smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011878631 558293061 /nfs/dbraw/zinc/29/30/61/558293061.db2.gz BMMGKIZZNQCDGA-HXUWFJFHSA-N 2 1 420.500 3.489 50 0 HGAAMP Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012024667 558309942 /nfs/dbraw/zinc/30/99/42/558309942.db2.gz ZRBUJLNHOOMJKX-FQEVSTJZSA-N 2 1 412.553 3.445 50 0 HGAAMP Nc1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020235764 558350795 /nfs/dbraw/zinc/35/07/95/558350795.db2.gz KTQCMTSBZHKDOD-FQEVSTJZSA-N 2 1 400.615 3.001 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012320813 558382478 /nfs/dbraw/zinc/38/24/78/558382478.db2.gz PMGALUIDRCRBQE-JOCHJYFZSA-N 2 1 423.605 3.465 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccc(C)n2)C1 ZINC000012717103 558455648 /nfs/dbraw/zinc/45/56/48/558455648.db2.gz LAQDHARXTNQCBS-NRFANRHFSA-N 2 1 424.589 3.315 50 0 HGAAMP CC[N@H+](C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955740 558682380 /nfs/dbraw/zinc/68/23/80/558682380.db2.gz VFDSLGOGCBSIRD-JOCHJYFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[N@@H+](C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955740 558682384 /nfs/dbraw/zinc/68/23/84/558682384.db2.gz VFDSLGOGCBSIRD-JOCHJYFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[NH+](C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955740 558682387 /nfs/dbraw/zinc/68/23/87/558682387.db2.gz VFDSLGOGCBSIRD-JOCHJYFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[NH+](C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955740 558682390 /nfs/dbraw/zinc/68/23/90/558682390.db2.gz VFDSLGOGCBSIRD-JOCHJYFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CCC(=O)N[C@@H]1CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772281 /nfs/dbraw/zinc/77/22/81/558772281.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 2 1 422.658 3.308 50 0 HGAAMP CCC(=O)N[C@@H]1CCC[N@@H+](CCCCCCCC[NH+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772283 /nfs/dbraw/zinc/77/22/83/558772283.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 2 1 422.658 3.308 50 0 HGAAMP CCC(=O)N[C@@H]1CCC[N@H+](CCCCCCCC[NH+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772285 /nfs/dbraw/zinc/77/22/85/558772285.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 2 1 422.658 3.308 50 0 HGAAMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377484 558942556 /nfs/dbraw/zinc/94/25/56/558942556.db2.gz BFMPROPBLIXKCV-KRWDZBQOSA-N 2 1 421.545 3.027 50 0 HGAAMP CCn1cc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000095504599 559082997 /nfs/dbraw/zinc/08/29/97/559082997.db2.gz FTGAAAJDSGAANJ-UHFFFAOYSA-N 2 1 424.637 3.415 50 0 HGAAMP Cc1cc(C[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521427 559085251 /nfs/dbraw/zinc/08/52/51/559085251.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1cc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521427 559085254 /nfs/dbraw/zinc/08/52/54/559085254.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1cc(C[NH+](C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521427 559085255 /nfs/dbraw/zinc/08/52/55/559085255.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1cc(C[NH+](C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521427 559085257 /nfs/dbraw/zinc/08/52/57/559085257.