/zinc/30/52/37/558305237.db2.gz VSVTUBMJSBABBW-UHFFFAOYSA-N 2 0 419.664 4.143 50 0 HIAARP COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 ZINC000020905741 558420827 /nfs/dbraw/zinc/42/08/27/558420827.db2.gz MMCFHQLVJPMDDL-DEOSSOPVSA-N 2 0 414.615 4.170 50 0 HIAARP C[NH+](Cc1ccccc1)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012594989 558437111 /nfs/dbraw/zinc/43/71/11/558437111.db2.gz VNHQXCQKZLFNDZ-RUZDIDTESA-N 2 0 404.554 4.190 50 0 HIAARP COCc1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OC ZINC000012595983 558437710 /nfs/dbraw/zinc/43/77/10/558437710.db2.gz XCIZBBAEALPMSP-UHFFFAOYSA-N 2 0 414.565 4.367 50 0 HIAARP O=C(/C=C/c1ccco1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014969122 558686815 /nfs/dbraw/zinc/68/68/15/558686815.db2.gz RISNANCGNDEBDH-CHHLAKQQSA-N 2 0 413.606 4.262 50 0 HIAARP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305009 558757039 /nfs/dbraw/zinc/75/70/39/558757039.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 2 0 405.586 4.024 50 0 HIAARP Cc1ccc(F)cc1C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012595390 568869073 /nfs/dbraw/zinc/86/90/73/568869073.db2.gz FPQLIEARAXURTK-QHCPKHFHSA-N 2 0 400.538 4.040 50 0 HIAARP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000012876342 569013665 /nfs/dbraw/zinc/01/36/65/569013665.db2.gz DEVUPQDYTUPFTL-HXUWFJFHSA-N 2 0 401.554 4.271 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2cc(OC)cc(OC)c2)CC2CC[NH+](C)CC2)cc1 ZINC000011842564 845838112 /nfs/dbraw/zinc/83/81/12/845838112.db2.gz GAVDTZZNASPDIJ-UHFFFAOYSA-N 2 0 412.574 4.099 50 0 HIAARP COCC[N@@H+](Cc1cccc(F)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012431817 845870478 /nfs/dbraw/zinc/87/04/78/845870478.db2.gz JPEKANOVPLJZBL-UHFFFAOYSA-N 2 0 400.538 4.195 50 0 HIAARP C[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)Cc1ccnc2ccccc12 ZINC000013636580 845917610 /nfs/dbraw/zinc/91/76/10/845917610.db2.gz BWXVQCRKPHRWFP-HSZRJFAPSA-N 2 0 419.569 4.092 50 0 HIAARP CCOc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000015075296 846006526 /nfs/dbraw/zinc/00/65/26/846006526.db2.gz CEPLZMPCLRCCDS-HSZRJFAPSA-N 2 0 416.606 4.427 50 0 HIAARP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000023338523 846686568 /nfs/dbraw/zinc/68/65/68/846686568.db2.gz RNLOYHIMNUSECV-UHFFFAOYSA-N 2 0 411.634 4.245 50 0 HIAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C1CCCCC1 ZINC000011951729 558302943 /nfs/dbraw/zinc/30/29/43/558302943.db2.gz RRZXLYPNCCUACW-XMMPIXPASA-N 2 0 408.586 4.470 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000012478790 558423101 /nfs/dbraw/zinc/42/31/01/558423101.db2.gz KTYHHBARXDOVLB-UHFFFAOYSA-N 2 0 409.574 4.040 50 0 HIAARP Cc1cccc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)c1 ZINC000012582161 558432877 /nfs/dbraw/zinc/43/28/77/558432877.db2.gz FSTJGPPFERGLKQ-RUZDIDTESA-N 2 0 404.554 4.157 50 0 HIAARP COc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708766 558451046 /nfs/dbraw/zinc/45/10/46/558451046.db2.gz QQWPOQYVSDYXLX-DEOSSOPVSA-N 2 0 416.606 4.339 50 0 HIAARP CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014532858 558656876 /nfs/dbraw/zinc/65/68/76/558656876.db2.gz CRSBZXGORLZHEH-RCZVLFRGSA-N 2 0 407.602 4.146 50 0 HIAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)CC1 ZINC000014878910 558675443 /nfs/dbraw/zinc/67/54/43/558675443.db2.gz PWBZSIFTUWCORU-RUZDIDTESA-N 2 0 417.597 4.120 50 0 HIAARP CCOc1ccc2nc(C[N@H+](CC)CC3CC[NH+](C4CCN(C)CC4)CC3)ccc2c1 ZINC000015063784 558706380 /nfs/dbraw/zinc/70/63/80/558706380.db2.gz PWFGLQFVODJLOY-UHFFFAOYSA-N 2 0 424.633 4.262 50 0 HIAARP CC[N@@H+](Cc1cccc2nonc21)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055153794 558874457 /nfs/dbraw/zinc/87/44/57/558874457.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 2 0 408.546 4.008 50 0 HIAARP CCC(CC)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000058193381 558910743 /nfs/dbraw/zinc/91/07/43/558910743.db2.gz UKLXUKMVKANWEP-JOCHJYFZSA-N 2 0 420.667 4.160 50 0 HIAARP Cc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)on1 ZINC000095502635 559082581 /nfs/dbraw/zinc/08/25/81/559082581.db2.gz HBHAXFXWADODLQ-OAQYLSRUSA-N 2 0 401.526 4.015 50 0 HIAARP COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011817126 559260400 /nfs/dbraw/zinc/26/04/00/559260400.db2.gz YBMCGBJDCMGVRW-JOCHJYFZSA-N 2 0 404.595 4.123 50 0 HIAARP OCC[NH2+]CCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247750784 568745719 /nfs/dbraw/zinc/74/57/19/568745719.db2.gz VLRFTXKROWKXNP-UHFFFAOYSA-N 2 0 406.357 4.058 50 0 HIAARP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+](C)C(C2CC2)C2CC2)c1)C1CCCCC1 ZINC000012480306 845874144 /nfs/dbraw/zinc/87/41/44/845874144.db2.gz MAOQAPILLHKDGY-HSZRJFAPSA-N 2 0 400.607 4.311 50 0 HIAARP c1ccc(COC2CC[NH+](Cc3ccc4c(c3)C[N@@H+](CC3CC3)CCO4)CC2)cc1 ZINC000014986836 845996650 /nfs/dbraw/zinc/99/66/50/845996650.db2.gz NZNVOYSPJPXEEQ-UHFFFAOYSA-N 2 0 406.570 4.472 50 0 HIAARP CCOc1cccc(C[NH+]2CCC3(CC[C@@H](C[N@H+](C)Cc4ccncc4)O3)CC2)c1 ZINC000257188066 854233829 /nfs/dbraw/zinc/23/38/29/854233829.db2.gz DGVOVEAZAJSORV-DEOSSOPVSA-N 2 0 409.574 4.126 50 0 HIAARP CCOc1cccc(C[NH+]2CCC3(CC[C@H](C[N@H+](C)Cc4ccncc4)O3)CC2)c1 ZINC000257188067 854234194 /nfs/dbraw/zinc/23/41/94/854234194.db2.gz DGVOVEAZAJSORV-XMMPIXPASA-N 2 0 409.574 4.126 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2csc(C(C)=O)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012297541 558367628 /nfs/dbraw/zinc/36/76/28/558367628.db2.gz VBKIKTJIVYSDDU-UHFFFAOYSA-N 2 0 400.588 4.346 50 0 HIAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2ccccc2F)c1)C1CCCCC1 ZINC000012701256 558447634 /nfs/dbraw/zinc/44/76/34/558447634.db2.gz AALAZQLTDYDKNQ-JOCHJYFZSA-N 2 0 400.538 4.120 50 0 HIAARP COCC[N@@H+](Cc1cccc(F)c1F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000055152889 558874151 /nfs/dbraw/zinc/87/41/51/558874151.db2.gz KGQSDQSZLCQFNS-UHFFFAOYSA-N 2 0 418.528 4.334 50 0 HIAARP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCN(Cc2cccnc2)CC1 ZINC000055168421 558874984 /nfs/dbraw/zinc/87/49/84/558874984.db2.gz INURIVGLZHAHSP-UHFFFAOYSA-N 2 0 424.608 4.072 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000011767238 