smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@H](NCC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004784435 557597702 /nfs/dbraw/zinc/59/77/02/557597702.db2.gz QUSFCZKTKIMQAB-IBGZPJMESA-N 1 3 401.507 3.021 50 0 HGAAHO Nc1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020235764 558350796 /nfs/dbraw/zinc/35/07/96/558350796.db2.gz KTQCMTSBZHKDOD-FQEVSTJZSA-N 1 3 400.615 3.001 50 0 HGAAHO Nc1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020235764 558350799 /nfs/dbraw/zinc/35/07/99/558350799.db2.gz KTQCMTSBZHKDOD-FQEVSTJZSA-N 1 3 400.615 3.001 50 0 HGAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000012320813 558382480 /nfs/dbraw/zinc/38/24/80/558382480.db2.gz PMGALUIDRCRBQE-JOCHJYFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000012320813 558382483 /nfs/dbraw/zinc/38/24/83/558382483.db2.gz PMGALUIDRCRBQE-JOCHJYFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CCC(=O)N[C@@H]1CCCN(CCCCCCCC[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772288 /nfs/dbraw/zinc/77/22/88/558772288.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 1 3 422.658 3.308 50 0 HGAAHO CCC(=O)N[C@@H]1CCCN(CCCCCCCC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772291 /nfs/dbraw/zinc/77/22/91/558772291.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 1 3 422.658 3.308 50 0 HGAAHO CCC(=O)N[C@@H]1CCC[N@@H+](CCCCCCCCN2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772292 /nfs/dbraw/zinc/77/22/92/558772292.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 1 3 422.658 3.308 50 0 HGAAHO CCC(=O)N[C@@H]1CCC[N@H+](CCCCCCCCN2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772295 /nfs/dbraw/zinc/77/22/95/558772295.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 1 3 422.658 3.308 50 0 HGAAHO Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095523162 559085587 /nfs/dbraw/zinc/08/55/87/559085587.db2.gz WSAFDODFUAIMJU-LJQANCHMSA-N 1 3 400.542 3.378 50 0 HGAAHO O[C@@H](COc1cccc(CNCc2cccnc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000011937825 559268817 /nfs/dbraw/zinc/26/88/17/559268817.db2.gz HHVOYGQPYSNDEE-XMMPIXPASA-N 1 3 403.526 3.169 50 0 HGAAHO O[C@@H](COc1cccc(CNCc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000011937825 559268819 /nfs/dbraw/zinc/26/88/19/559268819.db2.gz HHVOYGQPYSNDEE-XMMPIXPASA-N 1 3 403.526 3.169 50 0 HGAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104533131 569008974 /nfs/dbraw/zinc/00/89/74/569008974.db2.gz ITIBVDKDQXCLAP-RUZDIDTESA-N 1 3 423.601 3.228 50 0 HGAAHO CN1CCC([N@H+]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104533131 569008975 /nfs/dbraw/zinc/00/89/75/569008975.db2.gz ITIBVDKDQXCLAP-RUZDIDTESA-N 1 3 423.601 3.228 50 0 HGAAHO O=C(NCc1ccon1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000011878605 558293010 /nfs/dbraw/zinc/29/30/10/558293010.db2.gz BJYNLSXUOMWHPQ-UHFFFAOYSA-N 1 3 410.562 3.100 50 0 HGAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3ccccc3OCCO)CC2)cc1 ZINC000012430559 558405253 /nfs/dbraw/zinc/40/52/53/558405253.db2.gz DHZZOHHBNLFYTL-UHFFFAOYSA-N 1 3 412.574 3.453 50 0 HGAAHO Cc1n[nH]c(C)c1CCNCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012478313 558423069 /nfs/dbraw/zinc/42/30/69/558423069.db2.gz XBXPBXMKECDDQO-QFIPXVFZSA-N 1 3 414.594 3.363 50 0 HGAAHO Cc1n[nH]c(C)c1CCNCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012478313 558423072 /nfs/dbraw/zinc/42/30/72/558423072.db2.gz XBXPBXMKECDDQO-QFIPXVFZSA-N 1 3 414.594 3.363 50 0 HGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981209 558691591 /nfs/dbraw/zinc/69/15/91/558691591.db2.gz OYXGPRHOAMTEQR-MRXNPFEDSA-N 1 3 403.464 3.380 50 0 HGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCOc1cccnc1)C1CCCCC1 ZINC000015072411 558713834 /nfs/dbraw/zinc/71/38/34/558713834.db2.gz RHCXDJYXBHZSNP-QFIPXVFZSA-N 1 3 413.562 3.254 50 0 HGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCOc1cccnc1)C1CCCCC1 ZINC000015072411 558713837 /nfs/dbraw/zinc/71/38/37/558713837.db2.gz RHCXDJYXBHZSNP-QFIPXVFZSA-N 1 3 413.562 3.254 50 0 HGAAHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518439 558821981 /nfs/dbraw/zinc/82/19/81/558821981.db2.gz UONLGUZLAWTBBK-NHCUHLMSSA-N 1 3 421.626 3.153 50 0 HGAAHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518439 558821983 /nfs/dbraw/zinc/82/19/83/558821983.db2.gz UONLGUZLAWTBBK-NHCUHLMSSA-N 1 3 421.626 3.153 50 0 HGAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012001998 559270700 /nfs/dbraw/zinc/27/07/00/559270700.db2.gz CZQOAGSNSGKIJA-HSZRJFAPSA-N 1 3 414.594 3.238 50 0 HGAAHO Cc1oc2cc3c(cc2c1C(=O)OCCN(C)C)oc(C)c3C(=O)OCC[NH+](C)C ZINC000000806681 568487656 /nfs/dbraw/zinc/48/76/56/568487656.db2.gz WXQUZMCQBBNKNQ-UHFFFAOYSA-N 1 3 416.474 3.233 50 0 HGAAHO Cn1nccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012594906 568868796 /nfs/dbraw/zinc/86/87/96/568868796.db2.gz XXGSUCZXDYOJPX-FQEVSTJZSA-N 1 3 401.599 3.003 50 0 HGAAHO Cn1nccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012594906 568868797 /nfs/dbraw/zinc/86/87/97/568868797.db2.gz XXGSUCZXDYOJPX-FQEVSTJZSA-N 1 3 401.599 3.003 50 0 HGAAHO CC[N@@H+]1CCC[C@H]1CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786164 568875661 /nfs/dbraw/zinc/87/56/61/568875661.db2.gz PKOXLRGRQNVLSL-SJORKVTESA-N 1 3 407.942 3.024 50 0 HGAAHO CC[N@H+]1CCC[C@H]1CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786164 568875662 /nfs/dbraw/zinc/87/56/62/568875662.db2.gz PKOXLRGRQNVLSL-SJORKVTESA-N 1 3 407.942 3.024 50 0 HGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000012076413 558320168 /nfs/dbraw/zinc/32/01/68/558320168.db2.gz DBQRMWDOYJHGMJ-QHCPKHFHSA-N 1 3 412.574 3.343 50 0 HGAAHO Cc1cc(C)n(CCNCc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)n1 ZINC000012836799 558478412 /nfs/dbraw/zinc/47/84/12/558478412.db2.gz DYIWLBTVLYXQQP-HSZRJFAPSA-N 1 3 414.594 3.294 50 0 HGAAHO Cc1cc(C)n(CCNCc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)n1 ZINC000012836799 558478416 /nfs/dbraw/zinc/47/84/16/558478416.db2.gz DYIWLBTVLYXQQP-HSZRJFAPSA-N 1 3 414.594 3.294 50 0 HGAAHO CCOc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1OC ZINC000004698604 558906814 /nfs/dbraw/zinc/90/68/14/558906814.db2.gz YLZKDRQKQWCSAV-UHFFFAOYSA-N 1 3 405.583 3.010 50 0 HGAAHO CN1CC[N@H+](CCCNCc2csc(-c3ncccn3)n2)[C@H](c2ccccc2)C1 ZINC000058298877 558917551 /nfs/dbraw/zinc/91/75/51/558917551.db2.gz LBIUZDZNVAJWBL-FQEVSTJZSA-N 1 3 408.575 3.069 50 0 HGAAHO CN1CC[N@@H+](CCCNCc2csc(-c3ncccn3)n2)[C@H](c2ccccc2)C1 ZINC000058298877 558917552 /nfs/dbraw/zinc/91/75/52/558917552.db2.gz LBIUZDZNVAJWBL-FQEVSTJZSA-N 1 3 408.575 3.069 50 0 HGAAHO CN(C)CCNC(=O)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000096133716 559095541 /nfs/dbraw/zinc/09/55/41/559095541.db2.gz MYYHXSOXYOVNHT-UHFFFAOYSA-N 1 3 402.926 3.074 50 0 HGAAHO CC[N@@H+]1CCC[C@@H]1CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786152 568875509 /nfs/dbraw/zinc/87/55/09/568875509.db2.gz PKOXLRGRQNVLSL-IAGOWNOFSA-N 1 3 407.942 3.024 50 0 HGAAHO CC[N@H+]1CCC[C@@H]1CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786152 568875511 /nfs/dbraw/zinc/87/55/11/568875511.db2.gz PKOXLRGRQNVLSL-IAGOWNOFSA-N 1 3 407.942 3.024 50 0 HGAAHO Cc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257279 569208670 /nfs/dbraw/zinc/20/86/70/569208670.db2.gz QFAOHBUZDCNHSG-UHFFFAOYSA-N 1 3 409.578 3.161 50 0 HGAAHO CN(C)Cc1ccc([C@@H]2CC[C@@H](c3ccc(C[NH+](C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000002519582 