smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424316886 1042756378 /nfs/dbraw/zinc/75/63/78/1042756378.db2.gz QNGOQJMGDHZBAH-SFHVURJKSA-N 2 0 329.513 3.748 50 0 EHAARP O=C(CCC[NH+]1CCCCCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952988625 1137485835 /nfs/dbraw/zinc/48/58/35/1137485835.db2.gz ONSFAJNZWCGELM-UHFFFAOYSA-N 2 0 343.515 3.877 50 0 EHAARP Cc1[nH+]c(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c2ccccn12 ZINC000106944561 204221579 /nfs/dbraw/zinc/22/15/79/204221579.db2.gz OTSJHUJQJPPEJO-OAQYLSRUSA-N 2 0 340.515 3.585 50 0 EHAARP Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(OCC[NH+](C)C)c1 ZINC000003738374 563487390 /nfs/dbraw/zinc/48/73/90/563487390.db2.gz UYYSCOZGLPIEKR-OAQYLSRUSA-N 2 0 349.478 3.652 50 0 EHAARP C[NH2+]C1CC[NH+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000063870651 563956341 /nfs/dbraw/zinc/95/63/41/563956341.db2.gz ARMXYDOMZQKJGD-UHFFFAOYSA-N 2 0 339.483 3.599 50 0 EHAARP CC1(C)C[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)CC[C@]1(C)O ZINC000091817614 563975797 /nfs/dbraw/zinc/97/57/97/563975797.db2.gz FGRFSMJVTRQYPB-IBGZPJMESA-N 2 0 336.545 3.717 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005348802 564002965 /nfs/dbraw/zinc/00/29/65/564002965.db2.gz GRUUTXSLUORAFV-PMACEKPBSA-N 2 0 332.532 3.907 50 0 EHAARP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000123281731 564085923 /nfs/dbraw/zinc/08/59/23/564085923.db2.gz ZOAJJSZDEJSXCZ-IOMROCGXSA-N 2 0 342.527 3.659 50 0 EHAARP CCCC[N@H+](C)CC1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000170603414 564109530 /nfs/dbraw/zinc/10/95/30/564109530.db2.gz PWULCHFUHCKNSH-UHFFFAOYSA-N 2 0 327.472 3.889 50 0 EHAARP Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544800 1131568517 /nfs/dbraw/zinc/56/85/17/1131568517.db2.gz BHNUUWIJPIZOQR-HXUWFJFHSA-N 2 0 346.478 3.699 50 0 EHAARP CC(C)C(C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)C ZINC000585081249 1136966591 /nfs/dbraw/zinc/96/65/91/1136966591.db2.gz MSSIMKGDZCPZNU-UHFFFAOYSA-N 2 0 332.532 3.661 50 0 EHAARP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccnn1C ZINC000192649197 533458339 /nfs/dbraw/zinc/45/83/39/533458339.db2.gz ACEVAWLABOGBIY-QGZVFWFLSA-N 2 0 348.494 4.000 50 0 EHAARP C[N@@H+](Cc1ccccn1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011818631 563651491 /nfs/dbraw/zinc/65/14/91/563651491.db2.gz BWUZBWWRXBQBJQ-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP Cc1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(C)o2)s1 ZINC000067675664 563962462 /nfs/dbraw/zinc/96/24/62/563962462.db2.gz SHBGYCJGAQKWBW-UHFFFAOYSA-N 2 0 331.485 3.595 50 0 EHAARP CN1CC[C@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652939 563996090 /nfs/dbraw/zinc/99/60/90/563996090.db2.gz CTHBCLQYGKXSJR-CXAGYDPISA-N 2 0 342.911 3.957 50 0 EHAARP CN(c1ccccc1C[NH2+]Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000089375226 564089939 /nfs/dbraw/zinc/08/99/39/564089939.db2.gz HDNUJTOGDWEJKK-UHFFFAOYSA-N 2 0 329.513 3.568 50 0 EHAARP Cc1cccc(N2CCC([NH2+]Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000952983969 1137485242 /nfs/dbraw/zinc/48/52/42/1137485242.db2.gz SILDPTDNRYBPIY-UHFFFAOYSA-N 2 0 346.478 3.939 50 0 EHAARP Oc1cccc(C2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC000071278762 203088543 /nfs/dbraw/zinc/08/85/43/203088543.db2.gz MAOBVCDBLGTHJF-UHFFFAOYSA-N 2 0 328.500 3.884 50 0 EHAARP Cc1ccc(-c2ccc(N3CCC([N@@H+]4CC[C@H](C[NH3+])C4)CC3)cc2)cc1 ZINC000020207549 563858792 /nfs/dbraw/zinc/85/87/92/563858792.db2.gz JHFHGTCVKBWSEH-LJQANCHMSA-N 2 0 349.522 3.911 50 0 EHAARP C[NH+]1CCC(C)(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)CC1 ZINC000055342200 563934424 /nfs/dbraw/zinc/93/44/24/563934424.db2.gz XASPNDHTDKNIAI-UHFFFAOYSA-N 2 0 341.474 3.955 50 0 EHAARP Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c(C[NH+](C)C)c1 ZINC000097082137 563973160 /nfs/dbraw/zinc/97/31/60/563973160.db2.gz MTMCLKCGLUNHAI-UHFFFAOYSA-N 2 0 338.499 3.528 50 0 EHAARP C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000097638000 563981751 /nfs/dbraw/zinc/98/17/51/563981751.db2.gz XMOBPLJGQQVCJQ-INIZCTEOSA-N 2 0 344.528 3.587 50 0 EHAARP Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC000089583170 564092943 /nfs/dbraw/zinc/09/29/43/564092943.db2.gz GRSHEQJUSIWHHH-IBGZPJMESA-N 2 0 347.462 3.856 50 0 EHAARP c1cn(CCOc2cccc(C[NH2+][C@@H]3CCOc4ccccc43)c2)cn1 ZINC000069869520 203057652 /nfs/dbraw/zinc/05/76/52/203057652.db2.gz FFLMAUARCJODLD-HXUWFJFHSA-N 2 0 349.434 3.576 50 0 EHAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135719 563885086 /nfs/dbraw/zinc/88/50/86/563885086.db2.gz VVRJVEBKDAHHAI-OSLDLMBLSA-N 2 0 338.442 3.984 50 0 EHAARP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2OCc2c(F)cccc2Cl)C1 ZINC000097815038 563981988 /nfs/dbraw/zinc/98/19/88/563981988.db2.gz WPPZWTXUEIRTSE-AWEZNQCLSA-N 2 0 348.849 3.839 50 0 EHAARP CCc1nc(C)cc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)n1 ZINC000253419514 564130967 /nfs/dbraw/zinc/13/09/67/564130967.db2.gz ZNXHHSLFCKEMEM-GOSISDBHSA-N 2 0 340.471 3.605 50 0 EHAARP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2conc2C)cc1 ZINC000888098460 1043261143 /nfs/dbraw/zinc/26/11/43/1043261143.db2.gz JILRFNSXOZECAR-HNNXBMFYSA-N 2 0 331.460 3.554 50 0 EHAARP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C2 ZINC000192442656 1137455785 /nfs/dbraw/zinc/45/57/85/1137455785.db2.gz MYARRQSIXCAQCE-GOSISDBHSA-N 2 0 342.458 3.543 50 0 EHAARP CNc1nc(NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cc(C)[nH+]1 ZINC000952868098 1137483072 /nfs/dbraw/zinc/48/30/72/1137483072.db2.gz BLGSRYALPUVLLH-GOSISDBHSA-N 2 0 339.487 3.856 50 0 EHAARP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641687 564013496 /nfs/dbraw/zinc/01/34/96/564013496.db2.gz GLMGOLARIGOMTN-QRWLVFNGSA-N 2 0 344.886 3.757 50 0 EHAARP Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)n1CC1CC1 ZINC000169787416 1032649118 /nfs/dbraw/zinc/64/91/18/1032649118.db2.gz QQYNOSOTYKFBFM-INIZCTEOSA-N 2 0 345.437 3.944 50 0 EHAARP Cc1nc2sccn2c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000072242422 203185895 /nfs/dbraw/zinc/18/58/95/203185895.db2.gz JBQZRCMAKSNWBE-UHFFFAOYSA-N 2 0 340.496 3.590 50 0 EHAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC000002489941 563433963 /nfs/dbraw/zinc/43/39/63/563433963.db2.gz NPGBUIJTQPHOJG-UHFFFAOYSA-N 2 0 327.516 3.545 50 0 EHAARP CCc1ccc(N2CCC([NH2+][C@@H](C)C(C)(C)C[NH+](C)C)CC2)cc1 ZINC000097377118 563607536 /nfs/dbraw/zinc/60/75/36/563607536.db2.gz BDCSCFYHMPGJNK-KRWDZBQOSA-N 2 0 331.548 3.784 50 0 EHAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091894357 563975839 /nfs/dbraw/zinc/97/58/39/563975839.db2.gz AYILHWODKSIFLH-FQEVSTJZSA-N 2 0 335.495 3.783 50 0 EHAARP CC(C)CC[C@H](CC[NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000002441971 564135252 /nfs/dbraw/zinc/13/52/52/564135252.db2.gz HCXCEIGJTTYITG-QGZVFWFLSA-N 2 0 334.504 3.867 50 0 EHAARP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000067975617 564167402 /nfs/dbraw/zinc/16/74/02/564167402.db2.gz ZGWYVQWRGBFPLO-KRWDZBQOSA-N 2 0 334.467 3.562 50 0 EHAARP C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000194494775 1027575271 /nfs/dbraw/zinc/57/52/71/1027575271.db2.gz CMEOOCJJTQYPIS-SFHVURJKSA-N 2 0 338.495 3.537 50 0 EHAARP CC(C)c1nccn1CCC[NH2+]C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000952978946 1137484770 /nfs/dbraw/zinc/48/47/70/1137484770.db2.gz CKZHQQSWCMBKSF-INIZCTEOSA-N 2 0 343.471 3.594 50 0 EHAARP NC(=[NH2+])c1ccc2oc(/C=C/c3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1 ZINC000001763406 201519554 /nfs/dbraw/zinc/51/95/54/201519554.db2.gz MBFLUZMECMTQLU-ONEGZZNKSA-N 2 0 344.374 3.918 50 0 EHAARP CN1CC[C@@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652943 563996093 /nfs/dbraw/zinc/99/60/93/563996093.db2.gz CTHBCLQYGKXSJR-SUMWQHHRSA-N 2 0 342.911 3.957 50 0 EHAARP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccnn1C ZINC000192649185 564092613 /nfs/dbraw/zinc/09/26/13/564092613.db2.gz ACEVAWLABOGBIY-KRWDZBQOSA-N 2 0 348.494 4.000 50 0 EHAARP Cc1nc(C)c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000095422206 564140062 /nfs/dbraw/zinc/14/00/62/564140062.db2.gz PIKSUQXVZHFGIF-UHFFFAOYSA-N 2 0 343.540 3.599 50 0 EHAARP CSCC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000299778559 258088452 /nfs/dbraw/zinc/08/84/52/258088452.db2.gz GXATXNDIDYKHAX-HXUWFJFHSA-N 2 0 332.557 3.974 50 0 EHAARP CCn1cncc1-c1c(-c2ccccc2)ncn1C[C@@]1(C)CC[N@H+](C)C1 ZINC000065488203 563961428 /nfs/dbraw/zinc/96/14/28/563961428.db2.gz HQDYDXGTFBRHRE-NRFANRHFSA-N 2 0 349.482 3.775 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005348800 564002976 /nfs/dbraw/zinc/00/29/76/564002976.db2.gz GRUUTXSLUORAFV-UXHICEINSA-N 2 0 332.532 3.907 50 0 EHAARP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1C[NH+]1CCCC1 ZINC000089904657 564114960 /nfs/dbraw/zinc/11/49/60/564114960.db2.gz RHUBIRULNOXFEZ-MRXNPFEDSA-N 2 0 325.456 3.537 50 0 EHAARP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000096008363 564144621 /nfs/dbraw/zinc/14/46/21/564144621.db2.gz YNCOOVKBGWLBSC-CALCHBBNSA-N 2 0 336.545 3.502 50 0 EHAARP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151116 564158187 /nfs/dbraw/zinc/15/81/87/564158187.db2.gz IHLXVUHEUKUVGG-KXBFYZLASA-N 2 0 336.907 3.882 50 0 EHAARP C[C@H]1CCCC[N@@H+]1C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000822409509 1130991505 /nfs/dbraw/zinc/99/15/05/1130991505.db2.gz BIJJDPQUBPNVJV-KRWDZBQOSA-N 2 0 347.572 3.793 50 0 EHAARP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000952871696 1137483034 /nfs/dbraw/zinc/48/30/34/1137483034.db2.gz BMRQXBWHQISKTF-INIZCTEOSA-N 2 0 347.846 3.527 50 0 EHAARP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436699 205374748 /nfs/dbraw/zinc/37/47/48/205374748.db2.gz GLMGOLARIGOMTN-MGPUTAFESA-N 2 0 344.886 3.757 50 0 EHAARP COc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1Cl ZINC000010434581 563647997 /nfs/dbraw/zinc/64/79/97/563647997.db2.gz DCVZYKHKVDYXMV-UHFFFAOYSA-N 2 0 334.847 3.698 50 0 EHAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000096162550 563979886 /nfs/dbraw/zinc/97/98/86/563979886.db2.gz QDFZILIUTXFHMB-OAQYLSRUSA-N 2 0 335.495 3.783 50 0 EHAARP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000225509772 564047411 /nfs/dbraw/zinc/04/74/11/564047411.db2.gz PCQDBUAGTGECEA-MHJFOBGBSA-N 2 0 344.524 3.814 50 0 EHAARP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000195541190 564123652 /nfs/dbraw/zinc/12/36/52/564123652.db2.gz BSDGIYBDHXKABB-YTQUADARSA-N 2 0 346.515 3.768 50 0 EHAARP CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000106216953 1044351119 /nfs/dbraw/zinc/35/11/19/1044351119.db2.gz RUGKVPGHVSQADZ-HNNXBMFYSA-N 2 0 333.863 3.815 50 0 EHAARP c1cn(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccccc12 ZINC000952978422 1137484807 /nfs/dbraw/zinc/48/48/07/1137484807.db2.gz QGRDRMYOPHYREG-UHFFFAOYSA-N 2 0 325.500 3.933 50 0 EHAARP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCCCC1 ZINC000952968729 1137485126 /nfs/dbraw/zinc/48/51/26/1137485126.db2.gz FQNNRRHIEGJINO-IBGZPJMESA-N 2 0 329.488 3.519 50 0 EHAARP Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc(CC[NH3+])c4)C3)nc21 ZINC000072158195 203176373 /nfs/dbraw/zinc/17/63/73/203176373.db2.gz HJTXRWGGEBCJQE-IBGZPJMESA-N 2 0 348.494 3.752 50 0 EHAARP C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299786096 258093187 /nfs/dbraw/zinc/09/31/87/258093187.db2.gz MTAPRRBTCXIYLO-OAQYLSRUSA-N 2 0 338.495 3.740 50 0 EHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cnn(C(C)C)c3)CC2)o1 ZINC000011878252 563651812 /nfs/dbraw/zinc/65/18/12/563651812.db2.gz CQHBFQRJRIOXMG-UHFFFAOYSA-N 2 0 344.503 3.709 50 0 EHAARP c1ccc(COc2ccccc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067841213 563962870 /nfs/dbraw/zinc/96/28/70/563962870.db2.gz GMNPJGGZFHYEAN-UHFFFAOYSA-N 2 0 336.479 3.841 50 0 EHAARP CC[NH+]1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000012533002 564058360 /nfs/dbraw/zinc/05/83/60/564058360.db2.gz UORSWOOIOXYVEX-UHFFFAOYSA-N 2 0 334.467 3.599 50 0 EHAARP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370853 564130370 /nfs/dbraw/zinc/13/03/70/564130370.db2.gz XGEQBBXZGMUVCP-OALUTQOASA-N 2 0 345.556 3.583 50 0 EHAARP CCOc1cccc(C[NH2+]CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000095462166 564140811 /nfs/dbraw/zinc/14/08/11/564140811.db2.gz OKVZGYVDNDVTCD-UHFFFAOYSA-N 2 0 339.483 3.877 50 0 EHAARP Cn1ccc2ccc(C[NH+]3CCC(C[NH+]4CCCCC4)CC3)cc21 ZINC000077288080 203378917 /nfs/dbraw/zinc/37/89/17/203378917.db2.gz XZHCFQPSWDPECB-UHFFFAOYSA-N 2 0 325.500 3.876 50 0 EHAARP C[N@@H+](Cc1ccccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012449439 563892574 /nfs/dbraw/zinc/89/25/74/563892574.db2.gz OBBTWKGRUUAFAR-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1F ZINC000058425663 563946036 /nfs/dbraw/zinc/94/60/36/563946036.db2.gz RLLQGMIMKZNUOE-CQSZACIVSA-N 2 0 346.450 3.519 50 0 EHAARP C[NH2+]CCCC[NH2+]C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000063848176 563956153 /nfs/dbraw/zinc/95/61/53/563956153.db2.gz IOAWJVBWMLQNCY-UHFFFAOYSA-N 2 0 327.472 3.505 50 0 EHAARP CC1(C)C[C@@H](N2CCC([NH2+]CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000097165813 563968534 /nfs/dbraw/zinc/96/85/34/563968534.db2.gz WNIWUMULLGDVDH-OAQYLSRUSA-N 2 0 341.543 3.504 50 0 EHAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091624978 563975589 /nfs/dbraw/zinc/97/55/89/563975589.db2.gz SSVUMOKJOUVBTF-OAQYLSRUSA-N 2 0 335.495 3.783 50 0 EHAARP Cc1ncc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c(C)n1 ZINC000090775291 564086518 /nfs/dbraw/zinc/08/65/18/564086518.db2.gz GRVMDIOXHJDLHQ-IVMQYODDSA-N 2 0 330.520 3.787 50 0 EHAARP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000095423609 564140218 /nfs/dbraw/zinc/14/02/18/564140218.db2.gz VVKDJDYKNINAND-JOCHJYFZSA-N 2 0 338.495 3.884 50 0 EHAARP C[C@@H]1C[NH+](CC2CC[NH+](CCCc3ccsc3)CC2)C[C@@H](C)O1 ZINC000096008365 564144641 /nfs/dbraw/zinc/14/46/41/564144641.db2.gz YNCOOVKBGWLBSC-IAGOWNOFSA-N 2 0 336.545 3.502 50 0 EHAARP Cc1cnc([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791952 1032660453 /nfs/dbraw/zinc/66/04/53/1032660453.db2.gz STEKGVIJRAHVIK-HXUWFJFHSA-N 2 0 332.451 3.624 50 0 EHAARP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000192444056 1024009241 /nfs/dbraw/zinc/00/92/41/1024009241.db2.gz ZPCUBEPXNRIJES-IBGZPJMESA-N 2 0 342.527 3.939 50 0 EHAARP COC[C@H]1CCCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215419925 241125090 /nfs/dbraw/zinc/12/50/90/241125090.db2.gz AEIZJJNBOOMKON-HXUWFJFHSA-N 2 0 346.515 3.552 50 0 EHAARP Cc1cc(C)n(CC[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)s2)n1 ZINC000215462622 241126130 /nfs/dbraw/zinc/12/61/30/241126130.db2.gz DTCDLAUFWBKEDD-UHFFFAOYSA-N 2 0 346.544 3.679 50 0 EHAARP c1ccc(C2(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)CCOCC2)cc1 ZINC000067784303 202934161 /nfs/dbraw/zinc/93/41/61/202934161.db2.gz KCPCJMKZTPAVAG-UHFFFAOYSA-N 2 0 342.527 3.637 50 0 EHAARP Cc1cc2c(c(-c3cc(C)cc(C[NH+]4CCCC4)c3)c1)O[C@H](C[NH3+])C2 ZINC000067920675 202947527 /nfs/dbraw/zinc/94/75/27/202947527.db2.gz XILILCWNBXJWPR-FQEVSTJZSA-N 2 0 336.479 3.828 50 0 EHAARP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccs1 ZINC000095423610 218365873 /nfs/dbraw/zinc/36/58/73/218365873.db2.gz TVFRDMAYDGASTF-IBGZPJMESA-N 2 0 344.524 3.946 50 0 EHAARP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccs1 ZINC000095423611 218366305 /nfs/dbraw/zinc/36/63/05/218366305.db2.gz TVFRDMAYDGASTF-LJQANCHMSA-N 2 0 344.524 3.946 50 0 EHAARP CCC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095525532 563977442 /nfs/dbraw/zinc/97/74/42/563977442.db2.gz YFALZZNRTWPIDR-HXUWFJFHSA-N 2 0 348.531 3.533 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005350082 564003008 /nfs/dbraw/zinc/00/30/08/564003008.db2.gz NUXBPJRERSFVCH-RTWAWAEBSA-N 2 0 346.559 3.982 50 0 EHAARP COc1ccc2[nH]c(C[NH2+]CCCn3ccnc3C(C)C)c(C)c2c1 ZINC000952983295 1137485285 /nfs/dbraw/zinc/48/52/85/1137485285.db2.gz JXEHMVIDOODZDT-UHFFFAOYSA-N 2 0 340.471 3.985 50 0 EHAARP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000089840168 564114172 /nfs/dbraw/zinc/11/41/72/564114172.db2.gz MZUYBCUWNXCVQA-KRWDZBQOSA-N 2 0 326.488 3.643 50 0 EHAARP c1csc(CN2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000829078395 1131446934 /nfs/dbraw/zinc/44/69/34/1131446934.db2.gz YFMPMRJDUUEYQV-LJQANCHMSA-N 2 0 326.509 3.860 50 0 EHAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000002489800 563433982 /nfs/dbraw/zinc/43/39/82/563433982.db2.gz HKXARNZRMUNZBX-UHFFFAOYSA-N 2 0 346.346 3.699 50 0 EHAARP Cc1cc2c(c(-c3cc(C)cc(C[NH+]4CCCC4)c3)c1)O[C@@H](C[NH3+])C2 ZINC000067920676 563963093 /nfs/dbraw/zinc/96/30/93/563963093.db2.gz XILILCWNBXJWPR-HXUWFJFHSA-N 2 0 336.479 3.828 50 0 EHAARP CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000248150558 563995356 /nfs/dbraw/zinc/99/53/56/563995356.db2.gz TWTOFPRZEXCURK-SOLBZPMBSA-N 2 0 334.504 3.645 50 0 EHAARP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)COC(C)(C)O2 ZINC000225407976 564046468 /nfs/dbraw/zinc/04/64/68/564046468.db2.gz PDWWYRSJTSHLNJ-OAHLLOKOSA-N 2 0 332.488 3.714 50 0 EHAARP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000225509738 564047399 /nfs/dbraw/zinc/04/73/99/564047399.db2.gz PCQDBUAGTGECEA-SOAGJPPSSA-N 2 0 344.524 3.814 50 0 EHAARP CCn1nc(C)c(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000015069244 564053205 /nfs/dbraw/zinc/05/32/05/564053205.db2.gz KPHAEXZKMMCYLT-FQEVSTJZSA-N 2 0 346.563 3.710 50 0 EHAARP CC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257187889 1038476196 /nfs/dbraw/zinc/47/61/96/1038476196.db2.gz CROKXPHEJOKCCE-FQEVSTJZSA-N 2 0 338.499 3.562 50 0 EHAARP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000585086156 1136981706 /nfs/dbraw/zinc/98/17/06/1136981706.db2.gz PWDRCDKYFBGIOW-DYESRHJHSA-N 2 0 326.484 3.565 50 0 EHAARP c1cn(CCOc2cccc(C[NH2+][C@H]3CCOc4ccccc43)c2)cn1 ZINC000069869523 203057887 /nfs/dbraw/zinc/05/78/87/203057887.db2.gz FFLMAUARCJODLD-FQEVSTJZSA-N 2 0 349.434 3.576 50 0 EHAARP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072126669 203165575 /nfs/dbraw/zinc/16/55/75/203165575.db2.gz RVFPAAFGMQKSCO-GOSISDBHSA-N 2 0 349.478 3.612 50 0 EHAARP Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c2ccccc2[nH+]1 ZINC000095963234 203778312 /nfs/dbraw/zinc/77/83/12/203778312.db2.gz YCHDCLPCXLJPNH-UHFFFAOYSA-N 2 0 327.472 3.845 50 0 EHAARP CC(C)Oc1cccc(CC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000063855649 563956141 /nfs/dbraw/zinc/95/61/41/563956141.db2.gz RTNCKZPQAYQZKK-PZJWPPBQSA-N 2 0 330.516 3.870 50 0 EHAARP Cc1ncc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c(C)n1 ZINC000090775290 564086503 /nfs/dbraw/zinc/08/65/03/564086503.db2.gz GRVMDIOXHJDLHQ-IPJUCJBFSA-N 2 0 330.520 3.787 50 0 EHAARP C[C@H](C[N@H+](C)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000093089264 564137197 /nfs/dbraw/zinc/13/71/97/564137197.db2.gz JPPJKJAFPAYELT-CQSZACIVSA-N 2 0 339.321 3.826 50 0 EHAARP c1sc(C[NH2+]Cc2ccc3nsnc3c2)cc1C[NH+]1CCCC1 ZINC000952960184 1137483762 /nfs/dbraw/zinc/48/37/62/1137483762.db2.gz GIVKDRSVWONKOQ-UHFFFAOYSA-N 2 0 344.509 3.638 50 0 EHAARP CC[N@@H+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CC[NH+](CC)C1 ZINC000952973370 1137484436 /nfs/dbraw/zinc/48/44/36/1137484436.db2.gz IQMPUASEQPOUKJ-CQSZACIVSA-N 2 0 347.890 3.758 50 0 EHAARP C[N@@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCOC(C)(C)C1 ZINC000215081001 241104358 /nfs/dbraw/zinc/10/43/58/241104358.db2.gz JDCICIYKVMCOKG-GOSISDBHSA-N 2 0 330.516 3.919 50 0 EHAARP COCC[N@H+](CC(C)C)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012459632 564053672 /nfs/dbraw/zinc/05/36/72/564053672.db2.gz YVXYOQIZPGPKLB-UHFFFAOYSA-N 2 0 336.495 3.642 50 0 EHAARP CCCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC[NH2+]CC1 ZINC000236837573 564117708 /nfs/dbraw/zinc/11/77/08/564117708.db2.gz SPEVGWCRQZUGEL-UHFFFAOYSA-N 2 0 345.531 3.521 50 0 EHAARP c1cc(C[NH+]2CCCC2)cc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072421884 216210503 /nfs/dbraw/zinc/21/05/03/216210503.db2.gz MOXACVIIJGCIAB-PZJWPPBQSA-N 2 0 328.500 3.926 50 0 EHAARP COC[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215419881 241126547 /nfs/dbraw/zinc/12/65/47/241126547.db2.gz AEIZJJNBOOMKON-FQEVSTJZSA-N 2 0 346.515 3.552 50 0 EHAARP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000218968335 241354805 /nfs/dbraw/zinc/35/48/05/241354805.db2.gz GNBLCUIJTPBFBN-RTBURBONSA-N 2 0 346.515 3.551 50 0 EHAARP C[N@@H+](Cc1cccnc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012449198 