559258770 /nfs/dbraw/zinc/25/87/70/559258770.db2.gz JBQNCVLWGWHZHF-GOSISDBHSA-N 2 0 409.977 4.072 50 0 HIAARP O[C@H](COc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1)C[NH+]1CCCCCC1 ZINC000012715813 568917954 /nfs/dbraw/zinc/91/79/54/568917954.db2.gz GPUSANHPLAYCOC-QFIPXVFZSA-N 2 0 402.966 4.246 50 0 HIAARP CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000011938225 845841831 /nfs/dbraw/zinc/84/18/31/845841831.db2.gz KWDIRFMKOFAEPJ-QHCPKHFHSA-N 2 0 412.622 4.083 50 0 HIAARP CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](CC(C)(C)C)CCO3)C1 ZINC000012149168 845855872 /nfs/dbraw/zinc/85/58/72/845855872.db2.gz DTHDHEICRBWURC-NRFANRHFSA-N 2 0 415.622 4.008 50 0 HIAARP O=C(CCC1CC[NH+](Cc2ccsc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012315771 845867045 /nfs/dbraw/zinc/86/70/45/845867045.db2.gz MCBCCLBUWGFXCE-HSZRJFAPSA-N 2 0 411.615 4.131 50 0 HIAARP CCN1CCC([N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747609 845888821 /nfs/dbraw/zinc/88/88/21/845888821.db2.gz BCCRVAFQAMCAQG-SANMLTNESA-N 2 0 413.650 4.172 50 0 HIAARP CCc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000011821978 558285144 /nfs/dbraw/zinc/28/51/44/558285144.db2.gz NIPWLPPSJSNAHO-UHFFFAOYSA-N 2 0 420.645 4.452 50 0 HIAARP CCn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000011937198 558301133 /nfs/dbraw/zinc/30/11/33/558301133.db2.gz JLXNDINUQOSVFY-OAQYLSRUSA-N 2 0 424.633 4.206 50 0 HIAARP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)s1 ZINC000012192336 558347797 /nfs/dbraw/zinc/34/77/97/558347797.db2.gz WDEYYECDJJRNGE-OAQYLSRUSA-N 2 0 402.604 4.351 50 0 HIAARP CN1CCC([NH+]2CCC(C[N@H+](CCCc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012308508 558376769 /nfs/dbraw/zinc/37/67/69/558376769.db2.gz RCHSFXFDMIYIRH-UHFFFAOYSA-N 2 0 420.645 4.323 50 0 HIAARP CC[N@@H+](Cc1cccc(-n2nc(C)cc2C)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012430551 558405111 /nfs/dbraw/zinc/40/51/11/558405111.db2.gz LROSZJRKBKFYJW-UHFFFAOYSA-N 2 0 423.649 4.117 50 0 HIAARP CCOCc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)ccc1OC ZINC000012459811 558418870 /nfs/dbraw/zinc/41/88/70/558418870.db2.gz AJWHBABHGADVOB-UHFFFAOYSA-N 2 0 400.563 4.477 50 0 HIAARP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000012477890 558422763 /nfs/dbraw/zinc/42/27/63/558422763.db2.gz GTYCTHARFAQNQZ-JOCHJYFZSA-N 2 0 420.041 4.173 50 0 HIAARP C[N@@H+](Cc1cccn1-c1ccccn1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012448768 558642316 /nfs/dbraw/zinc/64/23/16/558642316.db2.gz RHOICYIVXHTWFT-UHFFFAOYSA-N 2 0 406.549 4.398 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2ccc(OC)c(OC)c2)CC2CC[NH+](C)CC2)cc1 ZINC000014974488 558688566 /nfs/dbraw/zinc/68/85/66/558688566.db2.gz APNRPJJIQSTWPI-UHFFFAOYSA-N 2 0 412.574 4.099 50 0 HIAARP CC[N@@H+](Cc1cccc2nonc21)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055153792 558874509 /nfs/dbraw/zinc/87/45/09/558874509.