557354246 /nfs/dbraw/zinc/35/42/46/557354246.db2.gz VTXHMPQMXJZLNG-ROUUACIJSA-N 1 3 411.472 3.433 50 0 HGAAHO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc(CN4CCCCC4)cs3)CC2)O1 ZINC000011997915 558307489 /nfs/dbraw/zinc/30/74/89/558307489.db2.gz FYORVTCQWZEYKY-FQEVSTJZSA-N 1 3 405.608 3.384 50 0 HGAAHO O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000015065066 558708139 /nfs/dbraw/zinc/70/81/39/558708139.db2.gz SFYKTZPDFOFJOO-DEOSSOPVSA-N 1 3 406.574 3.465 50 0 HGAAHO COc1ccccc1CN1CCC[C@H](CN(CC[NH+](C)C)Cc2nccs2)C1 ZINC000039557989 558822478 /nfs/dbraw/zinc/82/24/78/558822478.db2.gz NFZUAMXZLWNTRY-IBGZPJMESA-N 1 3 402.608 3.428 50 0 HGAAHO Cn1ccnc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510598 559083734 /nfs/dbraw/zinc/08/37/34/559083734.db2.gz UGPNVTOGBQTYKG-FQEVSTJZSA-N 1 3 401.599 3.003 50 0 HGAAHO Cn1ccnc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095510598 559083735 /nfs/dbraw/zinc/08/37/35/559083735.db2.gz UGPNVTOGBQTYKG-FQEVSTJZSA-N 1 3 401.599 3.003 50 0 HGAAHO O[C@@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)CN1CCc2ccccc2C1 ZINC000012308018 568464725 /nfs/dbraw/zinc/46/47/25/568464725.db2.gz VBRHNWKGNBLPEP-RUZDIDTESA-N 1 3 417.553 3.212 50 0 HGAAHO COc1ccccc1CN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000004598870 557570985 /nfs/dbraw/zinc/57/09/85/557570985.db2.gz ACWSHVZHZFGRKF-UHFFFAOYSA-N 1 3 409.574 3.498 50 0 HGAAHO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)CC1 ZINC000019841615 558294201 /nfs/dbraw/zinc/29/42/01/558294201.db2.gz CNPRHXIYNGDXEA-JOCHJYFZSA-N 1 3 417.981 3.007 50 0 HGAAHO CSC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012000021 558308165 /nfs/dbraw/zinc/30/81/65/558308165.db2.gz CYBLSQUNUXPBSX-OAHLLOKOSA-N 1 3 414.015 3.226 50 0 HGAAHO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012712393 558453381 /nfs/dbraw/zinc/45/33/81/558453381.db2.gz NRDUNUNIHYZFRW-QFIPXVFZSA-N 1 3 420.594 3.094 50 0 HGAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012385905 568673121 /nfs/dbraw/zinc/67/31/21/568673121.db2.gz ZHLLJPBLORXRSR-NRFANRHFSA-N 1 3 420.594 3.312 50 0 HGAAHO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000670450095 568925935 /nfs/dbraw/zinc/92/59/35/568925935.db2.gz QBTCXXSIFLMTGW-RUZDIDTESA-N 1 3 421.585 3.212 50 0 HGAAHO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000670450095 568925937 /nfs/dbraw/zinc/92/59/37/568925937.db2.gz QBTCXXSIFLMTGW-RUZDIDTESA-N 1 3 421.585 3.212 50 0 HGAAHO Cc1cccc(N2CCC([NH+]3CCC(CCC(=O)NCCN(C)C)CC3)CC2)c1C ZINC000011667878 132349139 /nfs/dbraw/zinc/34/91/39/132349139.db2.gz MSBYCNDDWYWHOU-UHFFFAOYSA-N 1 3 414.638 3.442 50 0 HGAAHO O=C(NCc1ccco1)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011816660 558280147 /nfs/dbraw/zinc/28/01/47/558280147.db2.gz YRHDHHNMVDMXQF-NRFANRHFSA-N 1 3 407.558 3.240 50 0 HGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000011821114 558284548 /nfs/dbraw/zinc/28/45/48/558284548.db2.gz XKUNAGSZHQOAQL-HSZRJFAPSA-N 1 3 421.541 3.122 50 0 HGAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2ccc(OC)cc2)ccc1OC ZINC000012712155 558453384 /nfs/dbraw/zinc/45/33/84/558453384.db2.gz VJGKAKJIWAWNRV-HXUWFJFHSA-N 1 3 402.535 3.075 50 0 HGAAHO O[C@H](COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1)CN1CCCCC1 ZINC000095524404 559085722 /nfs/dbraw/zinc/08/57/22/559085722.db2.gz DPQTXRVADPEQIG-QFIPXVFZSA-N 1 3 402.579 3.305 50 0 HGAAHO O[C@H](COc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1)CN1CCCCC1 ZINC000095524404 559085726 /nfs/dbraw/zinc/08/57/26/559085726.db2.gz DPQTXRVADPEQIG-QFIPXVFZSA-N 1 3 402.579 3.305 50 0 HGAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314464 /nfs/dbraw/zinc/31/44/64/558314464.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 1 3 412.574 3.453 50 0 HGAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314467 /nfs/dbraw/zinc/31/44/67/558314467.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 1 3 412.574 3.453 50 0 HGAAHO Nc1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020235767 558350719 /nfs/dbraw/zinc/35/07/19/558350719.db2.gz KTQCMTSBZHKDOD-HXUWFJFHSA-N 1 3 400.615 3.001 50 0 HGAAHO Nc1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020235767 558350722 /nfs/dbraw/zinc/35/07/22/558350722.db2.gz KTQCMTSBZHKDOD-HXUWFJFHSA-N 1 3 400.615 3.001 50 0 HGAAHO O[C@@H](COc1ccccc1C[NH2+]CCCn1ncc2ccccc21)CN1CCCCC1 ZINC000012753227 558459311 /nfs/dbraw/zinc/45/93/11/558459311.db2.gz KVFUVHFSTOTEJY-HSZRJFAPSA-N 1 3 422.573 3.442 50 0 HGAAHO O=C(NCc1ccno1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082161292 559041742 /nfs/dbraw/zinc/04/17/42/559041742.db2.gz NUGQMXMNXSOXCL-UHFFFAOYSA-N 1 3 410.562 3.100 50 0 HGAAHO O=C1C[C@@H](NCC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100218638 559132208 /nfs/dbraw/zinc/13/22/08/559132208.db2.gz QUSFCZKTKIMQAB-LJQANCHMSA-N 1 3 401.507 3.021 50 0 HGAAHO COc1ccc(CNCc2cccc(Cl)c2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012443032 568725030 /nfs/dbraw/zinc/72/50/30/568725030.db2.gz NOIUVTYLNRBOGQ-FQEVSTJZSA-N 1 3 404.938 3.474 50 0 HGAAHO Cc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c2ccccc2n1 ZINC000299783815 568875387 /nfs/dbraw/zinc/87/53/87/568875387.db2.gz VBQPOYXPYIACOO-NRFANRHFSA-N 1 3 422.573 3.305 50 0 HGAAHO C[N@H+](CCNC(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000065255862 569208061 /nfs/dbraw/zinc/20/80/61/569208061.db2.gz HDQJVGXUWRPEFB-QHCPKHFHSA-N 1 3 421.589 3.227 50 0 HGAAHO C[N@@H+](CCNC(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000065255862 569208062 /nfs/dbraw/zinc/20/80/62/569208062.db2.gz HDQJVGXUWRPEFB-QHCPKHFHSA-N 1 3 421.589 3.227 50 0 HGAAHO CN(C)CCn1ncc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1-c1ccccc1 ZINC000253426473 569368339 /nfs/dbraw/zinc/36/83/39/569368339.db2.gz VJEVXZIBXGJUMZ-UHFFFAOYSA-N 1 3 423.605 3.496 50 0 HGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000011668220 558269923 /nfs/dbraw/zinc/26/99/23/558269923.db2.gz TXWAESPHDVWJLF-DEOSSOPVSA-N 1 3 405.542 3.286 50 0 HGAAHO CN(C(=O)CC[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1)C1CC[NH+](C)CC1 ZINC000011938136 558301476 /nfs/dbraw/zinc/30/14/76/558301476.db2.gz IFKFWHWHGROVET-OAQYLSRUSA-N 1 3 423.605 3.417 50 0 HGAAHO CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012574336 558430438 /nfs/dbraw/zinc/43/04/38/558430438.db2.gz CUMGLYJNEVRSBM-HSZRJFAPSA-N 1 3 414.594 3.099 50 0 HGAAHO CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012574336 558430441 /nfs/dbraw/zinc/43/04/41/558430441.db2.gz CUMGLYJNEVRSBM-HSZRJFAPSA-N 1 3 414.594 3.099 50 0 HGAAHO O[C@H](COc1ccccc1C[NH2+]CCCn1ncc2ccccc21)CN1CCCCC1 ZINC000012753232 558459323 /nfs/dbraw/zinc/45/93/23/558459323.db2.gz KVFUVHFSTOTEJY-QHCPKHFHSA-N 1 3 422.573 3.442 50 0 HGAAHO COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000015075801 558716260 /nfs/dbraw/zinc/71/62/60/558716260.db2.gz PGVTXEWUVSMGAD-NRFANRHFSA-N 1 3 418.603 3.410 50 0 HGAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1)C1CCN(C)CC1 ZINC000011711467 558271352 /nfs/dbraw/zinc/27/13/52/558271352.db2.gz MPIBMCVQFIUJCO-NRFANRHFSA-N 1 3 423.605 3.417 50 0 HGAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)C1CCN(C)CC1 ZINC000011711467 558271355 /nfs/dbraw/zinc/27/13/55/558271355.db2.gz MPIBMCVQFIUJCO-NRFANRHFSA-N 1 3 423.605 3.417 50 0 HGAAHO COc1ccccc1CCN1CCC(C[N@H+](C)Cc2cccc(OCCO)c2)CC1 