211387624 /nfs/dbraw/zinc/38/76/24/211387624.db2.gz CBVXSYCIIZWRBB-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP CC/C=C(\C)C[NH+]1CCC(n2cc(C[N@@H+]3CCCC3(C)C)nn2)CC1 ZINC000048115515 563930062 /nfs/dbraw/zinc/93/00/62/563930062.db2.gz QZOOGRDQLXDUSD-REZTVBANSA-N 2 0 345.535 3.646 50 0 EHAARP C[C@H](C1CC[NH+](Cc2cc(C[NH+]3CCCCC3)cs2)CC1)[NH+](C)C ZINC000077300528 563968841 /nfs/dbraw/zinc/96/88/41/563968841.db2.gz UVDHMQSCSUGYKM-QGZVFWFLSA-N 3 0 349.588 3.896 50 0 EHAARP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2cccs2)n1 ZINC000120906061 564060562 /nfs/dbraw/zinc/06/05/62/564060562.db2.gz GJCDXFXDAGJVTF-UHFFFAOYSA-N 2 0 332.517 3.547 50 0 EHAARP COc1cccc2ccc(C[NH2+]CCCC[NH+]3CCCCCC3)nc21 ZINC000952964770 1137483780 /nfs/dbraw/zinc/48/37/80/1137483780.db2.gz NTIUBLPYPQRWAB-UHFFFAOYSA-N 2 0 341.499 3.989 50 0 EHAARP c1ccc2c(c1)CC[N@@H+](Cc1ccc(OC[C@H]3CCC[NH2+]C3)cc1)C2 ZINC000299787711 258094300 /nfs/dbraw/zinc/09/43/00/258094300.db2.gz ZWQZQEDNLUOBCG-IBGZPJMESA-N 2 0 336.479 3.623 50 0 EHAARP C[NH+]1CCC(O)(Cn2cnc(-c3ccccc3)c2CC(C)(C)C)CC1 ZINC000065405319 563960042 /nfs/dbraw/zinc/96/00/42/563960042.db2.gz KBJKQVYICWKRDX-UHFFFAOYSA-N 2 0 341.499 3.595 50 0 EHAARP C[C@H](c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1)[NH+]1CCOCC1 ZINC000065409105 563960427 /nfs/dbraw/zinc/96/04/27/563960427.db2.gz ZLKVCCRLSWGYKF-OAHLLOKOSA-N 2 0 333.435 3.877 50 0 EHAARP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232115 563970742 /nfs/dbraw/zinc/97/07/42/563970742.db2.gz XGEQBBXZGMUVCP-RBUKOAKNSA-N 2 0 345.556 3.583 50 0 EHAARP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2conc2C)cc1 ZINC000888098462 1043260163 /nfs/dbraw/zinc/26/01/63/1043260163.db2.gz JILRFNSXOZECAR-OAHLLOKOSA-N 2 0 331.460 3.554 50 0 EHAARP CN(CC[NH+]1CCCCCC1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000823719875 1131080005 /nfs/dbraw/zinc/08/00/05/1131080005.db2.gz UZSUXXDGNIPYFT-UHFFFAOYSA-N 2 0 335.561 3.652 50 0 EHAARP Cc1cc(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)cc(C)[nH+]1 ZINC000072440466 216235255 /nfs/dbraw/zinc/23/52/55/216235255.db2.gz MQFGAFDYHCFSPD-UHFFFAOYSA-N 2 0 347.409 3.622 50 0 EHAARP C[C@@H]([NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000095421348 218363569 /nfs/dbraw/zinc/36/35/69/218363569.db2.gz YTWFEDATJQSRIF-XLIONFOSSA-N 2 0 341.499 3.698 50 0 EHAARP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421741 218364142 /nfs/dbraw/zinc/36/41/42/218364142.db2.gz MAVCMLXGHWZTOF-XZOQPEGZSA-N 2 0 349.522 3.642 50 0 EHAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967536 564034069 /nfs/dbraw/zinc/03/40/69/564034069.db2.gz VVRJVEBKDAHHAI-XHSVMWQWSA-N 2 0 338.442 3.984 50 0 EHAARP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000092648767 564089073 /nfs/dbraw/zinc/08/90/73/564089073.db2.gz XKYZNDVFTQFXPE-UHFFFAOYSA-N 2 0 341.846 3.764 50 0 EHAARP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370272 564130339 /nfs/dbraw/zinc/13/03/39/564130339.db2.gz OMRORPZRNPOTMS-MOPGFXCFSA-N 2 0 345.556 3.583 50 0 EHAARP CC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257187891 1038476092 /nfs/dbraw/zinc/47/60/92/1038476092.db2.gz CROKXPHEJOKCCE-HXUWFJFHSA-N 2 0 338.499 3.562 50 0 EHAARP Cc1cccc(N2CCC([NH2+]C3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC000952868066 1137483794 /nfs/dbraw/zinc/48/37/94/1137483794.db2.gz AYPLAZRFGKIKMX-UHFFFAOYSA-N 2 0 341.543 3.866 50 0 EHAARP c1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)sc1C[NH+]1CCCC1 ZINC000102536904 219208644 /nfs/dbraw/zinc/20/86/44/219208644.db2.gz PUYIZJXCRTZITQ-MRXNPFEDSA-N 2 0 342.512 3.514 50 0 EHAARP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000133159852 223392642 /nfs/dbraw/zinc/39/26/42/223392642.db2.gz BCNBZUKKZNZDKJ-RBUKOAKNSA-N 2 0 330.516 3.763 50 0 EHAARP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816817 211249327 /nfs/dbraw/zinc/24/93/27/211249327.db2.gz UEDIXSVRMVPHCD-JENJNIGESA-N 2 0 328.500 3.524 50 0 EHAARP c1ccc2c(c1)CC[N@@H+](Cc1ccc(OC[C@@H]3CCC[NH2+]C3)cc1)C2 ZINC000299787712 258094317 /nfs/dbraw/zinc/09/43/17/258094317.db2.gz ZWQZQEDNLUOBCG-LJQANCHMSA-N 2 0 336.479 3.623 50 0 EHAARP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C2 ZINC000192442657 1137455720 /nfs/dbraw/zinc/45/57/20/1137455720.db2.gz MYARRQSIXCAQCE-SFHVURJKSA-N 2 0 342.458 3.543 50 0 EHAARP CC(C)c1nccn1CCC[NH2+]Cc1cc(C[NH+]2CCCC2)cs1 ZINC000952978432 1137484832 /nfs/dbraw/zinc/48/48/32/1137484832.db2.gz CGVRGEXIVMYDHH-UHFFFAOYSA-N 2 0 346.544 3.844 50 0 EHAARP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151310 529682029 /nfs/dbraw/zinc/68/20/29/529682029.db2.gz IHLXVUHEUKUVGG-HNAYVOBHSA-N 2 0 336.907 3.882 50 0 EHAARP COCC[N@@H+]1CCC[C@]2(CC[NH+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816818 211250199 /nfs/dbraw/zinc/25/01/99/211250199.db2.gz UEDIXSVRMVPHCD-DQYQWZCESA-N 2 0 328.500 3.524 50 0 EHAARP C[NH+](C)Cc1csc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000215450138 536061153 /nfs/dbraw/zinc/06/11/53/536061153.db2.gz QEICIBBGRRIRDO-UHFFFAOYSA-N 2 0 348.487 3.992 50 0 EHAARP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000252510675 564120064 /nfs/dbraw/zinc/12/00/64/564120064.db2.gz ZOAJJSZDEJSXCZ-JRGCBEDISA-N 2 0 342.527 3.659 50 0 EHAARP CC(C)[N@H+](C)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012596517 1129440723 /nfs/dbraw/zinc/44/07/23/1129440723.db2.gz NLRXZMSCXFWLOU-FQEVSTJZSA-N 2 0 348.531 3.531 50 0 EHAARP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(C[NH+](C)C)cc1 ZINC000585086165 1136981755 /nfs/dbraw/zinc/98/17/55/1136981755.db2.gz SAUYFZSYRFMCIY-DYESRHJHSA-N 2 0 326.484 3.565 50 0 EHAARP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000585086159 1136981799 /nfs/dbraw/zinc/98/17/99/1136981799.db2.gz PWDRCDKYFBGIOW-UWJYYQICSA-N 2 0 326.484 3.565 50 0 EHAARP Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cccc(OCC[NH+](C)C)c1 ZINC000003738375 210073229 /nfs/dbraw/zinc/07/32/29/210073229.db2.gz UYYSCOZGLPIEKR-NRFANRHFSA-N 2 0 349.478 3.652 50 0 EHAARP COc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1C[NH+]1CCCC1 ZINC000215178502 241111860 /nfs/dbraw/zinc/11/18/60/241111860.db2.gz RAYXAAPSIYSZHC-QGZVFWFLSA-N 2 0 339.483 3.879 50 0 EHAARP Cc1cc(CN2CC[N@H+](C)[C@H](C)C2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000216140590 241167629 /nfs/dbraw/zinc/16/76/29/241167629.db2.gz ZMIRHZXAXZAZEX-LJQANCHMSA-N 2 0 343.559 3.671 50 0 EHAARP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000244719126 243070106 /nfs/dbraw/zinc/07/01/06/243070106.db2.gz LXLPRETVLCRJAS-QHCPKHFHSA-N 2 0 349.522 3.641 50 0 EHAARP C[N@@H+](Cc1ccncc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000011820456 211251871 /nfs/dbraw/zinc/25/18/71/211251871.db2.gz USMAPHIDLQNQEU-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP CC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011818324 211252809 /nfs/dbraw/zinc/25/28/09/211252809.db2.gz MHAHXVFDWNNWKZ-OAQYLSRUSA-N 2 0 330.516 3.708 50 0 EHAARP c1ccc2c(c1)cccc2C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344442 258062122 /nfs/dbraw/zinc/06/21/22/258062122.db2.gz MILDWBSOCUZUMT-UHFFFAOYSA-N 2 0 338.495 3.774 50 0 EHAARP C[C@@H](C[NH3+])Oc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000299760771 258078155 /nfs/dbraw/zinc/07/81/55/258078155.db2.gz XEBWPZVDNGXMAL-INIZCTEOSA-N 2 0 335.451 3.593 50 0 EHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccco3)CC2)cc1 ZINC000012583146 563663801 /nfs/dbraw/zinc/66/38/01/563663801.db2.gz PCPSYXWINBLCQY-UHFFFAOYSA-N 2 0 342.483 3.675 50 0 EHAARP CC(C)(C)n1cc[n+](CCCCCC[n+]2ccn(C(C)(C)C)c2)c1 ZINC000606422270 564043377 /nfs/dbraw/zinc/04/33/77/564043377.db2.gz AZDAGOWVMMUDKG-UHFFFAOYSA-N 2 0 332.536 3.635 50 0 EHAARP c1cn(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)cn1 ZINC000092659307 564089078 /nfs/dbraw/zinc/08/90/78/564089078.db2.gz LYMLJLNJRPEJII-UHFFFAOYSA-N 2 0 348.450 3.694 50 0 EHAARP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(C[NH+](C)C)cc1 ZINC000585086168 1136981687 /nfs/dbraw/zinc/98/16/87/1136981687.db2.gz SAUYFZSYRFMCIY-UWJYYQICSA-N 2 0 326.484 3.565 50 0 EHAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C1CCC1 ZINC000012468286 211389616 /nfs/dbraw/zinc/38/96/16/211389616.db2.gz UBCYDJKFSHREMT-UHFFFAOYSA-N 2 0 334.479 3.539 50 0 EHAARP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000225748369 564150452 /nfs/dbraw/zinc/15/04/52/564150452.db2.gz ANLICJWSDXUMQE-AOIWGVFYSA-N 2 0 343.515 3.587 50 0 EHAARP CC(C)c1nccn1CCC[NH2+]C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC000952978952 1137484774 /nfs/dbraw/zinc/48/47/74/1137484774.db2.gz CKZHQQSWCMBKSF-MRXNPFEDSA-N 2 0 343.471 3.594 50 0 EHAARP CCC[NH+](CCC)Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000055042021 214266657 /nfs/dbraw/zinc/26/66/57/214266657.db2.gz ZLTWIIRRZALINA-UHFFFAOYSA-N 2 0 345.531 3.524 50 0 EHAARP C[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000187774731 534053856 /nfs/dbraw/zinc/05/38/56/534053856.db2.gz JLFBFWVSSDOCKK-INIZCTEOSA-N 2 0 349.950 3.592 50 0 EHAARP c1cn(C2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)cn1 ZINC000092648837 564089027 /nfs/dbraw/zinc/08/90/27/564089027.db2.gz QFQBUWWKXIUDNN-UHFFFAOYSA-N 2 0 348.450 3.694 50 0 EHAARP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2SC)CC1 ZINC000069738775 564171824 /nfs/dbraw/zinc/17/18/24/564171824.db2.gz CYKJNKNLEYVEJW-UHFFFAOYSA-N 2 0 349.544 3.543 50 0 EHAARP C[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000194494788 1027574880 /nfs/dbraw/zinc/57/48/80/1027574880.db2.gz CMEOOCJJTQYPIS-GOSISDBHSA-N 2 0 338.495 3.537 50 0 EHAARP CCCn1c(C)c[nH+]c1C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581806729 1132369553 /nfs/dbraw/zinc/36/95/53/1132369553.db2.gz WJMOBBIDYILLPQ-OAHLLOKOSA-N 2 0 333.426 3.944 50 0 EHAARP Cc1nccn1Cc1ccccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000952982698 1137485281 /nfs/dbraw/zinc/48/52/81/1137485281.db2.gz QQHICNYPTZASRN-UHFFFAOYSA-N 2 0 348.450 3.554 50 0 EHAARP Cc1cc(N2CCC[N@H+](Cc3cc(-c4ccccc4)no3)CC2)cc[nH+]1 ZINC000072174622 216065203 /nfs/dbraw/zinc/06/52/03/216065203.db2.gz QYBONEAATTVXLQ-UHFFFAOYSA-N 2 0 348.450 3.757 50 0 EHAARP c1coc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386703 211365668 /nfs/dbraw/zinc/36/56/68/211365668.db2.gz BTXGYOZPEIYODY-NRFANRHFSA-N 