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095523162 559085586 /nfs/dbraw/zinc/08/55/86/559085586.db2.gz WSAFDODFUAIMJU-LJQANCHMSA-N 2 1 400.542 3.378 50 0 HGAAMP O[C@@H](COc1cccc(C[NH2+]Cc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000011937825 559268814 /nfs/dbraw/zinc/26/88/14/559268814.db2.gz HHVOYGQPYSNDEE-XMMPIXPASA-N 2 1 403.526 3.169 50 0 HGAAMP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012091234 560888889 /nfs/dbraw/zinc/88/88/89/560888889.db2.gz ZIYADNQEBZUUSS-NRFANRHFSA-N 2 1 404.526 3.247 50 0 HGAAMP O=C(CC[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020455185 558369056 /nfs/dbraw/zinc/36/90/56/558369056.db2.gz VVISKCLLOHHJGG-HSZRJFAPSA-N 2 1 406.574 3.418 50 0 HGAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020455185 558369058 /nfs/dbraw/zinc/36/90/58/558369058.db2.gz VVISKCLLOHHJGG-HSZRJFAPSA-N 2 1 406.574 3.418 50 0 HGAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3OCCO)CC2)cc1 ZINC000012430559 558405252 /nfs/dbraw/zinc/40/52/52/558405252.db2.gz DHZZOHHBNLFYTL-UHFFFAOYSA-N 2 1 412.574 3.453 50 0 HGAAMP Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012478313 558423064 /nfs/dbraw/zinc/42/30/64/558423064.db2.gz XBXPBXMKECDDQO-QFIPXVFZSA-N 2 1 414.594 3.363 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCOCC3)CC2)CC1 ZINC000012703912 558448778 /nfs/dbraw/zinc/44/87/78/558448778.db2.gz WWFKUZVEWXRBCV-UHFFFAOYSA-N 2 1 413.606 3.214 50 0 HGAAMP CCCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014748899 558670245 /nfs/dbraw/zinc/67/02/45/558670245.db2.gz GLOYNHSUVXUKNO-NHCUHLMSSA-N 2 1 417.594 3.154 50 0 HGAAMP CCCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014748899 558670249 /nfs/dbraw/zinc/67/02/49/558670249.db2.gz GLOYNHSUVXUKNO-NHCUHLMSSA-N 2 1 417.594 3.154 50 0 HGAAMP COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000014949276 558680568 /nfs/dbraw/zinc/68/05/68/558680568.db2.gz VIQQIXPQBHIMCO-HXUWFJFHSA-N 2 1 419.591 3.366 50 0 HGAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981209 558691588 /nfs/dbraw/zinc/69/15/88/558691588.db2.gz OYXGPRHOAMTEQR-MRXNPFEDSA-N 2 1 403.464 3.380 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CCOc1cccnc1)C1CCCCC1 ZINC000015072411 558713832 /nfs/dbraw/zinc/71/38/32/558713832.db2.gz RHCXDJYXBHZSNP-QFIPXVFZSA-N 2 1 413.562 3.254 50 0 HGAAMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518439 558821977 /nfs/dbraw/zinc/82/19/77/558821977.db2.gz UONLGUZLAWTBBK-NHCUHLMSSA-N 2 1 421.626 3.153 50 0 HGAAMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518439 558821979 /nfs/dbraw/zinc/82/19/79/558821979.db2.gz UONLGUZLAWTBBK-NHCUHLMSSA-N 2 1 421.626 3.153 50 0 HGAAMP O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000247726315 559077997 /nfs/dbraw/zinc/07/79/97/559077997.db2.gz CXIZJYGEFJRNDW-DYESRHJHSA-N 2 1 405.970 3.094 50 0 HGAAMP O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000247726315 559077998 /nfs/dbraw/zinc/07/79/98/559077998.db2.gz CXIZJYGEFJRNDW-DYESRHJHSA-N 2 1 405.970 3.094 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012001998 559270699 /nfs/dbraw/zinc/27/06/99/559270699.db2.gz CZQOAGSNSGKIJA-HSZRJFAPSA-N 2 1 414.594 3.238 50 0 HGAAMP COc1cccc([C@@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2nccn2C)c1 ZINC000109041232 568420960 /nfs/dbraw/zinc/42/09/60/568420960.db2.gz KUVNYZCDZPGCQN-GHTZIAJQSA-N 2 1 413.566 3.329 50 0 HGAAMP COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015066908 568748983 /nfs/dbraw/zinc/74/89/83/568748983.db2.gz ZLDBTNDEJFZDIH-NRFANRHFSA-N 2 1 404.526 3.247 50 0 HGAAMP Cn1nccc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012594906 568868793 /nfs/dbraw/zinc/86/87/93/568868793.db2.gz XXGSUCZXDYOJPX-FQEVSTJZSA-N 2 1 401.599 3.003 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786164 568875660 /nfs/dbraw/zinc/87/56/60/568875660.db2.gz PKOXLRGRQNVLSL-SJORKVTESA-N 2 1 407.942 3.024 50 0 HGAAMP CCc1cc2c(cc1OC(=O)[C@@H](C)[NH3+])oc([C@H](C)[NH3+])c(-c1nc(C)cs1)c2=O ZINC000001882462 569056859 /nfs/dbraw/zinc/05/68/59/569056859.db2.gz QBUYAFYGACENJH-WDEREUQCSA-N 2 1 401.488 3.060 50 0 biogenic HGAAMP CC[N@H+]1CC[C@H](CN(C)C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)C1 ZINC000011816883 558280049 /nfs/dbraw/zinc/28/00/49/558280049.db2.gz CEDFXFNEVFRCIT-LJQANCHMSA-N 2 1 417.594 3.361 50 0 HGAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000011819842 558283092 /nfs/dbraw/zinc/28/30/92/558283092.db2.gz ZNGIECZDDRXLOS-QHCPKHFHSA-N 2 1 423.605 3.286 50 0 HGAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000011819842 558283093 /nfs/dbraw/zinc/28/30/93/558283093.db2.gz ZNGIECZDDRXLOS-QHCPKHFHSA-N 2 1 423.605 3.286 50 0 HGAAMP O=C(NCCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011821295 558284532 /nfs/dbraw/zinc/28/45/32/558284532.db2.gz OLDKGFPERXMQMG-QHCPKHFHSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011821295 558284536 /nfs/dbraw/zinc/28/45/36/558284536.db2.gz OLDKGFPERXMQMG-QHCPKHFHSA-N 2 1 406.574 3.117 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000012076413 558320165 /nfs/dbraw/zinc/32/01/65/558320165.db2.gz DBQRMWDOYJHGMJ-QHCPKHFHSA-N 2 1 412.574 3.343 50 0 HGAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441701 558412422 /nfs/dbraw/zinc/41/24/22/558412422.db2.gz DHBAUQQQEMQLKY-KRWDZBQOSA-N 2 1 404.555 3.198 50 0 HGAAMP Cc1cc(C)n(CC[NH2+]Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)n1 ZINC000012836799 558478409 /nfs/dbraw/zinc/47/84/09/558478409.db2.gz DYIWLBTVLYXQQP-HSZRJFAPSA-N 2 1 414.594 3.294 50 0 HGAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177955 558590997 /nfs/dbraw/zinc/59/09/97/558590997.db2.gz VAXIYHFGOSSRCP-DENIHFKCSA-N 2 1 404.558 3.442 50 0 HGAAMP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000015073246 558714159 /nfs/dbraw/zinc/71/41/59/558714159.db2.gz NVBQNHPPQBNHHE-FQEVSTJZSA-N 2 1 412.553 3.445 50 0 HGAAMP C[N@H+]1CCN(CCC[NH2+]Cc2csc(-c3ncccn3)n2)[C@H](c2ccccc2)C1 ZINC000058298877 558917548 /nfs/dbraw/zinc/91/75/48/558917548.db2.gz LBIUZDZNVAJWBL-FQEVSTJZSA-N 2 1 408.575 3.069 50 0 HGAAMP CN(C)[C@@H]1CC[N@@H+](CCCN2CC3(CC[NH+](C4CCCCCC4)CC3)OC2=O)C1 ZINC000072428114 558979231 /nfs/dbraw/zinc/97/92/31/558979231.db2.gz GYNLTHRXMABIDV-OAQYLSRUSA-N 2 1 406.615 3.022 50 0 HGAAMP CN(C)[C@@H]1CC[N@H+](CCCN2CC3(CC[NH+](C4CCCCCC4)CC3)OC2=O)C1 ZINC000072428114 558979229 /nfs/dbraw/zinc/97/92/29/558979229.db2.gz GYNLTHRXMABIDV-OAQYLSRUSA-N 2 1 406.615 3.022 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155616 559041364 /nfs/dbraw/zinc/04/13/64/559041364.db2.gz YFCGPJQKBUBSJX-QFIPXVFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155616 