ZINC000011839340 558285971 /nfs/dbraw/zinc/28/59/71/558285971.db2.gz DNZJCNUBIQZIGG-UHFFFAOYSA-N 1 3 412.574 3.453 50 0 HGAAHO COc1ccccc1CCN1CCC(C[N@@H+](C)Cc2cccc(OCCO)c2)CC1 ZINC000011839340 558285973 /nfs/dbraw/zinc/28/59/73/558285973.db2.gz DNZJCNUBIQZIGG-UHFFFAOYSA-N 1 3 412.574 3.453 50 0 HGAAHO O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000011840121 558286365 /nfs/dbraw/zinc/28/63/65/558286365.db2.gz WPGUPEGGMLHOTQ-XMMPIXPASA-N 1 3 423.605 3.156 50 0 HGAAHO COCC[N@H+](Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1)C(C)C ZINC000012191967 558347940 /nfs/dbraw/zinc/34/79/40/558347940.db2.gz XQBFOCULDBNJMN-QHCPKHFHSA-N 1 3 400.563 3.415 50 0 HGAAHO COCC[N@@H+](Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1)C(C)C ZINC000012191967 558347943 /nfs/dbraw/zinc/34/79/43/558347943.db2.gz XQBFOCULDBNJMN-QHCPKHFHSA-N 1 3 400.563 3.415 50 0 HGAAHO C[NH+](C)CC(C)(C)CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000015069775 558711950 /nfs/dbraw/zinc/71/19/50/558711950.db2.gz JDMICWZZAKOQKV-INIZCTEOSA-N 1 3 409.958 3.127 50 0 HGAAHO CCC(=O)N[C@H]1CCCN(CCCCCCCC[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309141 558772304 /nfs/dbraw/zinc/77/23/04/558772304.db2.gz HIYWXYLCDYSCNM-VXKWHMMOSA-N 1 3 422.658 3.308 50 0 HGAAHO CCC(=O)N[C@H]1CCCN(CCCCCCCC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309141 558772306 /nfs/dbraw/zinc/77/23/06/558772306.db2.gz HIYWXYLCDYSCNM-VXKWHMMOSA-N 1 3 422.658 3.308 50 0 HGAAHO O=C(NCC(F)(F)F)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091873282 559074414 /nfs/dbraw/zinc/07/44/14/559074414.db2.gz ZQHIKRRMCUMPSL-GOSISDBHSA-N 1 3 409.496 3.009 50 0 HGAAHO O[C@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)CN1CCc2ccccc2C1 ZINC000012308019 568464708 /nfs/dbraw/zinc/46/47/08/568464708.db2.gz VBRHNWKGNBLPEP-VWLOTQADSA-N 1 3 417.553 3.212 50 0 HGAAHO O[C@@H](COc1cccc(C[NH2+]CCc2cscn2)c1)CN1CCc2ccccc2C1 ZINC000015074707 568749173 /nfs/dbraw/zinc/74/91/73/568749173.db2.gz WYSLUGMSWRJTEF-HSZRJFAPSA-N 1 3 423.582 3.273 50 0 HGAAHO CC[N@@H+]1CCC[C@H]1CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786158 568875617 /nfs/dbraw/zinc/87/56/17/568875617.db2.gz PKOXLRGRQNVLSL-IRXDYDNUSA-N 1 3 407.942 3.024 50 0 HGAAHO CC[N@H+]1CCC[C@H]1CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786158 568875619 /nfs/dbraw/zinc/87/56/19/568875619.db2.gz PKOXLRGRQNVLSL-IRXDYDNUSA-N 1 3 407.942 3.024 50 0 HGAAHO COCC[N@H+](Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1)C(C)C ZINC000012191973 558347906 /nfs/dbraw/zinc/34/79/06/558347906.db2.gz XQBFOCULDBNJMN-HSZRJFAPSA-N 1 3 400.563 3.415 50 0 HGAAHO COCC[N@@H+](Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1)C(C)C ZINC000012191973 558347907 /nfs/dbraw/zinc/34/79/07/558347907.db2.gz XQBFOCULDBNJMN-HSZRJFAPSA-N 1 3 400.563 3.415 50 0 HGAAHO Cn1cc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000012314141 558377815 /nfs/dbraw/zinc/37/78/15/558377815.db2.gz JIOLPHMDISJHGF-JOCHJYFZSA-N 1 3 400.542 3.452 50 0 HGAAHO Cn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000012314141 558377818 /nfs/dbraw/zinc/37/78/18/558377818.db2.gz JIOLPHMDISJHGF-JOCHJYFZSA-N 1 3 400.542 3.452 50 0 HGAAHO CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000012453749 558416611 /nfs/dbraw/zinc/41/66/11/558416611.db2.gz PDVRWECEFGTLCO-JOCHJYFZSA-N 1 3 416.562 3.083 50 0 HGAAHO CSCCCNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091893819 559074381 /nfs/dbraw/zinc/07/43/81/559074381.db2.gz DXXFZDZNXSQUPT-OAQYLSRUSA-N 1 3 415.647 3.200 50 0 HGAAHO Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000095940800 568661802 /nfs/dbraw/zinc/66/18/02/568661802.db2.gz OQVCTCBLTZPUMO-VWLOTQADSA-N 1 3 419.573 3.464 50 0 HGAAHO Cc1ccc([C@H](CCn2cncn2)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000095940800 568661803 /nfs/dbraw/zinc/66/18/03/568661803.db2.gz OQVCTCBLTZPUMO-VWLOTQADSA-N 1 3 419.573 3.464 50 0 HGAAHO Cc1ccc([C@H](CNC(=O)Cc2cccc(OCC[NH+](C)C)c2)N2CCCC2)cc1 ZINC000170600238 569242951 /nfs/dbraw/zinc/24/29/51/569242951.db2.gz LWMBSXLKEKZQIK-DEOSSOPVSA-N 1 3 409.574 3.431 50 0 HGAAHO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000012302001 558371477 /nfs/dbraw/zinc/37/14/77/558371477.db2.gz FZCZXTGGVBKPBJ-QHCPKHFHSA-N 1 3 412.574 3.451 50 0 HGAAHO CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(C[NH+]4CCCC4)cs3)C2)CC1 ZINC000023358374 558551336 /nfs/dbraw/zinc/55/13/36/558551336.db2.gz FYRMQXSLTFTDAZ-HXUWFJFHSA-N 1 3 420.623 3.082 50 0 HGAAHO CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(C[NH+]4CCCC4)cs3)C2)CC1 ZINC000023358377 558551484 /nfs/dbraw/zinc/55/14/84/558551484.db2.gz FYRMQXSLTFTDAZ-FQEVSTJZSA-N 1 3 420.623 3.082 50 0 HGAAHO CN1CCN(Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000095528488 559086429 /nfs/dbraw/zinc/08/64/29/559086429.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CN1CCN(Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000095528488 559086430 /nfs/dbraw/zinc/08/64/30/559086430.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000011661024 558264783 /nfs/dbraw/zinc/26/47/83/558264783.db2.gz ZLRZPRDLYRWJKN-DEOSSOPVSA-N 1 3 405.542 3.286 50 0 HGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000011661025 558265104 /nfs/dbraw/zinc/26/51/04/558265104.db2.gz ZLRZPRDLYRWJKN-XMMPIXPASA-N 1 3 405.542 3.286 50 0 HGAAHO CN(c1ccccc1)c1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cc1 ZINC000020535356 558386040 /nfs/dbraw/zinc/38/60/40/558386040.db2.gz NDIASWKNTXRLCE-SANMLTNESA-N 1 3 422.617 3.417 50 0 HGAAHO CN(c1ccccc1)c1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cc1 ZINC000020535356 558386045 /nfs/dbraw/zinc/38/60/45/558386045.db2.gz NDIASWKNTXRLCE-SANMLTNESA-N 1 3 422.617 3.417 50 0 HGAAHO O[C@H](COc1ccccc1CNCCc1nc2ccccc2[nH]1)C[NH+]1CCCCC1 ZINC000012434067 558408066 /nfs/dbraw/zinc/40/80/66/558408066.db2.gz DYAGXYLMTUTMKS-FQEVSTJZSA-N 1 3 408.546 3.121 50 0 HGAAHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505907 558560116 /nfs/dbraw/zinc/56/01/16/558560116.db2.gz UONLGUZLAWTBBK-RTWAWAEBSA-N 1 3 421.626 3.153 50 0 HGAAHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505907 558560118 /nfs/dbraw/zinc/56/01/18/558560118.db2.gz UONLGUZLAWTBBK-RTWAWAEBSA-N 1 3 421.626 3.153 50 0 HGAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065001 558707752 /nfs/dbraw/zinc/70/77/52/558707752.db2.gz ZWNDKAMJFBHEGY-OAQYLSRUSA-N 1 3 424.589 3.121 50 0 HGAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065001 558707754 /nfs/dbraw/zinc/70/77/54/558707754.db2.gz ZWNDKAMJFBHEGY-OAQYLSRUSA-N 1 3 424.589 3.121 50 0 HGAAHO O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128881 558882590 /nfs/dbraw/zinc/88/25/90/558882590.db2.gz PGHVVVGCORKLAT-HSZRJFAPSA-N 1 3 406.574 3.369 50 0 HGAAHO C[N@H+](Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997793 559270311 /nfs/dbraw/zinc/27/03/11/559270311.db2.gz KDXKMRRKZUJCJD-DEOSSOPVSA-N 1 3 410.558 3.095 50 0 HGAAHO C[N@@H+](Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997793 559270314 /nfs/dbraw/zinc/27/03/14/559270314.db2.gz KDXKMRRKZUJCJD-DEOSSOPVSA-N 1 3 410.558 3.095 50 0 HGAAHO O=C(NCCN1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000015722090 568881957 /nfs/dbraw/zinc/88/19/57/568881957.db2.gz QQLMVHYURNYWOQ-UHFFFAOYSA-N 1 3 415.969 3.208 50 0 HGAAHO O=C(NCCC[N@H+]1CCCC[C@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000670450096 568925990 /nfs/dbraw/zinc/92/59/90/568925990.db2.gz QBTCXXSIFLMTGW-VWLOTQADSA-N 1 3 421.585 3.212 50 0 HGAAHO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000670450096 568925992 /nfs/dbraw/zinc/92/59/92/568925992.db2.gz QBTCXXSIFLMTGW-VWLOTQADSA-N 1 3 421.585 3.212 50 0 HGAAHO O=C1C[C@H]([NH2+]CC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004784501 557597763 /nfs/dbraw/zinc/59/77/63/557597763.db2.gz SJBAWJOLLCFLJK-NRFANRHFSA-N 1 3 413.468 3.099 50 0 HGAAHO COC(=O)CCCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012301894 558371510 /nfs/dbraw/zinc/37/15/10/558371510.db2.gz CJIQLOZVFBKPGY-OAQYLSRUSA-N 1 3 421.626 3.299 50 0 HGAAHO COC(=O)CCCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012301894 558371513 /nfs/dbraw/zinc/37/15/13/558371513.db2.gz CJIQLOZVFBKPGY-OAQYLSRUSA-N 1 3 421.626 3.299 50 0 HGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCC1(O)CCCCC1)C1CCCCC1 ZINC000012386480 558395395 /nfs/dbraw/zinc/39/53/95/558395395.db2.gz FNDBZKKTYUKRKN-QFIPXVFZSA-N 1 3 404.595 3.476 50 0 HGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCC1(O)CCCCC1)C1CCCCC1 ZINC000012386480 558395398 /nfs/dbraw/zinc/39/53/98/558395398.db2.gz FNDBZKKTYUKRKN-QFIPXVFZSA-N 1 3 404.595 3.476 50 0 HGAAHO CN(C(=O)CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)C1CC[NH+](C)CC1 ZINC000011661952 559127006 /nfs/dbraw/zinc/12/70/06/559127006.db2.gz PTDDOGBFYNNDQJ-IBGZPJMESA-N 1 3 415.578 3.003 50 0 HGAAHO O[C@H](COc1cccc(CNCc2cccnc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000011937826 559268759 /nfs/dbraw/zinc/26/87/59/559268759.db2.gz HHVOYGQPYSNDEE-DEOSSOPVSA-N 1 3 403.526 3.169 50 0 HGAAHO O[C@H](COc1cccc(CNCc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000011937826 559268760 /nfs/dbraw/zinc/26/87/60/559268760.db2.gz HHVOYGQPYSNDEE-DEOSSOPVSA-N 1 3 403.526 3.169 50 0 HGAAHO Cc1nc(CCNCc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)sc1C ZINC000011933669 558298384 /nfs/dbraw/zinc/29/83/84/558298384.db2.gz XRNBMVYSKVBUSB-HXUWFJFHSA-N 1 3 403.592 3.318 50 0 HGAAHO CSC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012000026 558308220 /nfs/dbraw/zinc/30/82/20/558308220.db2.gz CYBLSQUNUXPBSX-HNNXBMFYSA-N 1 3 414.015 3.226 50 0 HGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000012076411 558320130 /nfs/dbraw/zinc/32/01/30/558320130.db2.gz DBQRMWDOYJHGMJ-HSZRJFAPSA-N 1 3 412.574 3.343 50 0 HGAAHO O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000015065065 558708061 /nfs/dbraw/zinc/70/80/61/558708061.db2.gz SFYKTZPDFOFJOO-XMMPIXPASA-N 1 3 406.574 3.465 50 0 HGAAHO O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128882 558882705 /nfs/dbraw/zinc/88/27/05/558882705.db2.gz PGHVVVGCORKLAT-QHCPKHFHSA-N 1 3 406.574 3.369 50 0 HGAAHO O=C(N[C@H]1CCCOC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082097693 559037765 /nfs/dbraw/zinc/03/77/65/559037765.db2.gz AKBFLABANLDKBF-QHCPKHFHSA-N 1 3 413.606 3.091 50 0 HGAAHO O=C(NCC(F)(F)F)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091873279 559074327 /nfs/dbraw/zinc/07/43/27/559074327.db2.gz ZQHIKRRMCUMPSL-SFHVURJKSA-N 1 3 409.496 3.009 50 0 HGAAHO O=C1C[C@@H]([NH2+]CC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100218694 559132154 /nfs/dbraw/zinc/13/21/54/559132154.db2.gz SJBAWJOLLCFLJK-OAQYLSRUSA-N 1 3 413.468 3.099 50 0 HGAAHO CN1CCN(Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC1(C)C ZINC000108265047 559167132 /nfs/dbraw/zinc/16/71/32/559167132.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CN1CCN(Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000108265047 559167134 /nfs/dbraw/zinc/16/71/34/559167134.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 1 3 403.611 3.217 50 0 HGAAHO COCC1CC[NH+](Cc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000012750287 568940222 /nfs/dbraw/zinc/94/02/22/568940222.db2.gz HKUDDLQYVXJWRU-RUZDIDTESA-N 1 3 424.585 3.343 50 0 HGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCC1(O)CCCCC1)C1CCCCC1 ZINC000012386479 558395275 /nfs/dbraw/zinc/39/52/75/558395275.db2.gz FNDBZKKTYUKRKN-JOCHJYFZSA-N 1 3 404.595 3.476 50 0 HGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCC1(O)CCCCC1)C1CCCCC1 ZINC000012386479 558395279 /nfs/dbraw/zinc/39/52/79/558395279.db2.gz FNDBZKKTYUKRKN-JOCHJYFZSA-N 1 3 404.595 3.476 50 0 HGAAHO CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012574329 558430417 /nfs/dbraw/zinc/43/04/17/558430417.db2.gz CUMGLYJNEVRSBM-QHCPKHFHSA-N 1 3 414.594 3.099 50 0 HGAAHO CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012574329 558430420 /nfs/dbraw/zinc/43/04/20/558430420.db2.gz CUMGLYJNEVRSBM-QHCPKHFHSA-N 1 3 414.594 3.099 50 0 HGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCOc1cccnc1)C1CCCCC1 ZINC000015072409 558713803 /nfs/dbraw/zinc/71/38/03/558713803.db2.gz RHCXDJYXBHZSNP-JOCHJYFZSA-N 1 3 413.562 3.254 50 0 HGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCOc1cccnc1)C1CCCCC1 ZINC000015072409 558713805 /nfs/dbraw/zinc/71/38/05/558713805.db2.gz RHCXDJYXBHZSNP-JOCHJYFZSA-N 1 3 413.562 3.254 50 0 HGAAHO COc1cc(OC)cc(C(=O)NCCCN(C)CCC[N@H+](C)Cc2ccccc2)c1 ZINC000059181912 558932286 /nfs/dbraw/zinc/93/22/86/558932286.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 1 3 413.562 3.278 50 0 HGAAHO COc1cc(OC)cc(C(=O)NCCCN(C)CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000059181912 558932288 /nfs/dbraw/zinc/93/22/88/558932288.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 1 3 413.562 3.278 50 0 HGAAHO COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000015066582 568749052 /nfs/dbraw/zinc/74/90/52/568749052.db2.gz PIHJJVKQLMVJMO-JOCHJYFZSA-N 1 3 420.594 3.169 50 0 HGAAHO COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000015066582 568749055 /nfs/dbraw/zinc/74/90/55/568749055.db2.gz PIHJJVKQLMVJMO-JOCHJYFZSA-N 1 3 420.594 3.169 50 0 HGAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012298392 558368494 /nfs/dbraw/zinc/36/84/94/558368494.db2.gz HDYIRPYELWSIEC-DEOSSOPVSA-N 1 3 423.605 3.465 50 0 HGAAHO COC(=O)CCCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012301895 558371493 /nfs/dbraw/zinc/37/14/93/558371493.db2.gz CJIQLOZVFBKPGY-NRFANRHFSA-N 1 3 421.626 3.299 50 0 HGAAHO COC(=O)CCCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012301895 558371496 /nfs/dbraw/zinc/37/14/96/558371496.db2.gz CJIQLOZVFBKPGY-NRFANRHFSA-N 1 3 421.626 3.299 50 0 HGAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000012320814 558382519 /nfs/dbraw/zinc/38/25/19/558382519.db2.gz PMGALUIDRCRBQE-QFIPXVFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000012320814 558382522 /nfs/dbraw/zinc/38/25/22/558382522.db2.gz PMGALUIDRCRBQE-QFIPXVFZSA-N 1 3 423.605 3.465 50 0 HGAAHO Cc1n[nH]c(C)c1CCNCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012478303 558423214 /nfs/dbraw/zinc/42/32/14/558423214.db2.gz XBXPBXMKECDDQO-JOCHJYFZSA-N 1 3 414.594 3.363 50 0 HGAAHO Cc1n[nH]c(C)c1CCNCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012478303 558423218 /nfs/dbraw/zinc/42/32/18/558423218.db2.gz XBXPBXMKECDDQO-JOCHJYFZSA-N 1 3 414.594 3.363 50 0 HGAAHO Cc1cc(CNC(=O)C2CCN(C3CC[NH+](CCCc4ccccc4)CC3)CC2)on1 ZINC000023398075 558556750 /nfs/dbraw/zinc/55/67/50/558556750.db2.gz HHZKQEQKYGLZAY-UHFFFAOYSA-N 1 3 424.589 3.408 50 0 HGAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000014744865 558668746 /nfs/dbraw/zinc/66/87/46/558668746.db2.gz GUOPZXQUXVINBP-UHFFFAOYSA-N 1 3 414.575 3.082 50 0 HGAAHO