2 0 346.515 3.915 50 0 EHAARP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1F ZINC000058425664 563946025 /nfs/dbraw/zinc/94/60/25/563946025.db2.gz RLLQGMIMKZNUOE-AWEZNQCLSA-N 2 0 346.450 3.519 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005350076 564003033 /nfs/dbraw/zinc/00/30/33/564003033.db2.gz NUXBPJRERSFVCH-SFTDATJTSA-N 2 0 346.559 3.982 50 0 EHAARP Cc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c(C[NH+](C)C)c1 ZINC000097084642 564149361 /nfs/dbraw/zinc/14/93/61/564149361.db2.gz POKGDVIKVDQYDR-UHFFFAOYSA-N 2 0 338.499 3.528 50 0 EHAARP CN1CC[C@@H](C[NH2+]Cc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289929 564168994 /nfs/dbraw/zinc/16/89/94/564168994.db2.gz GCNBJVGWDQVHRK-BLLLJJGKSA-N 2 0 339.867 3.718 50 0 EHAARP Cc1ccccc1-c1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000952974243 1137484555 /nfs/dbraw/zinc/48/45/55/1137484555.db2.gz VLYJNSQMBMTOLJ-OAQYLSRUSA-N 2 0 338.495 3.598 50 0 EHAARP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000095967184 218471667 /nfs/dbraw/zinc/47/16/67/218471667.db2.gz BOPKRDUOKCIJKP-JOCHJYFZSA-N 2 0 338.495 3.630 50 0 EHAARP Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)n1CC1CC1 ZINC000169787417 1032649475 /nfs/dbraw/zinc/64/94/75/1032649475.db2.gz QQYNOSOTYKFBFM-MRXNPFEDSA-N 2 0 345.437 3.944 50 0 EHAARP c1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)sc1C[NH+]1CCCC1 ZINC000102536899 219208755 /nfs/dbraw/zinc/20/87/55/219208755.db2.gz PUYIZJXCRTZITQ-INIZCTEOSA-N 2 0 342.512 3.514 50 0 EHAARP CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166422 216055972 /nfs/dbraw/zinc/05/59/72/216055972.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 2 0 349.588 3.896 50 0 EHAARP c1ccc(C[NH+]2CCC(N3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000019913690 212083344 /nfs/dbraw/zinc/08/33/44/212083344.db2.gz TXLWUQIGUVELGC-UHFFFAOYSA-N 2 0 341.543 3.601 50 0 EHAARP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnccn1 ZINC000095422118 218364108 /nfs/dbraw/zinc/36/41/08/218364108.db2.gz PEVJKPQACKNOBH-HNNXBMFYSA-N 2 0 344.890 3.693 50 0 EHAARP c1ccc(-c2cccc(N3CCC([NH2+][C@H]4CCCNC4)CC3)c2)cc1 ZINC000020168116 563858706 /nfs/dbraw/zinc/85/87/06/563858706.db2.gz YURITSCHFAZWOJ-NRFANRHFSA-N 2 0 335.495 3.664 50 0 EHAARP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000192444058 1137455813 /nfs/dbraw/zinc/45/58/13/1137455813.db2.gz ZPCUBEPXNRIJES-LJQANCHMSA-N 2 0 342.527 3.939 50 0 EHAARP CNc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cc(C)[nH+]1 ZINC000952868101 1137482993 /nfs/dbraw/zinc/48/29/93/1137482993.db2.gz BLGSRYALPUVLLH-SFHVURJKSA-N 2 0 339.487 3.856 50 0 EHAARP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000133159489 223392715 /nfs/dbraw/zinc/39/27/15/223392715.db2.gz BCNBZUKKZNZDKJ-OALUTQOASA-N 2 0 330.516 3.763 50 0 EHAARP c1coc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386704 211365174 /nfs/dbraw/zinc/36/51/74/211365174.db2.gz BTXGYOZPEIYODY-OAQYLSRUSA-N 2 0 346.515 3.915 50 0 EHAARP CC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011818323 211252655 /nfs/dbraw/zinc/25/26/55/211252655.db2.gz MHAHXVFDWNNWKZ-NRFANRHFSA-N 2 0 330.516 3.708 50 0 EHAARP C[N@@H+](Cc1ccncc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000015073771 563775962 /nfs/dbraw/zinc/77/59/62/563775962.db2.gz NNPFGBSBCSWLFW-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232113 563970763 /nfs/dbraw/zinc/97/07/63/563970763.db2.gz XGEQBBXZGMUVCP-RTBURBONSA-N 2 0 345.556 3.583 50 0 EHAARP c1ccc(NC[C@@H]2CC[N@@H+](CCCc3nc4ccccc4o3)C2)nc1 ZINC000065466342 563998203 /nfs/dbraw/zinc/99/82/03/563998203.db2.gz ZUSWUSLUCODNNH-INIZCTEOSA-N 2 0 336.439 3.589 50 0 EHAARP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000012530427 564058227 /nfs/dbraw/zinc/05/82/27/564058227.db2.gz LTZMNEAMXIVCKZ-UHFFFAOYSA-N 2 0 334.467 3.737 50 0 EHAARP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000007736218 564122462 /nfs/dbraw/zinc/12/24/62/564122462.db2.gz JYHLODMQZBJNPT-UHFFFAOYSA-N 2 0 348.494 3.841 50 0 EHAARP COc1ccc(CC[N@H+](CC2CC[NH+](C)CC2)CC(C)(C)C)cc1 ZINC000011769892 1128972046 /nfs/dbraw/zinc/97/20/46/1128972046.db2.gz JVAWBOSFRVDWIB-UHFFFAOYSA-N 2 0 332.532 3.928 50 0 EHAARP C[NH+](C)CCC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175117850 1123598690 /nfs/dbraw/zinc/59/86/90/1123598690.db2.gz POWOKBQLDQFXAW-UHFFFAOYSA-N 2 0 331.435 3.644 50 0 EHAARP c1cnn(C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccccc2)c1 ZINC000952973210 1137484573 /nfs/dbraw/zinc/48/45/73/1137484573.db2.gz MWAYQTQZRYCZEP-HXUWFJFHSA-N 2 0 338.499 3.526 50 0 EHAARP C[C@H](c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1)[NH+](C)C ZINC000952968655 1137485044 /nfs/dbraw/zinc/48/50/44/1137485044.db2.gz FRMYJMSMPZNSMJ-GOSISDBHSA-N 2 0 329.532 3.760 50 0 EHAARP Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc(CC[NH3+])c4)C3)nc21 ZINC000072158194 216048362 /nfs/dbraw/zinc/04/83/62/216048362.db2.gz HJTXRWGGEBCJQE-LJQANCHMSA-N 2 0 348.494 3.752 50 0 EHAARP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000133159682 223392700 /nfs/dbraw/zinc/39/27/00/223392700.db2.gz BCNBZUKKZNZDKJ-RTBURBONSA-N 2 0 330.516 3.763 50 0 EHAARP CC[N@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000032523796 563913887 /nfs/dbraw/zinc/91/38/87/563913887.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 2 0 343.559 3.705 50 0 EHAARP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370852 564130365 /nfs/dbraw/zinc/13/03/65/564130365.db2.gz XGEQBBXZGMUVCP-MOPGFXCFSA-N 2 0 345.556 3.583 50 0 EHAARP Cc1ccc(-c2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2)o1 ZINC000670446575 564158837 /nfs/dbraw/zinc/15/88/37/564158837.db2.gz UJRVIHCQWDQPAF-UHFFFAOYSA-N 2 0 333.435 3.972 50 0 EHAARP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 ZINC000020538052 1018179765 /nfs/dbraw/zinc/17/97/65/1018179765.db2.gz JCLBMAXCKBKDPA-APWZRJJASA-N 2 0 344.528 3.634 50 0 EHAARP CCc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000367682206 1127067609 /nfs/dbraw/zinc/06/76/09/1127067609.db2.gz AKPMFOYIWLHRKF-NRFANRHFSA-N 2 0 330.516 3.669 50 0 EHAARP CC(C)[N@H+](C)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012596521 1129441062 /nfs/dbraw/zinc/44/10/62/1129441062.db2.gz NLRXZMSCXFWLOU-HXUWFJFHSA-N 2 0 348.531 3.531 50 0 EHAARP Cc1cc(C[NH+]2CCCC2)cc(Oc2ccc3c(c2)C[C@@H](C[NH3+])O3)c1 ZINC000067843112 215228755 /nfs/dbraw/zinc/22/87/55/215228755.db2.gz VITANHJBKHSGRH-FQEVSTJZSA-N 2 0 338.451 3.645 50 0 EHAARP [NH3+]Cc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000035287353 213018683 /nfs/dbraw/zinc/01/86/83/213018683.db2.gz VHKZBAJAJASIBP-UHFFFAOYSA-N 2 0 330.859 3.842 50 0 EHAARP CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000013511248 563926612 /nfs/dbraw/zinc/92/66/12/563926612.db2.gz TWTOFPRZEXCURK-LZLYRXPVSA-N 2 0 334.504 3.645 50 0 EHAARP Fc1ccc(N2CC[C@@H]([NH2+]CC3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000826588671 1131327857 /nfs/dbraw/zinc/32/78/57/1131327857.db2.gz OOCZOCYGRKCBCV-LJQANCHMSA-N 2 0 345.506 3.649 50 0 EHAARP COc1ccc2[nH]c(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)cc2c1 ZINC000067650471 215173870 /nfs/dbraw/zinc/17/38/70/215173870.db2.gz RJTGOIFJIICLTM-UHFFFAOYSA-N 2 0 327.472 3.579 50 0 EHAARP C[C@H](c1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1)[NH+](C)C ZINC000072156851 216046996 /nfs/dbraw/zinc/04/69/96/216046996.db2.gz PWVABRFMFBGZEA-GOSISDBHSA-N 3 0 343.559 3.863 50 0 EHAARP Cc1ccc([C@H](C)CC[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000215041166 241102472 /nfs/dbraw/zinc/10/24/72/241102472.db2.gz MDTLHDMDMZIYFT-MRXNPFEDSA-N 2 0 327.472 3.997 50 0 EHAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccoc2)CC1 ZINC000012589834 563664190 /nfs/dbraw/zinc/66/41/90/563664190.db2.gz WURQFBDLWPWUHR-UHFFFAOYSA-N 2 0 342.483 3.675 50 0 EHAARP c1ccc(-c2cccc(N3CCC([NH2+][C@@H]4CCCNC4)CC3)c2)cc1 ZINC000020168117 563858677 /nfs/dbraw/zinc/85/86/77/563858677.db2.gz YURITSCHFAZWOJ-OAQYLSRUSA-N 2 0 335.495 3.664 50 0 EHAARP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000012926464 564078531 /nfs/dbraw/zinc/07/85/31/564078531.db2.gz CXMDGCOUDOWOTN-UHFFFAOYSA-N 2 0 337.467 3.531 50 0 EHAARP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252486166 564119300 /nfs/dbraw/zinc/11/93/00/564119300.db2.gz GFDXIFPRYFCMGT-FXAWDEMLSA-N 2 0 341.524 3.674 50 0 EHAARP O=P(CC[NH+]1CCCCC1)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000003145262 564155480 /nfs/dbraw/zinc/15/54/80/564155480.db2.gz JIVQRZGBIMXTRV-UHFFFAOYSA-N 2 0 348.471 3.647 50 0 EHAARP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000245316714 564169035 /nfs/dbraw/zinc/16/90/35/564169035.db2.gz KGEIHHUWMJPNNI-WBAXXEDZSA-N 2 0 342.462 3.597 50 0 EHAARP C[C@@H](c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1)[NH+](C)C ZINC000952968660 1137485020 /nfs/dbraw/zinc/48/50/20/1137485020.db2.gz FRMYJMSMPZNSMJ-SFHVURJKSA-N 2 0 329.532 3.760 50 0 EHAARP Cc1cc(C[NH+]2CCCC2)cc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)c1 ZINC000067843594 215229172 /nfs/dbraw/zinc/22/91/72/215229172.db2.gz BSNYLJFLZBIRKK-IBGZPJMESA-N 2 0 340.442 3.659 50 0 EHAARP COc1ccc(C[N@H+](C)C2CCSCC2)cc1C[NH+]1CCCC1 ZINC000097413268 219022816 /nfs/dbraw/zinc/02/28/16/219022816.db2.gz XGEIKAMJIFHZOF-UHFFFAOYSA-N 2 0 334.529 3.618 50 0 EHAARP C[C@@H](c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1)[NH+]1CCOCC1 ZINC000065409104 563960345 /nfs/dbraw/zinc/96/03/45/563960345.db2.gz ZLKVCCRLSWGYKF-HNNXBMFYSA-N 2 0 333.435 3.877 50 0 EHAARP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000284139438 563963212 /nfs/dbraw/zinc/96/32/12/563963212.db2.gz UYFMLQJYWNRDFK-UHFFFAOYSA-N 2 0 349.478 3.931 50 0 EHAARP C[C@@H](C1CC[NH+](Cc2cc(C[NH+]3CCCCC3)cs2)CC1)[NH+](C)C ZINC000077300525 563968853 /nfs/dbraw/zinc/96/88/53/563968853.db2.gz UVDHMQSCSUGYKM-KRWDZBQOSA-N 3 0 349.588 3.896 50 0 EHAARP C[C@@H](C1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1)[NH+](C)C ZINC000077437127 563969640 /nfs/dbraw/zinc/96/96/40/563969640.db2.gz KAXOTIWINUVFIC-INIZCTEOSA-N 3 0 335.561 3.506 50 0 EHAARP COc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1F ZINC000095422493 564140116 /nfs/dbraw/zinc/14/01/16/564140116.db2.gz WZVMTGTVYAYSBH-ZDUSSCGKSA-N 2 0 334.410 3.886 50 0 EHAARP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000245316713 