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 2 0 408.546 4.008 50 0 HIAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000004679752 558890869 /nfs/dbraw/zinc/89/08/69/558890869.db2.gz QHPJBPSDDIVCAK-UHFFFAOYSA-N 2 0 413.993 4.142 50 0 HIAARP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)cc2)CC1 ZINC000067338971 558986287 /nfs/dbraw/zinc/98/62/87/558986287.db2.gz MZEIAUZHITWIRZ-UHFFFAOYSA-N 2 0 406.574 4.067 50 0 HIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000011767255 559258735 /nfs/dbraw/zinc/25/87/35/559258735.db2.gz JBQNCVLWGWHZHF-SFHVURJKSA-N 2 0 409.977 4.072 50 0 HIAARP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)o1 ZINC000006085690 568997974 /nfs/dbraw/zinc/99/79/74/568997974.db2.gz QVYRVOYVLWHYPT-JOCHJYFZSA-N 2 0 413.562 4.087 50 0 HIAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000170639713 569281473 /nfs/dbraw/zinc/28/14/73/569281473.db2.gz WZOZSPVNJGEACT-QFIPXVFZSA-N 2 0 401.595 4.087 50 0 HIAARP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012054250 845851214 /nfs/dbraw/zinc/85/12/14/845851214.db2.gz ACJZAHYZAFLZJN-HSZRJFAPSA-N 2 0 413.650 4.430 50 0 HIAARP COC(=O)Cn1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000012320258 845868221 /nfs/dbraw/zinc/86/82/21/845868221.db2.gz DAWYQCMPRUXMJH-UHFFFAOYSA-N 2 0 423.557 4.060 50 0 HIAARP Cc1cccnc1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012434973 845871144 /nfs/dbraw/zinc/87/11/44/845871144.db2.gz ILEIPNYTIJVEIO-HSZRJFAPSA-N 2 0 411.590 4.026 50 0 HIAARP Cc1ccc(F)cc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014954966 845994250 /nfs/dbraw/zinc/99/42/50/845994250.db2.gz HLLFVAQJJRZLRK-RUZDIDTESA-N 2 0 422.544 4.296 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2ccc(F)c(OC)c2)CC2CC[NH+](C)CC2)cc1 ZINC000014948278 845994846 /nfs/dbraw/zinc/99/48/46/845994846.db2.gz JNULFAFHTXXIEZ-UHFFFAOYSA-N 2 0 400.538 4.229 50 0 HIAARP O[C@H](COc1ccc(Cl)cc1C[NH2+]Cc1ccsc1)C[NH+]1CCCCCC1 ZINC000015069018 846005539 /nfs/dbraw/zinc/00/55/39/846005539.db2.gz XDOUSRJNFAWODN-FQEVSTJZSA-N 2 0 408.995 4.307 50 0 HIAARP COc1ccc(C[NH2+]Cc2cccs2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015079615 846006722 /nfs/dbraw/zinc/00/67/22/846006722.db2.gz GBCFHVHHZCPPKB-HXUWFJFHSA-N 2 0 418.603 4.052 50 0 HIAARP Cc1cccc(COc2ccc(Br)cc2C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000040720373 524446170 /nfs/dbraw/zinc/44/61/70/524446170.db2.gz XPAJEXFLHWMXCC-UHFFFAOYSA-N 2 0 403.364 4.426 50 0 HIAARP c1cc(C[NH2+]CCC[NH+]2CCCCCC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576853 526425868 /nfs/dbraw/zinc/42/58/68/526425868.db2.gz UPLGFHBWGDDWJP-UHFFFAOYSA-N 2 0 416.639 4.065 50 0 HIAARP COc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011838842 558285654 /nfs/dbraw/zinc/28/56/54/558285654.db2.gz FDHNEKDPDDRGRC-QHCPKHFHSA-N 2 0 404.570 4.470 50 0 HIAARP O=C(CCC1CC[NH+](Cc2ccccc2F)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011878912 558293451 /nfs/dbraw/zinc/29/34/51/558293451.db2.gz MNAWKCDGDLOPET-DEOSSOPVSA-N 2 0 423.576 4.209 50 0 HIAARP C[N@@H+](Cc1cccn1-c1ccccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012308791 558376999 /nfs/dbraw/zinc/37/69/99/558376999.db2.gz GSGBTKOMMRLJQL-UHFFFAOYSA-N 2 0 406.549 4.398 50 0 HIAARP