COC1CC[NH+](Cc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000014964469 558685373 /nfs/dbraw/zinc/68/53/73/558685373.db2.gz BARYESJIWULGLU-HSZRJFAPSA-N 1 3 410.558 3.095 50 0 HGAAHO O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129029 558882897 /nfs/dbraw/zinc/88/28/97/558882897.db2.gz XAFIVHOZYPAJRV-UHFFFAOYSA-N 1 3 406.574 3.369 50 0 HGAAHO O=C(N[C@@H]1CCSC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082114858 559038991 /nfs/dbraw/zinc/03/89/91/559038991.db2.gz LZJKSGJGYUUBOV-JOCHJYFZSA-N 1 3 415.647 3.417 50 0 HGAAHO Cn1cccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095505358 559083089 /nfs/dbraw/zinc/08/30/89/559083089.db2.gz CCDJGBWSWWIBGT-LJQANCHMSA-N 1 3 400.542 3.080 50 0 HGAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012002005 559270714 /nfs/dbraw/zinc/27/07/14/559270714.db2.gz CZQOAGSNSGKIJA-QHCPKHFHSA-N 1 3 414.594 3.238 50 0 HGAAHO CN(c1ccccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CCN(C)CC1 ZINC000241930335 568731977 /nfs/dbraw/zinc/73/19/77/568731977.db2.gz UHUSFBYJTCVOCW-UHFFFAOYSA-N 1 3 410.562 3.204 50 0 HGAAHO CCCC[NH+](CCCC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000006876737 569163627 /nfs/dbraw/zinc/16/36/27/569163627.db2.gz JJKXAYDDFRVWPY-UHFFFAOYSA-N 1 3 407.599 3.123 50 0 biogenic HGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000011821115 558284560 /nfs/dbraw/zinc/28/45/60/558284560.db2.gz XKUNAGSZHQOAQL-QHCPKHFHSA-N 1 3 421.541 3.122 50 0 HGAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000020727311 558405214 /nfs/dbraw/zinc/40/52/14/558405214.db2.gz LFTNETGJQGUHIA-UHFFFAOYSA-N 1 3 401.620 3.247 50 0 HGAAHO CCN1CCC[C@H]1CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012585561 558433883 /nfs/dbraw/zinc/43/38/83/558433883.db2.gz WXXLUTNSXAPKRQ-IBGZPJMESA-N 1 3 403.567 3.161 50 0 HGAAHO O=C(NC[C@H]1CCCO1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012587745 558434641 /nfs/dbraw/zinc/43/46/41/558434641.db2.gz PENNIXJORYPNNF-XMMPIXPASA-N 1 3 413.606 3.091 50 0 HGAAHO CC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc43)C2)CC1 ZINC000023362914 558552482 /nfs/dbraw/zinc/55/24/82/558552482.db2.gz NEBKXUILVUADMW-NOZRDPDXSA-N 1 3 422.617 3.381 50 0 HGAAHO CN(C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014755469 558671837 /nfs/dbraw/zinc/67/18/37/558671837.db2.gz WYQRVLAHTPLTTH-LEWJYISDSA-N 1 3 413.537 3.021 50 0 HGAAHO CN(C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014755469 558671839 /nfs/dbraw/zinc/67/18/39/558671839.db2.gz WYQRVLAHTPLTTH-LEWJYISDSA-N 1 3 413.537 3.021 50 0 HGAAHO CN1CCN(Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000108274924 559167121 /nfs/dbraw/zinc/16/71/21/559167121.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CN1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000108274924 559167122 /nfs/dbraw/zinc/16/71/22/559167122.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000011821047 559260560 /nfs/dbraw/zinc/26/05/60/559260560.db2.gz DBVRIODBEAILPM-QFIPXVFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000011821047 559260562 /nfs/dbraw/zinc/26/05/62/559260562.db2.gz DBVRIODBEAILPM-QFIPXVFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC(F)(F)F ZINC000011661580 558265573 /nfs/dbraw/zinc/26/55/73/558265573.db2.gz NGWFSXRHDUXMPD-SFHVURJKSA-N 1 3 407.521 3.000 50 0 HGAAHO CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1)C1CCN(C)CC1 ZINC000011711478 558271378 /nfs/dbraw/zinc/27/13/78/558271378.db2.gz MPIBMCVQFIUJCO-OAQYLSRUSA-N 1 3 423.605 3.417 50 0 HGAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)C1CCN(C)CC1 ZINC000011711478 558271380 /nfs/dbraw/zinc/27/13/80/558271380.db2.gz MPIBMCVQFIUJCO-OAQYLSRUSA-N 1 3 423.605 3.417 50 0 HGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCCn1cccn1)C1CCCCC1 ZINC000012570941 558429019 /nfs/dbraw/zinc/42/90/19/558429019.db2.gz UGUMGTYJWYXGAO-QFIPXVFZSA-N 1 3 400.567 3.067 50 0 HGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCCn1cccn1)C1CCCCC1 ZINC000012570941 558429021 /nfs/dbraw/zinc/42/90/21/558429021.db2.gz UGUMGTYJWYXGAO-QFIPXVFZSA-N 1 3 400.567 3.067 50 0 HGAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012571228 558429093 /nfs/dbraw/zinc/42/90/93/558429093.db2.gz NIYOVWGDVQIZKQ-OAQYLSRUSA-N 1 3 420.594 3.310 50 0 HGAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012571228 558429096 /nfs/dbraw/zinc/42/90/96/558429096.db2.gz NIYOVWGDVQIZKQ-OAQYLSRUSA-N 1 3 420.594 3.310 50 0 HGAAHO COCC1CC[NH+](Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000012762850 558461285 /nfs/dbraw/zinc/46/12/85/558461285.db2.gz VRDOOSDBTRQNTD-DEOSSOPVSA-N 1 3 412.574 3.417 50 0 HGAAHO O=C(NC1CCOCC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082107169 559038445 /nfs/dbraw/zinc/03/84/45/559038445.db2.gz LVDRGPNYZHIUES-UHFFFAOYSA-N 1 3 413.606 3.091 50 0 HGAAHO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCN3CCCCC3)CC1)cn2C ZINC000035457809 569037789 /nfs/dbraw/zinc/03/77/89/569037789.db2.gz JXKIELUJWYGZBC-UHFFFAOYSA-N 1 3 412.578 3.001 50 0 HGAAHO O=C(NCc1ccco1)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011816659 558280025 /nfs/dbraw/zinc/28/00/25/558280025.db2.gz YRHDHHNMVDMXQF-OAQYLSRUSA-N 1 3 407.558 3.240 50 0 HGAAHO O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011840124 558286466 /nfs/dbraw/zinc/28/64/66/558286466.db2.gz WPGUPEGGMLHOTQ-DEOSSOPVSA-N 1 3 423.605 3.156 50 0 HGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCc1cscn1)C1CCCCC1 ZINC000012573939 558430396 /nfs/dbraw/zinc/43/03/96/558430396.db2.gz IOAKMWIUHWLYLI-NRFANRHFSA-N 1 3 403.592 3.480 50 0 HGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCc1cscn1)C1CCCCC1 ZINC000012573939 558430397 /nfs/dbraw/zinc/43/03/97/558430397.db2.gz IOAKMWIUHWLYLI-NRFANRHFSA-N 1 3 403.592 3.480 50 0 HGAAHO COCC1CC[NH+](Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000012762855 558461403 /nfs/dbraw/zinc/46/14/03/558461403.db2.gz VRDOOSDBTRQNTD-XMMPIXPASA-N 1 3 412.574 3.417 50 0 HGAAHO COCC1CC[NH+](Cc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000012750282 568940133 /nfs/dbraw/zinc/94/01/33/568940133.db2.gz HKUDDLQYVXJWRU-VWLOTQADSA-N 1 3 424.585 3.343 50 0 HGAAHO COc1cc(CN(C)CCOc2ccccc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012019845 558309174 /nfs/dbraw/zinc/30/91/74/558309174.db2.gz NOSNVOHXEFWSBT-OAQYLSRUSA-N 1 3 416.562 3.286 50 0 HGAAHO COc1cc(CN(C)CCOc2ccccc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012019845 558309177 /nfs/dbraw/zinc/30/91/77/558309177.db2.gz NOSNVOHXEFWSBT-OAQYLSRUSA-N 1 3 416.562 3.286 50 0 HGAAHO CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000012453747 558416573 /nfs/dbraw/zinc/41/65/73/558416573.db2.gz PDVRWECEFGTLCO-QFIPXVFZSA-N 1 3 416.562 3.083 50 0 HGAAHO CCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012585555 558433895 /nfs/dbraw/zinc/43/38/95/558433895.db2.gz WXXLUTNSXAPKRQ-LJQANCHMSA-N 1 3 403.567 3.161 50 0 HGAAHO COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)Cc2nccs2)C1 ZINC000039557988 558822382 /nfs/dbraw/zinc/82/23/82/558822382.db2.gz NFZUAMXZLWNTRY-LJQANCHMSA-N 1 3 402.608 3.428 50 0 HGAAHO COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000015066581 568749076 /nfs/dbraw/zinc/74/90/76/568749076.db2.gz PIHJJVKQLMVJMO-QFIPXVFZSA-N 1 3 420.594 3.169 50 0 HGAAHO COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000015066581 568749078 /nfs/dbraw/zinc/74/90/78/568749078.db2.gz PIHJJVKQLMVJMO-QFIPXVFZSA-N 