564169047 /nfs/dbraw/zinc/16/90/47/564169047.db2.gz KGEIHHUWMJPNNI-QGTPRVQTSA-N 2 0 342.462 3.597 50 0 EHAARP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000342689101 1031280993 /nfs/dbraw/zinc/28/09/93/1031280993.db2.gz MLJPPWQBWMEUES-QGZVFWFLSA-N 2 0 332.532 3.948 50 0 EHAARP c1cc(C2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)n[nH]1 ZINC000820414118 1130869828 /nfs/dbraw/zinc/86/98/28/1130869828.db2.gz BWBRBWWBMQRVSH-UHFFFAOYSA-N 2 0 344.528 3.837 50 0 EHAARP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(C[NH+](C)C)cc1 ZINC000585086166 1136981711 /nfs/dbraw/zinc/98/17/11/1136981711.db2.gz SAUYFZSYRFMCIY-LAUBAEHRSA-N 2 0 326.484 3.565 50 0 EHAARP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000133159285 223392596 /nfs/dbraw/zinc/39/25/96/223392596.db2.gz BCNBZUKKZNZDKJ-MOPGFXCFSA-N 2 0 330.516 3.763 50 0 EHAARP C[C@@H](C[N@H+](C)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000093089262 218193064 /nfs/dbraw/zinc/19/30/64/218193064.db2.gz JPPJKJAFPAYELT-AWEZNQCLSA-N 2 0 339.321 3.826 50 0 EHAARP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000032558385 563913919 /nfs/dbraw/zinc/91/39/19/563913919.db2.gz KPKMNZWSGBRCQZ-GOSISDBHSA-N 2 0 326.484 3.922 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005348804 564002969 /nfs/dbraw/zinc/00/29/69/564002969.db2.gz GRUUTXSLUORAFV-WOJBJXKFSA-N 2 0 332.532 3.907 50 0 EHAARP C[N@H+](CCCOc1ccccc1Cl)Cc1ccc(CC[NH3+])cc1 ZINC000952962633 1137483785 /nfs/dbraw/zinc/48/37/85/1137483785.db2.gz HICUHKIVGMNLPT-UHFFFAOYSA-N 2 0 332.875 3.742 50 0 EHAARP c1cnn(C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccccc2)c1 ZINC000952973208 1137484551 /nfs/dbraw/zinc/48/45/51/1137484551.db2.gz MWAYQTQZRYCZEP-FQEVSTJZSA-N 2 0 338.499 3.526 50 0 EHAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc2ccccc21 ZINC000002498288 209857727 /nfs/dbraw/zinc/85/77/27/209857727.db2.gz BOBWYSLBDFVSAQ-UHFFFAOYSA-N 2 0 327.516 3.545 50 0 EHAARP C[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000187774750 236296971 /nfs/dbraw/zinc/29/69/71/236296971.db2.gz JLFBFWVSSDOCKK-MRXNPFEDSA-N 2 0 349.950 3.592 50 0 EHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cccc(O)c3)CC2)o1 ZINC000012076405 211287052 /nfs/dbraw/zinc/28/70/52/211287052.db2.gz PWBAJAGIRSBSJO-UHFFFAOYSA-N 2 0 328.456 3.638 50 0 EHAARP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000097013894 564149106 /nfs/dbraw/zinc/14/91/06/564149106.db2.gz GQEVWHPZQRHIRL-NEWSRXKRSA-N 2 0 349.478 3.538 50 0 EHAARP c1cnc2c(c1)cccc2C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000055107548 214273986 /nfs/dbraw/zinc/27/39/86/214273986.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 2 0 335.495 3.933 50 0 EHAARP COC(C)(C)CCC[C@@H](C)CC[NH2+]CCCCC[NH+]1CCOCC1 ZINC000032513711 212806969 /nfs/dbraw/zinc/80/69/69/212806969.db2.gz MOYVRQRQBIRQGU-LJQANCHMSA-N 2 0 342.568 3.700 50 0 EHAARP Cc1cc(N2CCC[N@H+](Cc3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000072131910 216021084 /nfs/dbraw/zinc/02/10/84/216021084.db2.gz ZBTVSFFHOYFIJK-UHFFFAOYSA-N 2 0 347.409 3.704 50 0 EHAARP c1sc(C[NH+]2CCC3(CCOCC3)CC2)cc1C[NH+]1CCCC1 ZINC000072150159 216038153 /nfs/dbraw/zinc/03/81/53/216038153.db2.gz ANCURUXORORQPU-UHFFFAOYSA-N 2 0 334.529 3.737 50 0 EHAARP C[C@@H](C1CC[NH+](Cc2cc(C[NH+](C)C)cs2)CC1)[NH+]1CCCC1 ZINC000072436388 216230989 /nfs/dbraw/zinc/23/09/89/216230989.db2.gz FMJGRDQUEISZDC-INIZCTEOSA-N 3 0 335.561 3.506 50 0 EHAARP c1cc(C[NH+]2CCCC2)sc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000215778780 241146037 /nfs/dbraw/zinc/14/60/37/241146037.db2.gz FDPQLIZBNXCXDK-GOSISDBHSA-N 2 0 347.572 3.794 50 0 EHAARP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000706 534055516 /nfs/dbraw/zinc/05/55/16/534055516.db2.gz DURYVBLVAXQESN-HOTGVXAUSA-N 2 0 336.907 3.534 50 0 EHAARP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000097159200 563968313 /nfs/dbraw/zinc/96/83/13/563968313.db2.gz NBFKUXDIWXHNID-UHFFFAOYSA-N 2 0 326.488 3.593 50 0 EHAARP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2OCc2c(F)cccc2Cl)C1 ZINC000097815033 563981993 /nfs/dbraw/zinc/98/19/93/563981993.db2.gz WPPZWTXUEIRTSE-CQSZACIVSA-N 2 0 348.849 3.839 50 0 EHAARP C[NH+](C)CCCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc21 ZINC000253470589 563999265 /nfs/dbraw/zinc/99/92/65/563999265.db2.gz LXDKQVFZUNOVSV-UHFFFAOYSA-N 2 0 334.423 3.613 50 0 EHAARP CN1CC[C@H](C[NH2+]Cc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289930 564169010 /nfs/dbraw/zinc/16/90/10/564169010.db2.gz GCNBJVGWDQVHRK-MLGOLLRUSA-N 2 0 339.867 3.718 50 0 EHAARP CC(C)[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012443777 211384163 /nfs/dbraw/zinc/38/41/63/211384163.db2.gz VCTVGINVQRVCKM-HXUWFJFHSA-N 2 0 348.506 3.927 50 0 EHAARP Cc1cccc(Cl)c1OCC[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000032500669 563913814 /nfs/dbraw/zinc/91/38/14/563913814.db2.gz WSRQICXKYNYYJS-UHFFFAOYSA-N 2 0 332.875 3.879 50 0 EHAARP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)COC(C)(C)O2 ZINC000225408019 564046486 /nfs/dbraw/zinc/04/64/86/564046486.db2.gz PDWWYRSJTSHLNJ-HNNXBMFYSA-N 2 0 332.488 3.714 50 0 EHAARP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000338779778 1128975487 /nfs/dbraw/zinc/97/54/87/1128975487.db2.gz LKOXCHHRUNBGLM-QFIPXVFZSA-N 2 0 344.543 3.948 50 0 EHAARP c1csc(-c2n[nH]cc2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000067820349 215221757 /nfs/dbraw/zinc/22/17/57/215221757.db2.gz SSHDREVZJJPQGT-UHFFFAOYSA-N 2 0 330.501 3.540 50 0 EHAARP C[NH+](C)Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 ZINC000095385994 218317713 /nfs/dbraw/zinc/31/77/13/218317713.db2.gz GDAHNOZPUYEENF-PKOBYXMFSA-N 2 0 347.572 3.506 50 0 EHAARP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000095423608 218366003 /nfs/dbraw/zinc/36/60/03/218366003.db2.gz VVKDJDYKNINAND-QFIPXVFZSA-N 2 0 338.495 3.884 50 0 EHAARP CCc1ccc(N2CCC([NH2+][C@H](C)C(C)(C)C[NH+](C)C)CC2)cc1 ZINC000097377119 219019405 /nfs/dbraw/zinc/01/94/05/219019405.db2.gz BDCSCFYHMPGJNK-QGZVFWFLSA-N 2 0 331.548 3.784 50 0 EHAARP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484367 563955331 /nfs/dbraw/zinc/95/53/31/563955331.db2.gz KGEIHHUWMJPNNI-BMGDILEWSA-N 2 0 342.462 3.597 50 0 EHAARP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232082 563970725 /nfs/dbraw/zinc/97/07/25/563970725.db2.gz OMRORPZRNPOTMS-RTBURBONSA-N 2 0 345.556 3.583 50 0 EHAARP COc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1C[NH+]1CCCC1 ZINC000089904656 564114954 /nfs/dbraw/zinc/11/49/54/564114954.db2.gz RHUBIRULNOXFEZ-INIZCTEOSA-N 2 0 325.456 3.537 50 0 EHAARP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000095967185 564143039 /nfs/dbraw/zinc/14/30/39/564143039.db2.gz BOPKRDUOKCIJKP-QFIPXVFZSA-N 2 0 338.495 3.630 50 0 EHAARP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000342689100 1031281822 /nfs/dbraw/zinc/28/18/22/1031281822.db2.gz MLJPPWQBWMEUES-KRWDZBQOSA-N 2 0 332.532 3.948 50 0 EHAARP C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000952987450 1137485506 /nfs/dbraw/zinc/48/55/06/1137485506.db2.gz LCBSJCAJPDPIOZ-UHFFFAOYSA-N 2 0 337.467 3.596 50 0 EHAARP CC[N@H+](Cc1ccccc1)C1CCN(C[C@H]2CCC[NH+](CC)C2)CC1 ZINC000032523797 563913866 /nfs/dbraw/zinc/91/38/66/563913866.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 2 0 343.559 3.705 50 0 EHAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000096162551 563979878 /nfs/dbraw/zinc/97/98/78/563979878.db2.gz QDFZILIUTXFHMB-NRFANRHFSA-N 2 0 335.495 3.783 50 0 EHAARP CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000248150555 563995341 /nfs/dbraw/zinc/99/53/41/563995341.db2.gz TWTOFPRZEXCURK-JFIYKMOQSA-N 2 0 334.504 3.645 50 0 EHAARP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnn(C)c1 ZINC000089913542 564115179 /nfs/dbraw/zinc/11/51/79/564115179.db2.gz MCVGKBIEQZFCLB-KRWDZBQOSA-N 2 0 348.494 4.000 50 0 EHAARP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)[N@H+](C)C1CCCCC1 ZINC000952974622 1137484580 /nfs/dbraw/zinc/48/45/80/1137484580.db2.gz QGFPRXLJGGVMHZ-QGZVFWFLSA-N 2 0 343.515 3.874 50 0 EHAARP COc1ccc(-c2cc(N(C)CC[NH+](C)C)c3ccccc3[nH+]2)cc1 ZINC000004542898 210217409 /nfs/dbraw/zinc/21/74/09/210217409.db2.gz OABSDVIRNQZDHV-UHFFFAOYSA-N 2 0 335.451 3.908 50 0 EHAARP Cc1cc(C)n(CCC[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)n1 ZINC000216353106 241186818 /nfs/dbraw/zinc/18/68/18/241186818.db2.gz MYKSFQQTPXLLPH-UHFFFAOYSA-N 2 0 346.544 3.679 50 0 EHAARP C[N@H+](CCc1ccccn1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216359831 241186945 /nfs/dbraw/zinc/18/69/45/241186945.db2.gz URDUUVBWLPORNU-UHFFFAOYSA-N 2 0 329.513 3.804 50 0 EHAARP C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299786088 258093174 /nfs/dbraw/zinc/09/31/74/258093174.db2.gz MTAPRRBTCXIYLO-NRFANRHFSA-N 2 0 338.495 3.740 50 0 EHAARP CCC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095525533 563977446 /nfs/dbraw/zinc/97/74/46/563977446.db2.gz YFALZZNRTWPIDR-FQEVSTJZSA-N 2 0 348.531 3.533 50 0 EHAARP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)s1)CC1(CO)CCCC1 ZINC000214951896 564033476 /nfs/dbraw/zinc/03/34/76/564033476.db2.gz UGJQBQTWFWVGQR-UHFFFAOYSA-N 2 0 336.545 3.719 50 0 EHAARP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000195541186 564123628 /nfs/dbraw/zinc/12/36/28/564123628.db2.gz BSDGIYBDHXKABB-QXAKKESOSA-N 2 0 346.515 3.768 50 0 EHAARP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(C[NH+](C)C)cc1 ZINC000585086167 1136981748 /nfs/dbraw/zinc/98/17/48/1136981748.db2.gz SAUYFZSYRFMCIY-UTKZUKDTSA-N 2 0 326.484 3.565 50 0 EHAARP C[C@H](Cc1cnccn1)[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000097638001 219043711 /nfs/dbraw/zinc/04/37/11/219043711.db2.gz XMOBPLJGQQVCJQ-MRXNPFEDSA-N 2 0 344.528 3.587 50 0 EHAARP C[N@@H+](Cc1cccnc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012434564 211380049 /nfs/dbraw/zinc/38/00/49/211380049.db2.gz JKJCZSNGQNKYLG-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP CCCCC[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163989 563996535 /nfs/dbraw/zinc/99/65/35/563996535.db2.gz JRFXBJKUUCWENF-QRVBRYPASA-N 2 0 338.536 3.622 50 0 EHAARP Cc1nnc([C@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000246500563 564089229 /nfs/dbraw/zinc/08/92/29/564089229.db2.gz BEPPSISHVIQAJU-CABCVRRESA-N 