Fc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000014887035 558677568 /nfs/dbraw/zinc/67/75/68/558677568.db2.gz KBUPEMBXGWSAFS-LJQANCHMSA-N 2 0 400.567 4.183 50 0 HIAARP COCC[N@@H+](Cc1ccc(OC)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014973909 558688584 /nfs/dbraw/zinc/68/85/84/558688584.db2.gz MYQZWMWTHNEZET-UHFFFAOYSA-N 2 0 412.574 4.064 50 0 HIAARP CCOc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1CO ZINC000014980860 558691256 /nfs/dbraw/zinc/69/12/56/558691256.db2.gz UWZWGYWGIRHIPS-UHFFFAOYSA-N 2 0 414.565 4.103 50 0 HIAARP Brc1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)cc2c1OCO2 ZINC000058157635 558903434 /nfs/dbraw/zinc/90/34/34/558903434.db2.gz AWLYGSSANCBTIG-OAHLLOKOSA-N 2 0 409.349 4.166 50 0 HIAARP C[C@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000012876349 569013696 /nfs/dbraw/zinc/01/36/96/569013696.db2.gz DEVUPQDYTUPFTL-FQEVSTJZSA-N 2 0 401.554 4.271 50 0 HIAARP c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nsnc12 ZINC000011956497 845843991 /nfs/dbraw/zinc/84/39/91/845843991.db2.gz LXFQAGCGSJDVPF-OAQYLSRUSA-N 2 0 414.619 4.327 50 0 HIAARP CCc1nc(C)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012306671 845866825 /nfs/dbraw/zinc/86/68/25/845866825.db2.gz JEMPTBOLEKVFQF-DEOSSOPVSA-N 2 0 424.633 4.482 50 0 HIAARP CC[N@H+](Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012308238 845867311 /nfs/dbraw/zinc/86/73/11/845867311.db2.gz MCNKDPHYQQZDLF-DEOSSOPVSA-N 2 0 411.590 4.108 50 0 HIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000012453930 845872692 /nfs/dbraw/zinc/87/26/92/845872692.db2.gz YYHQQFFCYHMLMX-OAQYLSRUSA-N 2 0 413.631 4.494 50 0 HIAARP CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000040719645 519777560 /nfs/dbraw/zinc/77/75/60/519777560.db2.gz OZJSNELWSCWIPK-UHFFFAOYSA-N 2 0 420.189 4.088 50 0 HIAARP CCn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000011820383 558283600 /nfs/dbraw/zinc/28/36/00/558283600.db2.gz MULNNVGUTLXXHZ-UHFFFAOYSA-N 2 0 420.601 4.451 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cccn3-c3cccnc3)CC2)cc1 ZINC000011821503 558284745 /nfs/dbraw/zinc/28/47/45/558284745.db2.gz OLIUOQWALBKTGP-UHFFFAOYSA-N 2 0 418.585 4.267 50 0 HIAARP O[C@@H](COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1)C[NH+]1CCCCC1 ZINC000012314808 558378259 /nfs/dbraw/zinc/37/82/59/558378259.db2.gz DGEMQADHUMTSLA-OAQYLSRUSA-N 2 0 422.491 4.221 50 0 HIAARP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305010 558757009 /nfs/dbraw/zinc/75/70/09/558757009.db2.gz PJRMFQGLSRNIKD-DHLKQENFSA-N 2 0 405.586 4.024 50 0 HIAARP Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)CC2)o1 ZINC000095516794 559084588 /nfs/dbraw/zinc/08/45/88/559084588.db2.gz PIBLNWKDYAXPPE-IBGZPJMESA-N 2 0 401.576 4.058 50 0 HIAARP COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)c2)cc1 ZINC000017319409 560708799 /nfs/dbraw/zinc/70/87/99/560708799.db2.gz WKMBXQBHOOCVFG-UHFFFAOYSA-N 2 0 403.526 4.299 50 0 HIAARP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000095951439 568667695 /nfs/dbraw/zinc/66/76/95/568667695.db2.gz