1 3 420.594 3.169 50 0 HGAAHO CCC(=O)N[C@@H]1CCCN(CCCCCCCC[N@@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000229381963 569040407 /nfs/dbraw/zinc/04/04/07/569040407.db2.gz HIYWXYLCDYSCNM-FGZHOGPDSA-N 1 3 422.658 3.308 50 0 HGAAHO CCC(=O)N[C@@H]1CCCN(CCCCCCCC[N@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000229381963 569040408 /nfs/dbraw/zinc/04/04/08/569040408.db2.gz HIYWXYLCDYSCNM-FGZHOGPDSA-N 1 3 422.658 3.308 50 0 HGAAHO C[N@H+](CCNC(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000169790719 569178064 /nfs/dbraw/zinc/17/80/64/569178064.db2.gz HDQJVGXUWRPEFB-HSZRJFAPSA-N 1 3 421.589 3.227 50 0 HGAAHO C[N@@H+](CCNC(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000169790719 569178065 /nfs/dbraw/zinc/17/80/65/569178065.db2.gz HDQJVGXUWRPEFB-HSZRJFAPSA-N 1 3 421.589 3.227 50 0 HGAAHO COc1ccc2[nH]c(C[NH+]3CCC(CCC(=O)NCCN(C)C)CC3)c(C)c2c1 ZINC000012314123 558377497 /nfs/dbraw/zinc/37/74/97/558377497.db2.gz CIIBMPQEPIILMP-UHFFFAOYSA-N 1 3 400.567 3.155 50 0 HGAAHO Cn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000012314140 558377827 /nfs/dbraw/zinc/37/78/27/558377827.db2.gz JIOLPHMDISJHGF-QFIPXVFZSA-N 1 3 400.542 3.452 50 0 HGAAHO Cn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000012314140 558377829 /nfs/dbraw/zinc/37/78/29/558377829.db2.gz JIOLPHMDISJHGF-QFIPXVFZSA-N 1 3 400.542 3.452 50 0 HGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCc1cscn1)C1CCCCC1 ZINC000012573933 558430328 /nfs/dbraw/zinc/43/03/28/558430328.db2.gz IOAKMWIUHWLYLI-OAQYLSRUSA-N 1 3 403.592 3.480 50 0 HGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCc1cscn1)C1CCCCC1 ZINC000012573933 558430331 /nfs/dbraw/zinc/43/03/31/558430331.db2.gz IOAKMWIUHWLYLI-OAQYLSRUSA-N 1 3 403.592 3.480 50 0 HGAAHO Cn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000015069807 558711873 /nfs/dbraw/zinc/71/18/73/558711873.db2.gz SKZSXZNLOLIBTC-VWLOTQADSA-N 1 3 408.590 3.281 50 0 HGAAHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000072309906 558778694 /nfs/dbraw/zinc/77/86/94/558778694.db2.gz HALCJLHCZAFPJQ-UHFFFAOYSA-N 1 3 423.605 3.031 50 0 HGAAHO COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@@H](O)CN1CCCC1 ZINC000015061832 568748986 /nfs/dbraw/zinc/74/89/86/568748986.db2.gz FOKOMHFUPXMYRN-NRFANRHFSA-N 1 3 402.510 3.002 50 0 HGAAHO CN(c1ccccc1)c1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000104513691 569008829 /nfs/dbraw/zinc/00/88/29/569008829.db2.gz NDIASWKNTXRLCE-AREMUKBSSA-N 1 3 422.617 3.417 50 0 HGAAHO CN(c1ccccc1)c1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000104513691 569008830 /nfs/dbraw/zinc/00/88/30/569008830.db2.gz NDIASWKNTXRLCE-AREMUKBSSA-N 1 3 422.617 3.417 50 0 HGAAHO CCn1ccnc1CN(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2OC)C1 ZINC000020537236 523523771 /nfs/dbraw/zinc/52/37/71/523523771.db2.gz CVKZFFMTMYOZDX-OAQYLSRUSA-N 1 3 413.610 3.187 50 0 HGAAHO CCN1CCC([N@H+](CCOC)CC2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000011812804 558277691 /nfs/dbraw/zinc/27/76/91/558277691.db2.gz FTSPIZKCQDUILB-UHFFFAOYSA-N 1 3 403.611 3.340 50 0 HGAAHO CCN1CCC([N@@H+](CCOC)CC2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000011812804 558277693 /nfs/dbraw/zinc/27/76/93/558277693.db2.gz FTSPIZKCQDUILB-UHFFFAOYSA-N 1 3 403.611 3.340 50 0 HGAAHO CN(Cc1cc[nH]n1)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012301025 558370834 /nfs/dbraw/zinc/37/08/34/558370834.db2.gz QUMOTUGHUPXFAY-UHFFFAOYSA-N 1 3 423.605 3.177 50 0 HGAAHO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC1)=CC2 ZINC000019300348 558866201 /nfs/dbraw/zinc/86/62/01/558866201.db2.gz DAIXNKKKFMNSFS-GMAHTHKFSA-N 1 3 415.622 3.014 50 0 HGAAHO CN1CCCN(c2ccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cn2)CC1 ZINC000058393803 558923978 /nfs/dbraw/zinc/92/39/78/558923978.db2.gz CWJYHKYBBJFDIA-UHFFFAOYSA-N 1 3 421.589 3.139 50 0 HGAAHO COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@H](O)CN1CCCC1 ZINC000015061834 568748990 /nfs/dbraw/zinc/74/89/90/568748990.db2.gz FOKOMHFUPXMYRN-OAQYLSRUSA-N 1 3 402.510 3.002 50 0 HGAAHO O[C@H](COc1cccc(C[NH2+]CCc2cscn2)c1)CN1CCc2ccccc2C1 ZINC000015074708 568749306 /nfs/dbraw/zinc/74/93/06/568749306.db2.gz WYSLUGMSWRJTEF-QHCPKHFHSA-N 1 3 423.582 3.273 50 0 HGAAHO Cc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c2ccccc2n1 ZINC000299783818 568875394 /nfs/dbraw/zinc/87/53/94/568875394.db2.gz VBQPOYXPYIACOO-OAQYLSRUSA-N 1 3 422.573 3.305 50 0 HGAAHO C[NH+](C)CCSCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000083851138 568919745 /nfs/dbraw/zinc/91/97/45/568919745.db2.gz KJAPETZJLBSHBF-UHFFFAOYSA-N 1 3 412.603 3.242 50 0 HGAAHO CN1CC[N@H+](CCCNCc2csc(-c3ncccn3)n2)[C@@H](c2ccccc2)C1 ZINC000229499376 569040556 /nfs/dbraw/zinc/04/05/56/569040556.db2.gz LBIUZDZNVAJWBL-HXUWFJFHSA-N 1 3 408.575 3.069 50 0 HGAAHO CN1CC[N@@H+](CCCNCc2csc(-c3ncccn3)n2)[C@@H](c2ccccc2)C1 ZINC000229499376 569040557 /nfs/dbraw/zinc/04/05/57/569040557.db2.gz LBIUZDZNVAJWBL-HXUWFJFHSA-N 1 3 408.575 3.069 50 0 HGAAHO CN1CCN(CC[NH2+][C@@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484667 569289147 /nfs/dbraw/zinc/28/91/47/569289147.db2.gz GDZFPBFYBQNEBB-UXHICEINSA-N 1 3 408.631 3.170 50 0 HGAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314434 /nfs/dbraw/zinc/31/44/34/558314434.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 1 3 412.574 3.453 50 0 HGAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314436 /nfs/dbraw/zinc/31/44/36/558314436.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 1 3 412.574 3.453 50 0 HGAAHO COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000014955129 558682213 /nfs/dbraw/zinc/68/22/13/558682213.db2.gz JDZDILWHUDRNRR-NRFANRHFSA-N 1 3 416.562 3.082 50 0 HGAAHO Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095523163 559085636 /nfs/dbraw/zinc/08/56/36/559085636.db2.gz WSAFDODFUAIMJU-IBGZPJMESA-N 1 3 400.542 3.378 50 0 HGAAHO CN(C(=O)CC[C@@H]1CCCN(Cc2cccn2-c2ccccn2)C1)C1CC[NH+](C)CC1 ZINC000011938135 558301514 /nfs/dbraw/zinc/30/15/14/558301514.db2.gz IFKFWHWHGROVET-NRFANRHFSA-N 1 3 423.605 3.417 50 0 HGAAHO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000012302003 558371559 /nfs/dbraw/zinc/37/15/59/558371559.db2.gz FZCZXTGGVBKPBJ-HSZRJFAPSA-N 1 3 412.574 3.451 50 0 HGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981211 558691710 /nfs/dbraw/zinc/69/17/10/558691710.db2.gz OYXGPRHOAMTEQR-INIZCTEOSA-N 1 3 403.464 3.380 50 0 HGAAHO CN(C)CCN(C)C(=O)c1cccc(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000015062747 558705657 /nfs/dbraw/zinc/70/56/57/558705657.db2.gz FFLDEQOOXJLXGE-UHFFFAOYSA-N 1 3 421.585 3.331 50 0 HGAAHO COCCCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000015063725 558706500 /nfs/dbraw/zinc/70/65/00/558706500.db2.gz GKFKRIVXKUPEPM-QFIPXVFZSA-N 1 3 422.610 3.414 50 0 HGAAHO COCCCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000015063725 558706503 /nfs/dbraw/zinc/70/65/03/558706503.db2.gz GKFKRIVXKUPEPM-QFIPXVFZSA-N 1 3 422.610 3.414 50 0 HGAAHO COCCCC1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000015063726 558706521 /nfs/dbraw/zinc/70/65/21/558706521.db2.gz GKFKRIVXKUPEPM-JOCHJYFZSA-N 1 3 422.610 3.414 50 0 HGAAHO COCCCC1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000015063726 558706524 /nfs/dbraw/zinc/70/65/24/558706524.db2.gz GKFKRIVXKUPEPM-JOCHJYFZSA-N 1 3 422.610 3.414 50 0 HGAAHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518440 