2 0 328.460 3.603 50 0 EHAARP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)[N@H+](C)C1CCCCC1 ZINC000952974618 1137484590 /nfs/dbraw/zinc/48/45/90/1137484590.db2.gz QGFPRXLJGGVMHZ-KRWDZBQOSA-N 2 0 343.515 3.874 50 0 EHAARP C[C@H](C1CC[NH+](Cc2cc(C[NH+](C)C)cs2)CC1)[NH+]1CCCC1 ZINC000072436390 216230684 /nfs/dbraw/zinc/23/06/84/216230684.db2.gz FMJGRDQUEISZDC-MRXNPFEDSA-N 3 0 335.561 3.506 50 0 EHAARP O[C@H]1C[C@@H]([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2cccs2)C1 ZINC000244641288 243049192 /nfs/dbraw/zinc/04/91/92/243049192.db2.gz GMVZTGQPBDGPHH-DKSSEZFCSA-N 2 0 334.529 3.557 50 0 EHAARP CSCC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000299778542 258088572 /nfs/dbraw/zinc/08/85/72/258088572.db2.gz GXATXNDIDYKHAX-FQEVSTJZSA-N 2 0 332.557 3.974 50 0 EHAARP CCC(CC)(CNC(=O)Nc1cccc(C[NH+]2CCCC2)c1)[NH+](C)C ZINC000058305297 563942070 /nfs/dbraw/zinc/94/20/70/563942070.db2.gz MQLCNSILWHXDLJ-UHFFFAOYSA-N 2 0 346.519 3.524 50 0 EHAARP CC[N@@H+]1CCC[C@H](CNCc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000063917427 564083131 /nfs/dbraw/zinc/08/31/31/564083131.db2.gz GXIGTLQIEYBOEK-GOSISDBHSA-N 2 0 340.515 3.817 50 0 EHAARP OCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCCC3)cc2)o1 ZINC000089787905 564113772 /nfs/dbraw/zinc/11/37/72/564113772.db2.gz STDOIVMPGXNHFD-UHFFFAOYSA-N 2 0 342.483 3.828 50 0 EHAARP C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000013119901 564136050 /nfs/dbraw/zinc/13/60/50/564136050.db2.gz LNUAAHAFERZTED-POGPBNCUSA-N 2 0 344.543 3.830 50 0 EHAARP Fc1ccc(N2CC[C@H]([NH2+]CC3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000826588670 1131327530 /nfs/dbraw/zinc/32/75/30/1131327530.db2.gz OOCZOCYGRKCBCV-IBGZPJMESA-N 2 0 345.506 3.649 50 0 EHAARP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)CC=C(C)C)C1 ZINC000012467881 211390894 /nfs/dbraw/zinc/39/08/94/211390894.db2.gz JZJTXJIGQBEGOY-IBGZPJMESA-N 2 0 330.516 3.848 50 0 EHAARP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnccn1 ZINC000095422119 218364516 /nfs/dbraw/zinc/36/45/16/218364516.db2.gz PEVJKPQACKNOBH-OAHLLOKOSA-N 2 0 344.890 3.693 50 0 EHAARP CCCCC[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C=C(C)[C@H]1C(=O)OCC ZINC000245310677 258000368 /nfs/dbraw/zinc/00/03/68/258000368.db2.gz JRFXBJKUUCWENF-CEXWTWQISA-N 2 0 338.536 3.622 50 0 EHAARP CCn1cncc1-c1c(-c2ccccc2)ncn1C[C@]1(C)CC[N@H+](C)C1 ZINC000065488201 563961369 /nfs/dbraw/zinc/96/13/69/563961369.db2.gz HQDYDXGTFBRHRE-OAQYLSRUSA-N 2 0 349.482 3.775 50 0 EHAARP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000338779777 1128975734 /nfs/dbraw/zinc/97/57/34/1128975734.db2.gz LKOXCHHRUNBGLM-JOCHJYFZSA-N 2 0 344.543 3.948 50 0 EHAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)CC=C(C)C)C2)cc1 ZINC000011842066 211256313 /nfs/dbraw/zinc/25/63/13/211256313.db2.gz TYMXQFRNZYRIFK-HXUWFJFHSA-N 2 0 330.516 3.848 50 0 EHAARP C[C@H](C[NH3+])Oc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000299760775 258077900 /nfs/dbraw/zinc/07/79/00/258077900.db2.gz XEBWPZVDNGXMAL-MRXNPFEDSA-N 2 0 335.451 3.593 50 0 EHAARP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000225748395 564150433 /nfs/dbraw/zinc/15/04/33/564150433.db2.gz ANLICJWSDXUMQE-LNLFQRSKSA-N 2 0 343.515 3.587 50 0 EHAARP C[NH+](C)CC1CCC([NH2+]CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000119931682 1020079048 /nfs/dbraw/zinc/07/90/48/1020079048.db2.gz QAJFRBOPDAEUDD-UHFFFAOYSA-N 2 0 334.891 3.826 50 0 EHAARP CC[N@@H+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CC[NH+](CC)C1 ZINC000952973362 1137484383 /nfs/dbraw/zinc/48/43/83/1137484383.db2.gz IQMPUASEQPOUKJ-AWEZNQCLSA-N 2 0 347.890 3.758 50 0 EHAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)cc1Cl ZINC000002489847 209856821 /nfs/dbraw/zinc/85/68/21/209856821.db2.gz NLNAEKPQMFSZTH-UHFFFAOYSA-N 2 0 346.346 3.699 50 0 EHAARP Cc1cccc2[nH]c(C3CC[NH+](Cc4ccc(CC[NH3+])cc4)CC3)nc21 ZINC000072119513 216013795 /nfs/dbraw/zinc/01/37/95/216013795.db2.gz XPGAVAZJLWCCPL-UHFFFAOYSA-N 2 0 348.494 3.752 50 0 EHAARP COc1ccc2c(c1)CCc1c(NCC[NH+](C)C)c3ccccc3[nH+]c1-2 ZINC000000407436 563307003 /nfs/dbraw/zinc/30/70/03/563307003.db2.gz NCTOJOIQCBABRY-UHFFFAOYSA-N 2 0 347.462 3.983 50 0 EHAARP Brc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC000008723278 563637683 /nfs/dbraw/zinc/63/76/83/563637683.db2.gz DBIHAPDVDDYEGW-UHFFFAOYSA-N 2 0 349.272 3.798 50 0 EHAARP C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@H](C)[C@H]1C[NH2+]CCC[NH+](C)C ZINC000245267403 564168909 /nfs/dbraw/zinc/16/89/09/564168909.db2.gz LNUAAHAFERZTED-DSMCQNTQSA-N 2 0 344.543 3.830 50 0 EHAARP CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000106216951 1044352136 /nfs/dbraw/zinc/35/21/36/1044352136.db2.gz RUGKVPGHVSQADZ-OAHLLOKOSA-N 2 0 333.863 3.815 50 0 EHAARP COc1ccc(-c2cc(N3CC[NH2+]C[C@H]3C)c3ccccc3[nH+]2)cc1 ZINC000004542894 210218482 /nfs/dbraw/zinc/21/84/82/210218482.db2.gz OOBNRRMBCKHQPS-OAHLLOKOSA-N 2 0 333.435 3.709 50 0 EHAARP Cc1nc2ccccc2nc1C[NH+]1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072454105 216241016 /nfs/dbraw/zinc/24/10/16/216241016.db2.gz MEVDMBXCXRFPGS-QGZVFWFLSA-N 2 0 338.499 3.635 50 0 EHAARP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000756 534054918 /nfs/dbraw/zinc/05/49/18/534054918.db2.gz DURYVBLVAXQESN-JKSUJKDBSA-N 2 0 336.907 3.534 50 0 EHAARP c1ccc2c(c1)[NH+]=C(NNC1=[NH+]c3ccccc3SC1)CS2 ZINC000000160539 563248879 /nfs/dbraw/zinc/24/88/79/563248879.db2.gz WDMVJUXZJKURTJ-UHFFFAOYSA-N 2 0 326.450 3.752 50 0 EHAARP CCc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000367682207 1127067552 /nfs/dbraw/zinc/06/75/52/1127067552.db2.gz AKPMFOYIWLHRKF-OAQYLSRUSA-N 2 0 330.516 3.669 50 0 EHAARP COc1ccc(CC[N@@H+](Cc2ccoc2)CC2CC[NH+](C)CC2)cc1 ZINC000011818477 1129001211 /nfs/dbraw/zinc/00/12/11/1129001211.db2.gz NWIJLBJNENJCMX-UHFFFAOYSA-N 2 0 342.483 3.675 50 0 EHAARP c1cnc2c(c1)cccc2C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000055107546 214273677 /nfs/dbraw/zinc/27/36/77/214273677.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 2 0 335.495 3.933 50 0 EHAARP C[C@H](C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1)[NH+]1CCCC1 ZINC000072480587 216259971 /nfs/dbraw/zinc/25/99/71/216259971.db2.gz RQRYBVCNPKFVHW-OAHLLOKOSA-N 2 0 338.442 3.984 50 0 EHAARP C[n+]1c2ccccc2sc1CCc1sc2ccccc2[n+]1C ZINC000000272646 563270056 /nfs/dbraw/zinc/27/00/56/563270056.db2.gz KUPPPQKHDYZABS-UHFFFAOYSA-N 2 0 326.490 3.550 50 0 EHAARP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cc5ccccc5o4)[C@@H]3C2)cc[nH+]1 ZINC000082155924 563972743 /nfs/dbraw/zinc/97/27/43/563972743.db2.gz CDMGTVVLKUAQHJ-FXAWDEMLSA-N 2 0 333.435 3.847 50 0 EHAARP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000012533192 564058353 /nfs/dbraw/zinc/05/83/53/564058353.db2.gz XJFCNMZVHKKZRL-UHFFFAOYSA-N 2 0 348.494 3.988 50 0 EHAARP COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1F ZINC000095422494 564140107 /nfs/dbraw/zinc/14/01/07/564140107.db2.gz WZVMTGTVYAYSBH-CYBMUJFWSA-N 2 0 334.410 3.886 50 0 EHAARP C[NH+](C)CCOc1cccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC000585084625 1136977496 /nfs/dbraw/zinc/97/74/96/1136977496.db2.gz RWKFWFKDZWWOJG-UHFFFAOYSA-N 2 0 337.467 3.740 50 0 EHAARP C(=C\C[N@@H+]1CCc2sccc2C1)\CN1CCc2sccc2C1 ZINC000222110250 1137180892 /nfs/dbraw/zinc/18/08/92/1137180892.db2.gz XYLADRIERMMLMQ-UPHRSURJSA-N 2 0 330.522 3.782 50 0 EHAARP Cc1ccccc1-c1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000952973768 1137484473 /nfs/dbraw/zinc/48/44/73/1137484473.db2.gz VLYJNSQMBMTOLJ-NRFANRHFSA-N 2 0 338.495 3.598 50 0 EHAARP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000733 236379426 /nfs/dbraw/zinc/37/94/26/236379426.db2.gz DURYVBLVAXQESN-CVEARBPZSA-N 2 0 336.907 3.534 50 0 EHAARP Cc1cc(N2CCC[N@H+](C/C=C/c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000216113819 241167766 /nfs/dbraw/zinc/16/77/66/241167766.db2.gz PQBAECMYOVQJMC-DUXPYHPUSA-N 2 0 325.431 3.755 50 0 EHAARP Cc1ccc(-c2ccc(N3CCC([N@@H+]4CC[C@@H](C[NH3+])C4)CC3)cc2)cc1 ZINC000020207545 563858775 /nfs/dbraw/zinc/85/87/75/563858775.db2.gz JHFHGTCVKBWSEH-IBGZPJMESA-N 2 0 349.522 3.911 50 0 EHAARP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000015069242 564053221 /nfs/dbraw/zinc/05/32/21/564053221.db2.gz KPHAEXZKMMCYLT-HXUWFJFHSA-N 2 0 346.563 3.710 50 0 EHAARP Clc1ccc2c(c1)C=C(C[NH+]1CCC(n3ccnc3)CC1)CO2 ZINC000092648430 564089060 /nfs/dbraw/zinc/08/90/60/564089060.db2.gz QWMRTFXLOMVEQJ-UHFFFAOYSA-N 2 0 329.831 3.649 50 0 EHAARP Cc1ccc(C[NH+]2CCC3(CC2)CCC(O)(C[NH+](C)C)CC3)cc1C ZINC000257192654 1033078590 /nfs/dbraw/zinc/07/85/90/1033078590.db2.gz QVQMYEQMFHUHMP-UHFFFAOYSA-N 2 0 344.543 3.752 50 0 EHAARP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000078553948 217074783 /nfs/dbraw/zinc/07/47/83/217074783.db2.gz JDZFNKKZEPAQFU-UHFFFAOYSA-N 2 0 344.886 3.587 50 0 EHAARP CC(C)[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012443775 211384759 /nfs/dbraw/zinc/38/47/59/211384759.db2.gz VCTVGINVQRVCKM-FQEVSTJZSA-N 2 0 348.506 3.927 50 0 EHAARP c1ccc(-c2ccc(N3CCC([NH2+]C4CC[NH2+]CC4)CC3)cc2)cc1 ZINC000063845024 563956133 /nfs/dbraw/zinc/95/61/33/563956133.db2.gz ZYSRKLFDDHBPLW-UHFFFAOYSA-N 2 0 335.495 3.664 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005350074 564003003 /nfs/dbraw/zinc/00/30/03/564003003.db2.gz NUXBPJRERSFVCH-LEWJYISDSA-N 2 0 346.559 3.982 50 0 EHAARP COc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1C[NH+]1CCCCC1 ZINC000095984899 564143891 /nfs/dbraw/zinc/14/38/91/564143891.db2.gz GJPYWODIJCLEJJ-DZIBYMRMSA-N 2 0 346.515 3.635 50 0 EHAARP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccs2)C[C@@H](C)O1 ZINC000069833324 564172445 /nfs/dbraw/zinc/17/24/45/564172445.db2.gz ZRZMGUZZNAUCFS-HZPDHXFCSA-N 2 0 330.497 3.647 50 0 EHAARP C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000822409510 1130991745 /nfs/dbraw/zinc/99/17/45/1130991745.db2.gz BIJJDPQUBPNVJV-QGZVFWFLSA-N 2 0 347.572 3.793 50 0 EHAARP c1csc(CN2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)c1 ZINC000829078394 1131447014 /nfs/dbraw/zinc/44/70/14/1131447014.db2.gz YFMPMRJDUUEYQV-IBGZPJMESA-N 2 0 326.509 3.860 50 0 EHAARP Cc1cc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc(C)[nH+]1 ZINC000072165700 216054667 /nfs/dbraw/zinc/05/46/67/216054667.db2.gz XTNVQWVXIMOUNY-BHDDXSALSA-N 2 0 333.479 