559041365 /nfs/dbraw/zinc/04/13/65/559041365.db2.gz YFCGPJQKBUBSJX-QFIPXVFZSA-N 2 1 406.574 3.383 50 0 HGAAMP CC[N@H+]1CCCN(Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)CC1 ZINC000095512181 559084302 /nfs/dbraw/zinc/08/43/02/559084302.db2.gz IHZGDZQWYPFHOW-HSZRJFAPSA-N 2 1 403.611 3.218 50 0 HGAAMP CC[NH+]1CCCN(Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000095512181 559084304 /nfs/dbraw/zinc/08/43/04/559084304.db2.gz IHZGDZQWYPFHOW-HSZRJFAPSA-N 2 1 403.611 3.218 50 0 HGAAMP CC[NH+]1CCCN(Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000095512181 559084305 /nfs/dbraw/zinc/08/43/05/559084305.db2.gz IHZGDZQWYPFHOW-HSZRJFAPSA-N 2 1 403.611 3.218 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000229550531 568714588 /nfs/dbraw/zinc/71/45/88/568714588.db2.gz YFRVCXMULMTCAR-REHUZNOOSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000229550531 568714592 /nfs/dbraw/zinc/71/45/92/568714592.db2.gz YFRVCXMULMTCAR-REHUZNOOSA-N 2 1 407.558 3.300 50 0 HGAAMP CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@H](C)C(C)C)cc1 ZINC000096280017 568717756 /nfs/dbraw/zinc/71/77/56/568717756.db2.gz GVEXEDMRJYINQV-GOSISDBHSA-N 2 1 416.566 3.411 50 0 HGAAMP CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@H](C)C(C)C)cc1 ZINC000096280017 568717759 /nfs/dbraw/zinc/71/77/59/568717759.db2.gz GVEXEDMRJYINQV-GOSISDBHSA-N 2 1 416.566 3.411 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786152 568875507 /nfs/dbraw/zinc/87/55/07/568875507.db2.gz PKOXLRGRQNVLSL-IAGOWNOFSA-N 2 1 407.942 3.024 50 0 HGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)CC1 ZINC000104635933 569008123 /nfs/dbraw/zinc/00/81/23/569008123.db2.gz KEXHQTBWYMTNSV-HSZRJFAPSA-N 2 1 417.642 3.199 50 0 HGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)CC1 ZINC000104635933 569008124 /nfs/dbraw/zinc/00/81/24/569008124.db2.gz KEXHQTBWYMTNSV-HSZRJFAPSA-N 2 1 417.642 3.199 50 0 HGAAMP CC1=C(C(=O)NCCC[NH+]2CCC([NH+]3CCCCC3)CC2)C2(CCCCC2)OC1=O ZINC000006932971 569184544 /nfs/dbraw/zinc/18/45/44/569184544.db2.gz MYXOGYAWKXHBHN-UHFFFAOYSA-N 2 1 417.594 3.019 50 0 biogenic HGAAMP C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102026 569277815 /nfs/dbraw/zinc/27/78/15/569277815.db2.gz GQWCDWWREXSFDW-GJLHXFCQSA-N 2 1 416.606 3.222 50 0 HGAAMP C/C(=C\c1ccccc1)C[N@H+]1CCOc2ccc(CN3CC[NH+](CCO)CC3)cc2C1 ZINC000019739758 569429421 /nfs/dbraw/zinc/42/94/21/569429421.db2.gz YRSVSMUHSKWTDK-OQKWZONESA-N 2 1 421.585 3.094 50 0 HGAAMP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2OCCO)C1 ZINC000011817856 558281199 /nfs/dbraw/zinc/28/11/99/558281199.db2.gz QQABBQIJPJJSTC-NRFANRHFSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2OCCO)C1 ZINC000011817856 558281201 /nfs/dbraw/zinc/28/12/01/558281201.db2.gz QQABBQIJPJJSTC-NRFANRHFSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2OCCO)C1 ZINC000011817856 558281202 /nfs/dbraw/zinc/28/12/02/558281202.db2.gz QQABBQIJPJJSTC-NRFANRHFSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2OCCO)C1 ZINC000011817856 558281203 /nfs/dbraw/zinc/28/12/03/558281203.db2.gz QQABBQIJPJJSTC-NRFANRHFSA-N 2 1 412.574 3.453 50 0 HGAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020455183 558368973 /nfs/dbraw/zinc/36/89/73/558368973.db2.gz VVISKCLLOHHJGG-QHCPKHFHSA-N 