558821965 /nfs/dbraw/zinc/82/19/65/558821965.db2.gz UONLGUZLAWTBBK-LEWJYISDSA-N 1 3 421.626 3.153 50 0 HGAAHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518440 558821967 /nfs/dbraw/zinc/82/19/67/558821967.db2.gz UONLGUZLAWTBBK-LEWJYISDSA-N 1 3 421.626 3.153 50 0 HGAAHO Cn1cccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095505359 559083009 /nfs/dbraw/zinc/08/30/09/559083009.db2.gz CCDJGBWSWWIBGT-IBGZPJMESA-N 1 3 400.542 3.080 50 0 HGAAHO O[C@@H](COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1)CN1CCCCC1 ZINC000095524403 559085770 /nfs/dbraw/zinc/08/57/70/559085770.db2.gz DPQTXRVADPEQIG-JOCHJYFZSA-N 1 3 402.579 3.305 50 0 HGAAHO O[C@@H](COc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1)CN1CCCCC1 ZINC000095524403 559085771 /nfs/dbraw/zinc/08/57/71/559085771.db2.gz DPQTXRVADPEQIG-JOCHJYFZSA-N 1 3 402.579 3.305 50 0 HGAAHO CN1CCN(CC[NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484669 559277390 /nfs/dbraw/zinc/27/73/90/559277390.db2.gz GDZFPBFYBQNEBB-WOJBJXKFSA-N 1 3 408.631 3.170 50 0 HGAAHO C[N@H+](CCNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000169789765 569177953 /nfs/dbraw/zinc/17/79/53/569177953.db2.gz YTPFRKZRHRFDAN-HSZRJFAPSA-N 1 3 421.589 3.227 50 0 HGAAHO C[N@@H+](CCNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000169789765 569177954 /nfs/dbraw/zinc/17/79/54/569177954.db2.gz YTPFRKZRHRFDAN-HSZRJFAPSA-N 1 3 421.589 3.227 50 0 HGAAHO O[C@@H](COc1ccccc1CNCCc1nc2ccccc2[nH]1)C[NH+]1CCCCC1 ZINC000012434066 558408104 /nfs/dbraw/zinc/40/81/04/558408104.db2.gz DYAGXYLMTUTMKS-HXUWFJFHSA-N 1 3 408.546 3.121 50 0 HGAAHO CSCCC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000012458916 558418476 /nfs/dbraw/zinc/41/84/76/558418476.db2.gz MAQHLISGUXEGDJ-JOCHJYFZSA-N 1 3 400.588 3.327 50 0 HGAAHO O=C(NC[C@@H]1CCCO1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012587738 558434625 /nfs/dbraw/zinc/43/46/25/558434625.db2.gz PENNIXJORYPNNF-DEOSSOPVSA-N 1 3 413.606 3.091 50 0 HGAAHO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012712398 558453268 /nfs/dbraw/zinc/45/32/68/558453268.db2.gz NRDUNUNIHYZFRW-JOCHJYFZSA-N 1 3 420.594 3.094 50 0 HGAAHO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C3CCSCC3)CC2)CC1 ZINC000023367582 558552818 /nfs/dbraw/zinc/55/28/18/558552818.db2.gz HQLLWTKSWOEFJE-UHFFFAOYSA-N 1 3 415.647 3.417 50 0 HGAAHO O=C(NCC(F)(F)F)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082107304 559038448 /nfs/dbraw/zinc/03/84/48/559038448.db2.gz FLYNQUNCZSCQRF-UHFFFAOYSA-N 1 3 411.512 3.474 50 0 HGAAHO CCn1ccnc1CN(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2OC)C1 ZINC000020537238 523523988 /nfs/dbraw/zinc/52/39/88/523523988.db2.gz CVKZFFMTMYOZDX-NRFANRHFSA-N 1 3 413.610 3.187 50 0 HGAAHO Cc1nc(CCNCc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)sc1C ZINC000011933668 558298164 /nfs/dbraw/zinc/29/81/64/558298164.db2.gz XRNBMVYSKVBUSB-FQEVSTJZSA-N 1 3 403.592 3.318 50 0 HGAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012298391 558368440 /nfs/dbraw/zinc/36/84/40/558368440.db2.gz HDYIRPYELWSIEC-XMMPIXPASA-N 1 3 423.605 3.465 50 0 HGAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065002 558707704 /nfs/dbraw/zinc/70/77/04/558707704.db2.gz ZWNDKAMJFBHEGY-NRFANRHFSA-N 1 3 424.589 3.121 50 0 HGAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065002 558707706 /nfs/dbraw/zinc/70/77/06/558707706.db2.gz ZWNDKAMJFBHEGY-NRFANRHFSA-N 1 3 424.589 3.121 50 0 HGAAHO Cn1ccnc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510597 559083727 /nfs/dbraw/zinc/08/37/27/559083727.db2.gz UGPNVTOGBQTYKG-HXUWFJFHSA-N 1 3 401.599 3.003 50 0 HGAAHO Cn1ccnc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095510597 559083729 /nfs/dbraw/zinc/08/37/29/559083729.db2.gz UGPNVTOGBQTYKG-HXUWFJFHSA-N 1 3 401.599 3.003 50 0 HGAAHO C[N@H+](Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997796 559270276 /nfs/dbraw/zinc/27/02/76/559270276.db2.gz KDXKMRRKZUJCJD-XMMPIXPASA-N 1 3 410.558 3.095 50 0 HGAAHO C[N@@H+](Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997796 559270278 /nfs/dbraw/zinc/27/02/78/559270278.db2.gz KDXKMRRKZUJCJD-XMMPIXPASA-N 1 3 410.558 3.095 50 0 HGAAHO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)CC1 ZINC000019841618 558294406 /nfs/dbraw/zinc/29/44/06/558294406.db2.gz CNPRHXIYNGDXEA-QFIPXVFZSA-N 1 3 417.981 3.007 50 0 HGAAHO CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000012458915 558418599 /nfs/dbraw/zinc/41/85/99/558418599.db2.gz MAQHLISGUXEGDJ-QFIPXVFZSA-N 1 3 400.588 3.327 50 0 HGAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2ccc(OC)cc2)ccc1OC ZINC000012712162 558453318 /nfs/dbraw/zinc/45/33/18/558453318.db2.gz VJGKAKJIWAWNRV-FQEVSTJZSA-N 1 3 402.535 3.075 50 0 HGAAHO C[NH+](C)CC(C)(C)CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000015069773 558711933 /nfs/dbraw/zinc/71/19/33/558711933.db2.gz JDMICWZZAKOQKV-MRXNPFEDSA-N 1 3 409.958 3.127 50 0 HGAAHO CSCCNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015074820 558715292 /nfs/dbraw/zinc/71/52/92/558715292.db2.gz YKPBVQXIFJNWKZ-UHFFFAOYSA-N 1 3 403.636 3.275 50 0 HGAAHO COc1ccc(CNCCOC(C)C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015079724 568750069 /nfs/dbraw/zinc/75/00/69/568750069.db2.gz SMSIOQVABUKJHT-OAQYLSRUSA-N 1 3 408.583 3.216 50 0 HGAAHO CN(C)Cc1ccc([C@H]2CC[C@H](c3ccc(C[NH+](C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000006378963 557700566 /nfs/dbraw/zinc/70/05/66/557700566.db2.gz VTXHMPQMXJZLNG-QZTJIDSGSA-N 1 3 411.472 3.433 50 0 HGAAHO CC[NH+]1CCC(N[C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc4ccccc4c3)C2)CC1 ZINC000020910759 558422098 /nfs/dbraw/zinc/42/20/98/558422098.db2.gz UOGHEPQIELAUSZ-DQEYMECFSA-N 1 3 422.617 3.381 50 0 HGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCCn1cccn1)C1CCCCC1 ZINC000012570935 558429012 /nfs/dbraw/zinc/42/90/12/558429012.db2.gz UGUMGTYJWYXGAO-JOCHJYFZSA-N 1 3 400.567 3.067 50 0 HGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCCn1cccn1)C1CCCCC1 ZINC000012570935 558429013 /nfs/dbraw/zinc/42/90/13/558429013.db2.gz UGUMGTYJWYXGAO-JOCHJYFZSA-N 1 3 400.567 3.067 50 0 HGAAHO COc1ccc(CNCCOC(C)C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015079721 568750080 /nfs/dbraw/zinc/75/00/80/568750080.db2.gz SMSIOQVABUKJHT-NRFANRHFSA-N 1 3 408.583 3.216 50 0 HGAAHO Cc1ccc([C@@H](CNC(=O)Cc2cccc(OCC[NH+](C)C)c2)N2CCCC2)cc1 ZINC000170600237 569243010 /nfs/dbraw/zinc/24/30/10/569243010.db2.gz LWMBSXLKEKZQIK-XMMPIXPASA-N 1 3 409.574 3.431 50 0 HGAAHO C[NH+]1CCC(CN(CCc2ccccc2)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000095507492 559083329 /nfs/dbraw/zinc/08/33/29/559083329.db2.gz MRKSOMPPZYHOKL-UHFFFAOYSA-N 1 3 400.588 3.477 50 0 HGAAHO CN(C(=O)CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)C1CC[NH+](C)CC1 ZINC000011661953 559126998 /nfs/dbraw/zinc/12/69/98/559126998.db2.gz PTDDOGBFYNNDQJ-LJQANCHMSA-N 1 3 415.578 3.003 50 0 HGAAHO COc1cc(CNCC(C)(C)OC)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015078811 568749964 /nfs/dbraw/zinc/74/99/64/568749964.db2.gz YGYOJZZGZUCZIQ-FQEVSTJZSA-N 1 3 408.583 3.216 50 0 HGAAHO COc1cc(CNCC(C)(C)OC)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015078813 568749989 /nfs/dbraw/zinc/74/99/89/568749989.db2.gz YGYOJZZGZUCZIQ-HXUWFJFHSA-N 1 3 408.583 3.216 50 0 HGAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC(F)(F)F ZINC000011661579 558265588 /nfs/dbraw/zinc/26/55/88/558265588.db2.gz