3.765 50 0 EHAARP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)CC=C(C)C)C1 ZINC000012467886 211390239 /nfs/dbraw/zinc/39/02/39/211390239.db2.gz JZJTXJIGQBEGOY-LJQANCHMSA-N 2 0 330.516 3.848 50 0 EHAARP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnn(C)c1 ZINC000089913543 564115188 /nfs/dbraw/zinc/11/51/88/564115188.db2.gz MCVGKBIEQZFCLB-QGZVFWFLSA-N 2 0 348.494 4.000 50 0 EHAARP CC(C)c1ccc(C2(O)CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)cc1 ZINC000253417336 564130823 /nfs/dbraw/zinc/13/08/23/564130823.db2.gz VGOSAKWTIWGWRE-UHFFFAOYSA-N 2 0 342.527 3.792 50 0 EHAARP C[C@H]1C[NH+](CC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000096008364 564144625 /nfs/dbraw/zinc/14/46/25/564144625.db2.gz YNCOOVKBGWLBSC-IRXDYDNUSA-N 2 0 336.545 3.502 50 0 EHAARP C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@H]1C[NH2+]CCC[NH+](C)C ZINC000245267405 564168912 /nfs/dbraw/zinc/16/89/12/564168912.db2.gz LNUAAHAFERZTED-VDSSODIYSA-N 2 0 344.543 3.830 50 0 EHAARP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151706 529681970 /nfs/dbraw/zinc/68/19/70/529681970.db2.gz IHLXVUHEUKUVGG-DNVCBOLYSA-N 2 0 336.907 3.882 50 0 EHAARP Cc1cc(C[NH+]2CCCC2)cc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067843597 215228462 /nfs/dbraw/zinc/22/84/62/215228462.db2.gz BSNYLJFLZBIRKK-LJQANCHMSA-N 2 0 340.442 3.659 50 0 EHAARP C[N@@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@H]1CCOC(C)(C)C1 ZINC000215081047 241105841 /nfs/dbraw/zinc/10/58/41/241105841.db2.gz JDCICIYKVMCOKG-SFHVURJKSA-N 2 0 330.516 3.919 50 0 EHAARP COc1cc(C[NH+]2CCCCC2)c(OC)cc1C[NH+]1CCCCC1 ZINC000004772781 210275844 /nfs/dbraw/zinc/27/58/44/210275844.db2.gz VUUSCTXVGCJZKI-UHFFFAOYSA-N 2 0 332.488 3.676 50 0 EHAARP CCCCC[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C=C(C)[C@H]1C(=O)OCC ZINC000245310678 258000402 /nfs/dbraw/zinc/00/04/02/258000402.db2.gz JRFXBJKUUCWENF-GUDVDZBRSA-N 2 0 338.536 3.622 50 0 EHAARP Cc1ccsc1C[N@@H+](C)CC1(c2ccc(C)cn2)CC[NH2+]CC1 ZINC000065452482 563961053 /nfs/dbraw/zinc/96/10/53/563961053.db2.gz YOBPDHXNRXDCMA-UHFFFAOYSA-N 2 0 329.513 3.513 50 0 EHAARP CCCCC[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163993 563996524 /nfs/dbraw/zinc/99/65/24/563996524.db2.gz JRFXBJKUUCWENF-QYZOEREBSA-N 2 0 338.536 3.622 50 0 EHAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967534 564034047 /nfs/dbraw/zinc/03/40/47/564034047.db2.gz VVRJVEBKDAHHAI-HLNSBACISA-N 2 0 338.442 3.984 50 0 EHAARP C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000002139263 564118910 /nfs/dbraw/zinc/11/89/10/564118910.db2.gz LNUAAHAFERZTED-WRVJLHSDSA-N 2 0 344.543 3.830 50 0 EHAARP COc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1C[NH+]1CCCCC1 ZINC000095984900 564143896 /nfs/dbraw/zinc/14/38/96/564143896.db2.gz GJPYWODIJCLEJJ-PBPGXSGUSA-N 2 0 346.515 3.635 50 0 EHAARP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000585086158 1136981544 /nfs/dbraw/zinc/98/15/44/1136981544.db2.gz PWDRCDKYFBGIOW-UTKZUKDTSA-N 2 0 326.484 3.565 50 0 EHAARP C[NH+](C)Cc1csc(C[N@H+](C)Cc2cccc3ncccc23)c1 ZINC000072121654 216015121 /nfs/dbraw/zinc/01/51/21/216015121.db2.gz KVJNTZPTCRSYRM-UHFFFAOYSA-N 2 0 325.481 3.990 50 0 EHAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)c1 ZINC000072411266 216204156 /nfs/dbraw/zinc/20/41/56/216204156.db2.gz RFEPKWBZRRUFPX-LJQANCHMSA-N 2 0 342.458 3.618 50 0 EHAARP COc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1C[NH+]1CCCC1 ZINC000215178456 241111280 /nfs/dbraw/zinc/11/12/80/241111280.db2.gz RAYXAAPSIYSZHC-KRWDZBQOSA-N 2 0 339.483 3.879 50 0 EHAARP O[C@H]1C[C@@H]([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2cccs2)C1 ZINC000244641289 243050802 /nfs/dbraw/zinc/05/08/02/243050802.db2.gz GMVZTGQPBDGPHH-YJLNNSPDSA-N 2 0 334.529 3.557 50 0 EHAARP C[C@H](C1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077523856 216927648 /nfs/dbraw/zinc/92/76/48/216927648.db2.gz ZEQQIKNENORUMM-MRXNPFEDSA-N 2 0 330.520 3.686 50 0 EHAARP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421740 218364184 /nfs/dbraw/zinc/36/41/84/218364184.db2.gz MAVCMLXGHWZTOF-GOTSBHOMSA-N 2 0 349.522 3.642 50 0 EHAARP COC(C)(C)CCC[C@H](C)CC[NH2+]CCCCC[NH+]1CCOCC1 ZINC000032513712 563913822 /nfs/dbraw/zinc/91/38/22/563913822.db2.gz MOYVRQRQBIRQGU-IBGZPJMESA-N 2 0 342.568 3.700 50 0 EHAARP C[NH2+]CCC[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063857311 563956300 /nfs/dbraw/zinc/95/63/00/563956300.db2.gz BCYJJRYDMNVYKA-UHFFFAOYSA-N 2 0 341.474 3.661 50 0 EHAARP c1ccc(NC[C@H]2CC[N@@H+](CCCc3nc4ccccc4o3)C2)nc1 ZINC000065466336 563998196 /nfs/dbraw/zinc/99/81/96/563998196.db2.gz ZUSWUSLUCODNNH-MRXNPFEDSA-N 2 0 336.439 3.589 50 0 EHAARP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000089840169 564114150 /nfs/dbraw/zinc/11/41/50/564114150.db2.gz MZUYBCUWNXCVQA-QGZVFWFLSA-N 2 0 326.488 3.643 50 0 EHAARP Cc1noc(C)c1CN(C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823702943 1131079263 /nfs/dbraw/zinc/07/92/63/1131079263.db2.gz LLBHYGUCDWKOJJ-UHFFFAOYSA-N 2 0 333.501 3.971 50 0 EHAARP Cc1ccc([C@@H](C)CC[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000215041123 241101900 /nfs/dbraw/zinc/10/19/00/241101900.db2.gz MDTLHDMDMZIYFT-INIZCTEOSA-N 2 0 327.472 3.997 50 0 EHAARP Cn1ccnc1CCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216524066 241199578 /nfs/dbraw/zinc/19/95/78/241199578.db2.gz HNTHAXJPGGNYCM-UHFFFAOYSA-N 2 0 346.544 3.532 50 0 EHAARP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000244719125 243070422 /nfs/dbraw/zinc/07/04/22/243070422.db2.gz LXLPRETVLCRJAS-HSZRJFAPSA-N 2 0 349.522 3.641 50 0 EHAARP Cc1cc(C)cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000078553919 217074968 /nfs/dbraw/zinc/07/49/68/217074968.db2.gz NEZLCRRWVDNMGU-UHFFFAOYSA-N 2 0 338.495 3.550 50 0 EHAARP C[NH+](C)[C@H]1CCCCN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000082100203 563972269 /nfs/dbraw/zinc/97/22/69/563972269.db2.gz XMDTWLSOPNLSQQ-SFHVURJKSA-N 2 0 335.561 3.650 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005348805 564002980 /nfs/dbraw/zinc/00/29/80/564002980.db2.gz GRUUTXSLUORAFV-VQTJNVASSA-N 2 0 332.532 3.907 50 0 EHAARP Cc1nccn1-c1ccccc1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067802840 215214874 /nfs/dbraw/zinc/21/48/74/215214874.db2.gz MQOCCWHTKUNHDG-UHFFFAOYSA-N 2 0 338.499 3.583 50 0 EHAARP Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc(C)[nH+]1 ZINC000072149870 216038412 /nfs/dbraw/zinc/03/84/12/216038412.db2.gz XTNVQWVXIMOUNY-YPAWHYETSA-N 2 0 333.479 3.765 50 0 EHAARP C[n+]1c2ccccc2sc1CCCc1sc2ccccc2[n+]1C ZINC000000404877 209571219 /nfs/dbraw/zinc/57/12/19/209571219.db2.gz DHVVGIDZZQCGQH-UHFFFAOYSA-N 2 0 340.517 3.940 50 0 EHAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)c1 ZINC000072411267 216204354 /nfs/dbraw/zinc/20/43/54/216204354.db2.gz RFEPKWBZRRUFPX-IBGZPJMESA-N 2 0 342.458 3.618 50 0 EHAARP Cc1ccc(NC(=O)CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c(C)c1 ZINC000067447261 215146704 /nfs/dbraw/zinc/14/67/04/215146704.db2.gz OCEKXXZRDFILHX-UHFFFAOYSA-N 2 0 343.515 3.534 50 0 EHAARP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072126670 216017800 /nfs/dbraw/zinc/01/78/00/216017800.db2.gz RVFPAAFGMQKSCO-SFHVURJKSA-N 2 0 349.478 3.612 50 0 EHAARP C[C@H]([NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000095421349 218363001 /nfs/dbraw/zinc/36/30/01/218363001.db2.gz YTWFEDATJQSRIF-FXAWDEMLSA-N 2 0 341.499 3.698 50 0 EHAARP C[C@@H](C1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077523853 563970219 /nfs/dbraw/zinc/97/02/19/563970219.db2.gz ZEQQIKNENORUMM-INIZCTEOSA-N 2 0 330.520 3.686 50 0 EHAARP C[C@@H]1CCCC[N@@H+]1C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000244894030 564052322 /nfs/dbraw/zinc/05/23/22/564052322.db2.gz YYSCVZPXYYWMJP-QGZVFWFLSA-N 2 0 347.572 3.793 50 0 EHAARP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000585086157 1136981694 /nfs/dbraw/zinc/98/16/94/1136981694.db2.gz PWDRCDKYFBGIOW-LAUBAEHRSA-N 2 0 326.484 3.565 50 0 EHAARP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000133151485 529585378 /nfs/dbraw/zinc/58/53/78/529585378.db2.gz IHLXVUHEUKUVGG-BEFAXECRSA-N 2 0 336.907 3.882 50 0 EHAARP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060236 /nfs/dbraw/zinc/06/02/36/212060236.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 2 0 349.950 3.614 50 0 EHAARP CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C[NH+](C)C)cs1)C2 ZINC000091738085 218055704 /nfs/dbraw/zinc/05/57/04/218055704.db2.gz ANTLEGXXQKJRFO-PKOBYXMFSA-N 2 0 347.572 3.672 50 0 EHAARP CC(C)[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071589623 563964629 /nfs/dbraw/zinc/96/46/29/563964629.db2.gz ASMMIGBIDVQHHK-LJQANCHMSA-N 2 0 336.907 3.834 50 0 EHAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000223338857 564039615 /nfs/dbraw/zinc/03/96/15/564039615.db2.gz OUAGKTIWHKDTKE-UHFFFAOYSA-N 2 0 338.495 3.510 50 0 EHAARP C[NH2+]CCCC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000063868583 564082960 /nfs/dbraw/zinc/08/29/60/564082960.db2.gz ATXCQHFJBFPTRK-UHFFFAOYSA-N 2 0 337.511 3.912 50 0 EHAARP Cc1cnc([C@H]2CC[N@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791953 1032661693 /nfs/dbraw/zinc/66/16/93/1032661693.db2.gz STEKGVIJRAHVIK-FQEVSTJZSA-N 2 0 332.451 3.624 50 0 EHAARP Cc1nc(CN2CCC(C[NH2+]C[C@H](C)c3ccccc3)CC2)oc1C ZINC000194380454 1026239722 /nfs/dbraw/zinc/23/97/22/1026239722.db2.gz IHSQDMYWDFFMMP-INIZCTEOSA-N 2 0 341.499 3.897 50 0 EHAARP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000067975616 215265199 /nfs/dbraw/zinc/26/51/99/215265199.db2.gz ZGWYVQWRGBFPLO-QGZVFWFLSA-N 2 0 334.467 3.562 50 0 EHAARP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000188000780 236378718 /nfs/dbraw/zinc/37/87/18/236378718.db2.gz DURYVBLVAXQESN-HZPDHXFCSA-N 2 0 336.907 3.534 50 0 EHAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072164945 216054557 /nfs/dbraw/zinc/05/45/57/216054557.db2.gz GCMAUOMMBFGCJE-LJQANCHMSA-N 2 0 348.494 3.519 50 0 EHAARP c1cc(C[NH+]2CCCC2)sc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC000215778829 241146221 /nfs/dbraw/zinc/14/62/21/241146221.db2.gz FDPQLIZBNXCXDK-SFHVURJKSA-N 2 0 347.572 3.794 50 0 EHAARP COc1ccc([C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]2[NH+](C)C)cc1 ZINC000095365436 218297740 /nfs/dbraw/zinc/29/77/40/218297740.db2.gz