2 1 406.574 3.418 50 0 HGAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020455183 558368977 /nfs/dbraw/zinc/36/89/77/558368977.db2.gz VVISKCLLOHHJGG-QHCPKHFHSA-N 2 1 406.574 3.418 50 0 HGAAMP COc1ccc(C[N@@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NCC(C)C)C2)cc1OC ZINC000014534917 558657790 /nfs/dbraw/zinc/65/77/90/558657790.db2.gz QHYHGEOVEVZENV-NHCUHLMSSA-N 2 1 417.594 3.010 50 0 HGAAMP COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NCC(C)C)C2)cc1OC ZINC000014534917 558657792 /nfs/dbraw/zinc/65/77/92/558657792.db2.gz QHYHGEOVEVZENV-NHCUHLMSSA-N 2 1 417.594 3.010 50 0 HGAAMP O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015065066 558708137 /nfs/dbraw/zinc/70/81/37/558708137.db2.gz SFYKTZPDFOFJOO-DEOSSOPVSA-N 2 1 406.574 3.465 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)Cc2nccs2)C1 ZINC000039557989 558822477 /nfs/dbraw/zinc/82/24/77/558822477.db2.gz NFZUAMXZLWNTRY-IBGZPJMESA-N 2 1 402.608 3.428 50 0 HGAAMP CN(C)[C@H]1CC[N@H+](CCCN2CC3(CC[NH+](C4CCCCCC4)CC3)OC2=O)C1 ZINC000072428115 558979154 /nfs/dbraw/zinc/97/91/54/558979154.db2.gz GYNLTHRXMABIDV-NRFANRHFSA-N 2 1 406.615 3.022 50 0 HGAAMP CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CC[NH+](C4CCCCCC4)CC3)OC2=O)C1 ZINC000072428115 558979156 /nfs/dbraw/zinc/97/91/56/558979156.db2.gz GYNLTHRXMABIDV-NRFANRHFSA-N 2 1 406.615 3.022 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c1 ZINC000076961929 558998818 /nfs/dbraw/zinc/99/88/18/558998818.db2.gz CLXYIZDFZJWMIQ-UHFFFAOYSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccnc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000082125559 559039634 /nfs/dbraw/zinc/03/96/34/559039634.db2.gz GVJRZZDRGZSQTC-QHCPKHFHSA-N 2 1 420.601 3.425 50 0 HGAAMP Cc1ccnc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000082125559 559039635 /nfs/dbraw/zinc/03/96/35/559039635.db2.gz GVJRZZDRGZSQTC-QHCPKHFHSA-N 2 1 420.601 3.425 50 0 HGAAMP COC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082155912 559041391 /nfs/dbraw/zinc/04/13/91/559041391.db2.gz JCLQTTLFLWFVIG-JOCHJYFZSA-N 2 1 413.606 3.043 50 0 HGAAMP COC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082155912 559041392 /nfs/dbraw/zinc/04/13/92/559041392.db2.gz JCLQTTLFLWFVIG-JOCHJYFZSA-N 2 1 413.606 3.043 50 0 HGAAMP Cn1ccnc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095510598 559083732 /nfs/dbraw/zinc/08/37/32/559083732.db2.gz UGPNVTOGBQTYKG-FQEVSTJZSA-N 2 1 401.599 3.003 50 0 HGAAMP C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004063002 560598278 /nfs/dbraw/zinc/59/82/78/560598278.db2.gz GQWCDWWREXSFDW-RIVFAIMISA-N 2 1 416.606 3.222 50 0 HGAAMP O[C@@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012308018 568464723 /nfs/dbraw/zinc/46/47/23/568464723.db2.gz VBRHNWKGNBLPEP-RUZDIDTESA-N 2 1 417.553 3.212 50 0 HGAAMP COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000039557675 571133125 /nfs/dbraw/zinc/13/31/25/571133125.db2.gz JRGGWRMSDAYBCY-NRFANRHFSA-N 2 1 421.626 3.129 50 0 HGAAMP COc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000039557675 571133126 /nfs/dbraw/zinc/13/31/26/571133126.db2.gz JRGGWRMSDAYBCY-NRFANRHFSA-N 2 1 421.626 3.129 50 0 HGAAMP COc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000039557675 571133127 /nfs/dbraw/zinc/13/31/27/571133127.db2.gz JRGGWRMSDAYBCY-NRFANRHFSA-N 2 1 421.626 3.129 50 0 HGAAMP COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1C[N@H+](CC(C)C)CC2 ZINC000034755621 571316552 /nfs/dbraw/zinc/31/65/52/571316552.db2.gz MCOREGYTAWPSRY-UHFFFAOYSA-N 2 1 411.550 3.043 50 0 HGAAMP COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1C[N@@H+](CC(C)C)CC2 ZINC000034755621 571316553 /nfs/dbraw/zinc/31/65/53/571316553.db2.gz MCOREGYTAWPSRY-UHFFFAOYSA-N 2 1 411.550 3.043 50 0 HGAAMP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424043 /nfs/dbraw/zinc/42/40/43/558424043.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424046 /nfs/dbraw/zinc/42/40/46/558424046.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424048 /nfs/dbraw/zinc/42/40/48/558424048.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccccn2)C1 ZINC000012706514 558449978 /nfs/dbraw/zinc/44/99/78/558449978.db2.gz MOBHYFRFSQPVTG-HXUWFJFHSA-N 2 1 410.562 3.006 50 0 HGAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1OC ZINC000012713212 558453743 /nfs/dbraw/zinc/45/37/43/558453743.db2.gz VPRZXEACHZZLIW-SFHVURJKSA-N 2 1 405.539 3.178 50 0 HGAAMP C[N@@H+](Cc1ccc2nonc2c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014958579 558683155 /nfs/dbraw/zinc/68/31/55/558683155.db2.gz YBYSRDDDEJNUGY-HXUWFJFHSA-N 2 1 410.518 3.080 50 0 HGAAMP Cc1ccoc1C(=O)N(Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000015077676 558717265 /nfs/dbraw/zinc/71/72/65/558717265.db2.gz QICDCFWOSLYXDF-UHFFFAOYSA-N 2 1 410.562 3.432 50 0 HGAAMP O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058147604 558902231 /nfs/dbraw/zinc/90/22/31/558902231.db2.gz CXIZJYGEFJRNDW-UWJYYQICSA-N 2 1 405.970 3.094 50 0 HGAAMP O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058147604 558902233 /nfs/dbraw/zinc/90/22/33/558902233.db2.gz CXIZJYGEFJRNDW-UWJYYQICSA-N 2 1 405.970 3.094 50 0 HGAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)on1 ZINC000082092667 559037137 /nfs/dbraw/zinc/03/71/37/559037137.db2.gz YLGQQFPJSOXTNR-OAQYLSRUSA-N 2 1 410.562 3.018 50 0 HGAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)on1 ZINC000082092667 559037138 /nfs/dbraw/zinc/03/71/38/559037138.db2.gz YLGQQFPJSOXTNR-OAQYLSRUSA-N 2 1 410.562 3.018 50 0 HGAAMP CN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]2CCCO)CC1 ZINC000091626090 559072487 /nfs/dbraw/zinc/07/24/87/559072487.db2.gz JVZHHOSSBFNUIF-UTKZUKDTSA-N 2 1 402.970 3.103 50 0 HGAAMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000058010265 568875285 /nfs/dbraw/zinc/87/52/85/568875285.db2.gz IOMHXGCVADPHMV-DEOSSOPVSA-N 2 1 406.574 3.346 50 0 HGAAMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000058010265 568875287 /nfs/dbraw/zinc/87/52/87/568875287.db2.gz IOMHXGCVADPHMV-DEOSSOPVSA-N 2 1 406.574 3.346 50 0 HGAAMP O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000670450095 568925931 /nfs/dbraw/zinc/92/59/31/568925931.db2.gz QBTCXXSIFLMTGW-RUZDIDTESA-N 2 1 421.585 3.212 50 0 HGAAMP O=C(NCCC[NH+]1CCCC[C@@H]1CO)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000670450095 568925932 /nfs/dbraw/zinc/92/59/32/568925932.db2.gz QBTCXXSIFLMTGW-RUZDIDTESA-N 2 1 421.585 3.212 50 0 HGAAMP O=C(NCCC[NH+]1CCCC[C@@H]1CO)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000670450095 568925934 /nfs/dbraw/zinc/92/59/34/568925934.db2.gz QBTCXXSIFLMTGW-RUZDIDTESA-N 2 1 421.585 3.212 50 0 HGAAMP CN(CC[NH+]1CCCC1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000020537798 522827987 /nfs/dbraw/zinc/82/79/87/522827987.db2.gz KWSAZCPPLSWIQR-HSZRJFAPSA-N 2 1 403.611 3.218 50 0 HGAAMP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011763032 558273613 /nfs/dbraw/zinc/27/36/13/558273613.db2.gz LYUHHTWOWFGBMW-FQEVSTJZSA-N 2 1 402.535 3.454 50 0 HGAAMP O=C(NCc1ccco1)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011816660 558280141 /nfs/dbraw/zinc/28/01/41/558280141.db2.gz YRHDHHNMVDMXQF-NRFANRHFSA-N 2 1 407.558 3.240 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000011821114 558284544 /nfs/dbraw/zinc/28/45/44/558284544.db2.gz XKUNAGSZHQOAQL-HSZRJFAPSA-N 2 1 421.541 3.122 50 0 HGAAMP O=C(CC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012386037 558394763 /nfs/dbraw/zinc/39/47/63/558394763.db2.gz OVGYMZPLVPTRBU-DEOSSOPVSA-N 2 1 423.605 3.110 50 0 HGAAMP O=C(CC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012386037 558394766 /nfs/dbraw/zinc/39/47/66/558394766.db2.gz OVGYMZPLVPTRBU-DEOSSOPVSA-N 2 1 423.605 3.110 50 0 HGAAMP COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)cc1 ZINC000012576867 558430897 /nfs/dbraw/zinc/43/08/97/558430897.db2.gz GWFFWHNQFQCVMK-NRFANRHFSA-N 2 1 416.562 3.116 50 0 HGAAMP C[C@@H]1C[N@@H+](CCC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000039354752 558820154 /nfs/dbraw/zinc/82/01/54/558820154.db2.gz FGSJMNRARDTAIL-OFNKIYASSA-N 2 1 422.573 3.398 50 0 HGAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271059 558878198 /nfs/dbraw/zinc/87/81/98/558878198.db2.gz UCSATZJODPQPHG-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271059 558878200 /nfs/dbraw/zinc/87/82/00/558878200.db2.gz UCSATZJODPQPHG-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271059 558878203 /nfs/dbraw/zinc/87/82/03/558878203.db2.gz UCSATZJODPQPHG-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271059 558878205 /nfs/dbraw/zinc/87/82/05/558878205.db2.gz UCSATZJODPQPHG-JOCHJYFZSA-N 2 1 412.574 3.453 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098514 559037898 /nfs/dbraw/zinc/03/78/98/559037898.db2.gz WNXNWELRYVHXBL-JOCHJYFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098514 559037899 /nfs/dbraw/zinc/03/78/99/559037899.db2.gz WNXNWELRYVHXBL-JOCHJYFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100114 559038124 /nfs/dbraw/zinc/03/81/24/559038124.db2.gz VEQLLUODZHOGEH-QHCPKHFHSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100114 559038125 /nfs/dbraw/zinc/03/81/25/559038125.db2.gz VEQLLUODZHOGEH-QHCPKHFHSA-N 2 1 406.574 3.383 50 0 HGAAMP COC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082155915 559041428 /nfs/dbraw/zinc/04/14/28/559041428.db2.gz JCLQTTLFLWFVIG-QFIPXVFZSA-N 2 1 413.606 3.043 50 0 HGAAMP COC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082155915 559041429 /nfs/dbraw/zinc/04/14/29/559041429.db2.gz JCLQTTLFLWFVIG-QFIPXVFZSA-N 2 1 413.606 3.043 50 0 HGAAMP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)no1 ZINC000095499326 559081874 /nfs/dbraw/zinc/08/18/74/559081874.db2.gz AKERWWZCFFKRSJ-SFHVURJKSA-N 2 1 402.514 3.038 50 0 HGAAMP Cc1n[nH]cc1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095520892 