NGWFSXRHDUXMPD-GOSISDBHSA-N 1 3 407.521 3.000 50 0 HGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000011668221 558270033 /nfs/dbraw/zinc/27/00/33/558270033.db2.gz TXWAESPHDVWJLF-XMMPIXPASA-N 1 3 405.542 3.286 50 0 HGAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012571225 558429079 /nfs/dbraw/zinc/42/90/79/558429079.db2.gz NIYOVWGDVQIZKQ-NRFANRHFSA-N 1 3 420.594 3.310 50 0 HGAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012571225 558429083 /nfs/dbraw/zinc/42/90/83/558429083.db2.gz NIYOVWGDVQIZKQ-NRFANRHFSA-N 1 3 420.594 3.310 50 0 HGAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000023373483 558553656 /nfs/dbraw/zinc/55/36/56/558553656.db2.gz ITIBVDKDQXCLAP-VWLOTQADSA-N 1 3 423.601 3.228 50 0 HGAAHO CN1CCC([N@H+]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000023373483 558553659 /nfs/dbraw/zinc/55/36/59/558553659.db2.gz ITIBVDKDQXCLAP-VWLOTQADSA-N 1 3 423.601 3.228 50 0 HGAAHO Cn1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000015069809 558711858 /nfs/dbraw/zinc/71/18/58/558711858.db2.gz SKZSXZNLOLIBTC-RUZDIDTESA-N 1 3 408.590 3.281 50 0 HGAAHO O=C(N[C@@H]1CCCOC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082097692 559037686 /nfs/dbraw/zinc/03/76/86/559037686.db2.gz AKBFLABANLDKBF-HSZRJFAPSA-N 1 3 413.606 3.091 50 0 HGAAHO O=C(N[C@H]1CCSC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082114860 559038970 /nfs/dbraw/zinc/03/89/70/559038970.db2.gz LZJKSGJGYUUBOV-QFIPXVFZSA-N 1 3 415.647 3.417 50 0 HGAAHO CSCCCNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091893821 559074373 /nfs/dbraw/zinc/07/43/73/559074373.db2.gz DXXFZDZNXSQUPT-NRFANRHFSA-N 1 3 415.647 3.200 50 0 HGAAHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3OCC(F)(F)F)CC2)CC1 ZINC000095957701 568669672 /nfs/dbraw/zinc/66/96/72/568669672.db2.gz VFEXUJIHYZBTLL-UHFFFAOYSA-N 1 3 414.472 3.308 50 0 HGAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012385906 568672990 /nfs/dbraw/zinc/67/29/90/568672990.db2.gz ZHLLJPBLORXRSR-OAQYLSRUSA-N 1 3 420.594 3.312 50 0 HGAAHO COc1ccc(CNCc2cccc(Cl)c2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012443035 568725054 /nfs/dbraw/zinc/72/50/54/568725054.db2.gz NOIUVTYLNRBOGQ-HXUWFJFHSA-N 1 3 404.938 3.474 50 0 HGAAHO Cn1nccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012594901 568868819 /nfs/dbraw/zinc/86/88/19/568868819.db2.gz XXGSUCZXDYOJPX-HXUWFJFHSA-N 1 3 401.599 3.003 50 0 HGAAHO Cn1nccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012594901 568868821 /nfs/dbraw/zinc/86/88/21/568868821.db2.gz XXGSUCZXDYOJPX-HXUWFJFHSA-N 1 3 401.599 3.003 50 0 HGAAHO C[N@H+](CCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000065256031 569208289 /nfs/dbraw/zinc/20/82/89/569208289.db2.gz YTPFRKZRHRFDAN-QHCPKHFHSA-N 1 3 421.589 3.227 50 0 HGAAHO C[N@@H+](CCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000065256031 569208290 /nfs/dbraw/zinc/20/82/90/569208290.db2.gz YTPFRKZRHRFDAN-QHCPKHFHSA-N 1 3 421.589 3.227 50 0 HGAAHO CN(C)CCOc1cc(Br)c(OCC[NH+](C)C)cc1Br ZINC000044583764 521795627 /nfs/dbraw/zinc/79/56/27/521795627.db2.gz ROMKKPMBKLIRCX-UHFFFAOYSA-N 1 3 410.150 3.092 50 0 HGAAHO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc(CN4CCCCC4)cs3)CC2)O1 ZINC000011997918 558307493 /nfs/dbraw/zinc/30/74/93/558307493.db2.gz FYORVTCQWZEYKY-HXUWFJFHSA-N 1 3 405.608 3.384 50 0 HGAAHO Cc1cc(C)n(CCNCc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)n1 ZINC000012836801 558478394 /nfs/dbraw/zinc/47/83/94/558478394.db2.gz DYIWLBTVLYXQQP-QHCPKHFHSA-N 1 3 414.594 3.294 50 0 HGAAHO Cc1cc(C)n(CCNCc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)n1 ZINC000012836801 558478396 /nfs/dbraw/zinc/47/83/96/558478396.db2.gz DYIWLBTVLYXQQP-QHCPKHFHSA-N 1 3 414.594 3.294 50 0 HGAAHO COC1CC[NH+](Cc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000014964464 558685243 /nfs/dbraw/zinc/68/52/43/558685243.db2.gz BARYESJIWULGLU-QHCPKHFHSA-N 1 3 410.558 3.095 50 0 HGAAHO CN1CCN(Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)CC1(C)C ZINC000095511722 559084016 /nfs/dbraw/zinc/08/40/16/559084016.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CN1CCN(Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000095511722 559084018 /nfs/dbraw/zinc/08/40/18/559084018.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 1 3 403.611 3.217 50 0 HGAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000011821046 559260434 /nfs/dbraw/zinc/26/04/34/559260434.db2.gz DBVRIODBEAILPM-JOCHJYFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000011821046 559260436 /nfs/dbraw/zinc/26/04/36/559260436.db2.gz DBVRIODBEAILPM-JOCHJYFZSA-N 1 3 423.605 3.465 50 0 HGAAHO CC[N@@H+]1CCC[C@@H]1CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786145 568875676 /nfs/dbraw/zinc/87/56/76/568875676.db2.gz PKOXLRGRQNVLSL-DLBZAZTESA-N 1 3 407.942 3.024 50 0 HGAAHO CC[N@H+]1CCC[C@@H]1CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000299786145 568875677 /nfs/dbraw/zinc/87/56/77/568875677.db2.gz PKOXLRGRQNVLSL-DLBZAZTESA-N 1 3 407.942 3.024 50 0 HGAAHO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1 ZINC000065256404 569208370 /nfs/dbraw/zinc/20/83/70/569208370.db2.gz SWDPSGHHDIHFAU-QHCPKHFHSA-N 1 3 421.589 3.084 50 0 HGAAHO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)CC1 ZINC000065256405 569208439 /nfs/dbraw/zinc/20/84/39/569208439.db2.gz SWDPSGHHDIHFAU-HSZRJFAPSA-N 1 3 421.589 3.084 50 0 HGAAHO CN1CCN(CC[NH2+][C@@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484666 569289168 /nfs/dbraw/zinc/28/91/68/569289168.db2.gz GDZFPBFYBQNEBB-PMACEKPBSA-N 1 3 408.631 3.170 50 0 HGAAHO COc1cc(CN(C)CCOc2ccccc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012019844 558309129 /nfs/dbraw/zinc/30/91/29/558309129.db2.gz NOSNVOHXEFWSBT-NRFANRHFSA-N 1 3 416.562 3.286 50 0 HGAAHO COc1cc(CN(C)CCOc2ccccc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012019844 558309130 /nfs/dbraw/zinc/30/91/30/558309130.db2.gz NOSNVOHXEFWSBT-NRFANRHFSA-N 1 3 416.562 3.286 50 0 HGAAHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505910 558560288 /nfs/dbraw/zinc/56/02/88/558560288.db2.gz UONLGUZLAWTBBK-SFTDATJTSA-N 1 3 421.626 3.153 50 0 HGAAHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505910 558560290 /nfs/dbraw/zinc/56/02/90/558560290.db2.gz UONLGUZLAWTBBK-SFTDATJTSA-N 1 3 421.626 3.153 50 0 HGAAHO COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000014955133 558682158 /nfs/dbraw/zinc/68/21/58/558682158.db2.gz JDZDILWHUDRNRR-OAQYLSRUSA-N 1 3 416.562 3.082 50 0 HGAAHO COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000015075803 558716370 /nfs/dbraw/zinc/71/63/70/558716370.db2.gz PGVTXEWUVSMGAD-OAQYLSRUSA-N 1 3 418.603 3.410 50 0 HGAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000095347277 559079517 /nfs/dbraw/zinc/07/95/17/559079517.db2.gz HSEROLWALFISAF-OYRHEFFESA-N 1 3 413.606 3.307 50 0 HGAAHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000095940799 568661814 /nfs/dbraw/zinc/66/18/14/568661814.db2.gz OQVCTCBLTZPUMO-RUZDIDTESA-N 1 3 419.573 3.464 50 0 HGAAHO Cc1ccc([C@@H](CCn2cncn2)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000095940799 568661818 /nfs/dbraw/zinc/66/18/18/568661818.db2.gz OQVCTCBLTZPUMO-RUZDIDTESA-N 1 3 419.573 3.464 50 0 HGAAHO CN1CCN(CC[NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484668 569289163 /nfs/dbraw/zinc/28/91/63/569289163.db2.gz GDZFPBFYBQNEBB-VQTJNVASSA-N 1 3 408.631 3.170 50 0 HGAAHO