UJHUINGLSXYOFN-SIKLNZKXSA-N 2 0 347.462 3.777 50 0 EHAARP Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000097159154 563968321 /nfs/dbraw/zinc/96/83/21/563968321.db2.gz HQOIIQBLDQNQQC-UHFFFAOYSA-N 2 0 326.488 3.548 50 0 EHAARP C[C@H](C1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1)[NH+](C)C ZINC000077437129 563969616 /nfs/dbraw/zinc/96/96/16/563969616.db2.gz KAXOTIWINUVFIC-MRXNPFEDSA-N 3 0 335.561 3.506 50 0 EHAARP Cc1cc(-n2c(C)cc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c2C)no1 ZINC000007984383 564161797 /nfs/dbraw/zinc/16/17/97/564161797.db2.gz FMUOJHSGJNWWDH-UHFFFAOYSA-N 2 0 344.503 3.789 50 0 EHAARP C[N@@H+](Cc1ccncc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012436026 211379197 /nfs/dbraw/zinc/37/91/97/211379197.db2.gz JEVNBGYTJYJECJ-UHFFFAOYSA-N 2 0 341.474 3.607 50 0 EHAARP CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000095374649 218307632 /nfs/dbraw/zinc/30/76/32/218307632.db2.gz YPMJVCIDHIDBIO-PKOBYXMFSA-N 2 0 347.572 3.650 50 0 EHAARP C[C@@H]([NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000095421350 218362859 /nfs/dbraw/zinc/36/28/59/218362859.db2.gz YTWFEDATJQSRIF-YLJYHZDGSA-N 2 0 341.499 3.698 50 0 EHAARP C[NH2+]CCCC[NH2+]C1CCN(c2ccc(-c3ccco3)cc2)CC1 ZINC000063883799 132806249 /nfs/dbraw/zinc/80/62/49/132806249.db2.gz XUKJBOHLDVZUMZ-UHFFFAOYSA-N 2 0 327.472 3.505 50 0 EHAARP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000252510672 564120078 /nfs/dbraw/zinc/12/00/78/564120078.db2.gz ZOAJJSZDEJSXCZ-DUXKGJEZSA-N 2 0 342.527 3.659 50 0 EHAARP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253370273 564130302 /nfs/dbraw/zinc/13/03/02/564130302.db2.gz OMRORPZRNPOTMS-OALUTQOASA-N 2 0 345.556 3.583 50 0 EHAARP Cc1nc(CN2CCC(C[NH2+]C[C@@H](C)c3ccccc3)CC2)oc1C ZINC000194380442 1026239380 /nfs/dbraw/zinc/23/93/80/1026239380.db2.gz IHSQDMYWDFFMMP-MRXNPFEDSA-N 2 0 341.499 3.897 50 0 EHAARP Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544784 1131568625 /nfs/dbraw/zinc/56/86/25/1131568625.db2.gz BHNUUWIJPIZOQR-FQEVSTJZSA-N 2 0 346.478 3.699 50 0 EHAARP CCn1c(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000067677731 215183417 /nfs/dbraw/zinc/18/34/17/215183417.db2.gz YIPUFLPCDGTFCP-UHFFFAOYSA-N 2 0 340.515 3.501 50 0 EHAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091624979 218033382 /nfs/dbraw/zinc/03/33/82/218033382.db2.gz SSVUMOKJOUVBTF-NRFANRHFSA-N 2 0 335.495 3.783 50 0 EHAARP Cc1[nH+]c(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c2ccccn12 ZINC000071416090 563964366 /nfs/dbraw/zinc/96/43/66/563964366.db2.gz OTSJHUJQJPPEJO-NRFANRHFSA-N 2 0 340.515 3.585 50 0 EHAARP CN(CC[N@H+](C)C1c2ccccc2-c2ccccc21)C1CC[NH+](C)CC1 ZINC000075106311 564080117 /nfs/dbraw/zinc/08/01/17/564080117.db2.gz JDHGXSUTMVMZKY-UHFFFAOYSA-N 2 0 349.522 3.714 50 0 EHAARP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429373 216221034 /nfs/dbraw/zinc/22/10/34/216221034.db2.gz XIOHRRCCAONXHC-JOCHJYFZSA-N 2 0 344.543 3.698 50 0 EHAARP Cc1nc2ccccc2nc1C[NH+]1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072454106 216241592 /nfs/dbraw/zinc/24/15/92/216241592.db2.gz MEVDMBXCXRFPGS-KRWDZBQOSA-N 2 0 338.499 3.635 50 0 EHAARP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484371 563955339 /nfs/dbraw/zinc/95/53/39/563955339.db2.gz KGEIHHUWMJPNNI-JCGIZDLHSA-N 2 0 342.462 3.597 50 0 EHAARP Cc1noc2ncc(C[NH2+]Cc3ccccc3C[N@@H+](C)C(C)C)cc12 ZINC000585136441 563971887 /nfs/dbraw/zinc/97/18/87/563971887.db2.gz GLOLYKXCKSLFSW-UHFFFAOYSA-N 2 0 338.455 3.661 50 0 EHAARP CC(C)c1nccn1CCC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000952984722 1137485377 /nfs/dbraw/zinc/48/53/77/1137485377.db2.gz MISFFKNVFGYYAZ-UHFFFAOYSA-N 2 0 335.835 3.569 50 0 EHAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072164944 216054583 /nfs/dbraw/zinc/05/45/83/216054583.db2.gz GCMAUOMMBFGCJE-IBGZPJMESA-N 2 0 348.494 3.519 50 0 EHAARP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220862 /nfs/dbraw/zinc/22/08/62/216220862.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 2 0 344.543 3.698 50 0 EHAARP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060880 /nfs/dbraw/zinc/06/08/80/212060880.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 2 0 349.950 3.614 50 0 EHAARP CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000004763934 210273450 /nfs/dbraw/zinc/27/34/50/210273450.db2.gz TWTOFPRZEXCURK-XYJFISCASA-N 2 0 334.504 3.645 50 0 EHAARP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3nonc32)cc1 ZINC000216253054 536020139 /nfs/dbraw/zinc/02/01/39/536020139.db2.gz LLOGZNGXWNEXSM-IBGZPJMESA-N 2 0 336.439 3.622 50 0 EHAARP CCn1c[n+](CCCC[n+]2cn(CC)c3ccccc32)c2ccccc21 ZINC000002385082 563566976 /nfs/dbraw/zinc/56/69/76/563566976.db2.gz VNFSVFSKTJHKAM-UHFFFAOYSA-N 2 0 348.494 3.691 50 0 EHAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135706 563885064 /nfs/dbraw/zinc/88/50/64/563885064.db2.gz VVRJVEBKDAHHAI-COCCGSRQSA-N 2 0 338.442 3.984 50 0 EHAARP C[NH+](C)CCC[NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005350079 564003029 /nfs/dbraw/zinc/00/30/29/564003029.db2.gz NUXBPJRERSFVCH-NHCUHLMSSA-N 2 0 346.559 3.982 50 0 EHAARP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641670 564013502 /nfs/dbraw/zinc/01/35/02/564013502.db2.gz GLMGOLARIGOMTN-YWZLYKJASA-N 2 0 344.886 3.757 50 0 EHAARP CC(C)CC[C@@H](CC[NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000002441970 564135228 /nfs/dbraw/zinc/13/52/28/564135228.db2.gz HCXCEIGJTTYITG-KRWDZBQOSA-N 2 0 334.504 3.867 50 0 EHAARP C[NH+]1CCC(CC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424316884 1042756602 /nfs/dbraw/zinc/75/66/02/1042756602.db2.gz QNGOQJMGDHZBAH-GOSISDBHSA-N 2 0 329.513 3.748 50 0 EHAARP CCCn1c(C)c[nH+]c1C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581806728 1132369665 /nfs/dbraw/zinc/36/96/65/1132369665.db2.gz WJMOBBIDYILLPQ-HNNXBMFYSA-N 2 0 333.426 3.944 50 0 EHAARP C[C@@H](C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1)[NH+]1CCCC1 ZINC000072480586 216260355 /nfs/dbraw/zinc/26/03/55/216260355.db2.gz RQRYBVCNPKFVHW-HNNXBMFYSA-N 2 0 338.442 3.984 50 0 EHAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)CC=C(C)C)C2)cc1 ZINC000011842064 211256342 /nfs/dbraw/zinc/25/63/42/211256342.db2.gz TYMXQFRNZYRIFK-FQEVSTJZSA-N 2 0 330.516 3.848 50 0 EHAARP C[C@H]1CCCC[N@@H+]1C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000244894029 564052362 /nfs/dbraw/zinc/05/23/62/564052362.db2.gz YYSCVZPXYYWMJP-KRWDZBQOSA-N 2 0 347.572 3.793 50 0 EHAARP Cc1ccc2ccccc2c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000952879930 1137483239 /nfs/dbraw/zinc/48/32/39/1137483239.db2.gz ALNISJCAQWXYDW-UHFFFAOYSA-N 2 0 338.495 3.881 50 0 EHAARP Cc1cc2ccccc2n1CC[NH2+]Cc1cc(C[NH+](C)C)cs1 ZINC000952980303 1137484683 /nfs/dbraw/zinc/48/46/83/1137484683.db2.gz GKAGPSBVRXBNQH-UHFFFAOYSA-N 2 0 327.497 3.863 50 0 EHAARP C[NH+]1CCC(C2CC[NH+](Cc3cnc(CC4CCCC4)[nH]3)CC2)CC1 ZINC000072148833 216036190 /nfs/dbraw/zinc/03/61/90/216036190.db2.gz KIBOTGCPMOYAKU-UHFFFAOYSA-N 2 0 344.547 3.696 50 0 EHAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091894355 218084350 /nfs/dbraw/zinc/08/43/50/218084350.db2.gz AYILHWODKSIFLH-HXUWFJFHSA-N 2 0 335.495 3.783 50 0 EHAARP C[C@H]([NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)c1ccco1 ZINC000095421347 218363021 /nfs/dbraw/zinc/36/30/21/218363021.db2.gz YTWFEDATJQSRIF-PXNSSMCTSA-N 2 0 341.499 3.698 50 0 EHAARP CC(C)[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071589622 563964618 /nfs/dbraw/zinc/96/46/18/563964618.db2.gz ASMMIGBIDVQHHK-IBGZPJMESA-N 2 0 336.907 3.834 50 0 EHAARP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000097232083 563970757 /nfs/dbraw/zinc/97/07/57/563970757.db2.gz OMRORPZRNPOTMS-RBUKOAKNSA-N 2 0 345.556 3.583 50 0 EHAARP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952974949 1137484612 /nfs/dbraw/zinc/48/46/12/1137484612.db2.gz KUWJRQYPENNNPF-IBGZPJMESA-N 2 0 343.515 3.909 50 0 EHAARP COc1ccc(-c2cc(N3CC[NH2+]C[C@@H]3C)c3ccccc3[nH+]2)cc1 ZINC000004542895 210218044 /nfs/dbraw/zinc/21/80/44/210218044.db2.gz OOBNRRMBCKHQPS-HNNXBMFYSA-N 2 0 333.435 3.709 50 0 EHAARP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421739 218364103 /nfs/dbraw/zinc/36/41/03/218364103.db2.gz MAVCMLXGHWZTOF-DHIUTWEWSA-N 2 0 349.522 3.642 50 0 EHAARP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3nonc32)cc1 ZINC000216253100 536020918 /nfs/dbraw/zinc/02/09/18/536020918.db2.gz LLOGZNGXWNEXSM-LJQANCHMSA-N 2 0 336.439 3.622 50 0 EHAARP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000032558384 563913923 /nfs/dbraw/zinc/91/39/23/563913923.db2.gz KPKMNZWSGBRCQZ-SFHVURJKSA-N 2 0 326.484 3.922 50 0 EHAARP C[NH2+]CCCC[NH2+]C1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000063868997 563956273 /nfs/dbraw/zinc/95/62/73/563956273.db2.gz VTLYAQQZVWEVET-UHFFFAOYSA-N 2 0 337.511 3.912 50 0 EHAARP Cc1cc(N2CC[NH+](Cc3ncccc3C)CC2)c2ccccc2[nH+]1 ZINC000077469909 563969813 /nfs/dbraw/zinc/96/98/13/563969813.db2.gz HLBPOPWLKHLXQQ-UHFFFAOYSA-N 2 0 332.451 3.569 50 0 EHAARP Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC000089583167 564092981 /nfs/dbraw/zinc/09/29/81/564092981.db2.gz GRSHEQJUSIWHHH-LJQANCHMSA-N 2 0 347.462 3.856 50 0 EHAARP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000007984029 564161769 /nfs/dbraw/zinc/16/17/69/564161769.db2.gz UZENEBUIIKVJOL-UHFFFAOYSA-N 2 0 336.483 3.703 50 0 EHAARP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000069833323 564172383 /nfs/dbraw/zinc/17/23/83/564172383.db2.gz ZRZMGUZZNAUCFS-HOTGVXAUSA-N 2 0 330.497 3.647 50 0 EHAARP C[C@@H](c1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1)[NH+](C)C ZINC000072156850 216046619 /nfs/dbraw/zinc/04/66/19/216046619.db2.gz PWVABRFMFBGZEA-SFHVURJKSA-N 3 0 343.559 3.863 50 0 EHAARP CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166421 216056089 /nfs/dbraw/zinc/05/60/89/216056089.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 2 0 349.588 3.896 50 0 EHAARP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000095421738 218363839 /nfs/dbraw/zinc/36/38/39/218363839.db2.gz MAVCMLXGHWZTOF-PKTZIBPZSA-N 2 0 349.522 3.642 50 0 EHAARP CC1(C)C[C@H](N2CCC([NH2+]CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000097165812 563968522 /nfs/dbraw/zinc/96/85/22/563968522.db2.gz WNIWUMULLGDVDH-NRFANRHFSA-N 2 0 341.543 3.504 50 0 EHAARP