OKBCEXKKDKQCEQ-GASCZTMLSA-N 2 0 409.393 4.410 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2cccc(OC)c2OC)CC2CC[NH+](C)CC2)cc1 ZINC000012432386 845870029 /nfs/dbraw/zinc/87/00/29/845870029.db2.gz AUFNZIHUQOASEJ-UHFFFAOYSA-N 2 0 412.574 4.099 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)CC2CC[NH+](C)CC2)cc1 ZINC000012439738 845871079 /nfs/dbraw/zinc/87/10/79/845871079.db2.gz NHVLFPAQAJLGOT-UHFFFAOYSA-N 2 0 412.622 4.476 50 0 HIAARP C[NH+](C[C@H](O)COc1cccc(C[N@@H+](C)C(C2CC2)C2CC2)c1)C1CCCCC1 ZINC000012480314 845874413 /nfs/dbraw/zinc/87/44/13/845874413.db2.gz MAOQAPILLHKDGY-QHCPKHFHSA-N 2 0 400.607 4.311 50 0 HIAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)C/C=C/c2ccc(O)c(OC)c2)CC1 ZINC000012756015 845888952 /nfs/dbraw/zinc/88/89/52/845888952.db2.gz VAABLVVLXAEYGW-VOTSOKGWSA-N 2 0 424.585 4.309 50 0 HIAARP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCc2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257187860 854233667 /nfs/dbraw/zinc/23/36/67/854233667.db2.gz COABDNARIUPWSG-QHCPKHFHSA-N 2 0 417.557 4.045 50 0 HIAARP CC[NH+]1CCN(c2nc3cc4c(cc3cc2C[NH2+]CCC2=CCCCC2)OCO4)CC1 ZINC000011788249 132350733 /nfs/dbraw/zinc/35/07/33/132350733.db2.gz SWKAJVAKZUDORG-UHFFFAOYSA-N 2 0 422.573 4.086 50 0 HIAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012516848 132361483 /nfs/dbraw/zinc/36/14/83/132361483.db2.gz SPYMVYOYYQIDSH-NRFANRHFSA-N 2 0 420.601 4.390 50 0 HIAARP COc1ccc(CC[N@@H+](Cc2ccc3nsnc3c2)CC2CC[NH+](C)CC2)cc1 ZINC000020540827 523942153 /nfs/dbraw/zinc/94/21/53/523942153.db2.gz WBMVMUBWLDBSCF-UHFFFAOYSA-N 2 0 410.587 4.086 50 0 HIAARP CC(C)[NH+](CC[C@@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000004213023 557529134 /nfs/dbraw/zinc/52/91/34/557529134.db2.gz YKFWMDHZMQLWBO-HSZRJFAPSA-N 2 0 408.030 4.448 50 0 in-man HIAARP CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000019720669 558258967 /nfs/dbraw/zinc/25/89/67/558258967.db2.gz XPCDCSADDXHTLW-OAQYLSRUSA-N 2 0 412.599 4.444 50 0 HIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000012317787 558381192 /nfs/dbraw/zinc/38/11/92/558381192.db2.gz RQVSSKFWSZDDBZ-UHFFFAOYSA-N 2 0 418.585 4.472 50 0 HIAARP c1cc2c(c(C[N@H+](C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c1)OCO2 ZINC000012439455 558410778 /nfs/dbraw/zinc/41/07/78/558410778.db2.gz MYAHPKWXQVCGBS-JOCHJYFZSA-N 2 0 400.563 4.051 50 0 HIAARP COc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708767 558451037 /nfs/dbraw/zinc/45/10/37/558451037.db2.gz QQWPOQYVSDYXLX-XMMPIXPASA-N 2 0 416.606 4.339 50 0 HIAARP O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1CC1([NH+]2CCCCC2)CCCC1 ZINC000014998252 558696826 /nfs/dbraw/zinc/69/68/26/558696826.db2.gz GEDZGYUAGOTQDZ-OAQYLSRUSA-N 2 0 401.570 4.095 50 0 HIAARP C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000067604951 558988675 /nfs/dbraw/zinc/98/86/75/558988675.db2.gz MEIFBNWDJAGNNE-UHFFFAOYSA-N 2 0 407.558 4.398 50 0 HIAARP CN1CC[NH+](CCc2ccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992567 568677785 /nfs/dbraw/zinc/67/77/85/568677785.db2.gz IBHDWMCBTNUVKR-AREMUKBSSA-N 2 0 420.645 4.332 50 0 HIAARP