559085330 /nfs/dbraw/zinc/08/53/30/559085330.db2.gz YKELGZBZZMLRNF-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1n[nH]cc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095520892 559085332 /nfs/dbraw/zinc/08/53/32/559085332.db2.gz YKELGZBZZMLRNF-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1n[nH]cc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095520892 559085333 /nfs/dbraw/zinc/08/53/33/559085333.db2.gz YKELGZBZZMLRNF-JOCHJYFZSA-N 2 1 400.567 3.354 50 0 HGAAMP O[C@H](COc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095524404 559085720 /nfs/dbraw/zinc/08/57/20/559085720.db2.gz DPQTXRVADPEQIG-QFIPXVFZSA-N 2 1 402.579 3.305 50 0 HGAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCCCOc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000096580332 568762435 /nfs/dbraw/zinc/76/24/35/568762435.db2.gz IQKQCGWRXQKWJO-UHFFFAOYSA-N 2 1 401.898 3.389 50 0 HGAAMP O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040050463 571143983 /nfs/dbraw/zinc/14/39/83/571143983.db2.gz POKNJVITGNFJOY-XMMPIXPASA-N 2 1 421.585 3.428 50 0 HGAAMP COc1cc(CN(C)CCC[NH+](C)C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011716264 558271788 /nfs/dbraw/zinc/27/17/88/558271788.db2.gz CJNPPHHHSKSXIX-QFIPXVFZSA-N 2 1 421.626 3.083 50 0 HGAAMP COc1cc(C[NH2+]CC2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011878399 558292745 /nfs/dbraw/zinc/29/27/45/558292745.db2.gz JPWPHJSALSOZGT-JOCHJYFZSA-N 2 1 420.594 3.216 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000011936159 558300295 /nfs/dbraw/zinc/30/02/95/558300295.db2.gz XGVZGZBZICWGMO-FQEVSTJZSA-N 2 1 411.594 3.166 50 0 HGAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314452 /nfs/dbraw/zinc/31/44/52/558314452.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314455 /nfs/dbraw/zinc/31/44/55/558314455.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314458 /nfs/dbraw/zinc/31/44/58/558314458.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 2 1 412.574 3.453 50 0 HGAAMP Nc1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020235767 558350716 /nfs/dbraw/zinc/35/07/16/558350716.db2.gz KTQCMTSBZHKDOD-HXUWFJFHSA-N 2 1 400.615 3.001 50 0 HGAAMP C[NH+](C)CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000020778074 558412071 /nfs/dbraw/zinc/41/20/71/558412071.db2.gz HUFOKVRYVIAENK-RUZDIDTESA-N 2 1 422.617 3.414 50 0 HGAAMP C[NH+](C)CCOc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000020778074 558412072 /nfs/dbraw/zinc/41/20/72/558412072.db2.gz HUFOKVRYVIAENK-RUZDIDTESA-N 2 1 422.617 3.414 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000015072565 558713844 /nfs/dbraw/zinc/71/38/44/558713844.db2.gz QRYFDILJEQEAEU-HXUWFJFHSA-N 2 1 405.558 3.427 50 0 HGAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)Cc2ccncc2C)ccc1OC ZINC000015075933 558716265 /nfs/dbraw/zinc/71/62/65/558716265.db2.gz PQWTWLSDMZUNBA-NRFANRHFSA-N 2 1 401.551 3.112 50 0 HGAAMP C[C@H]1CCC[N@H+]1Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000071712025 558907172 /nfs/dbraw/zinc/90/71/72/558907172.db2.gz OFBQXGIJXWATCH-IBGZPJMESA-N 2 1 409.578 3.409 50 0 HGAAMP O=C(c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000067885891 558994326 /nfs/dbraw/zinc/99/43/26/558994326.db2.gz YFYHCYUNCCYFSK-NRFANRHFSA-N 2 1 408.546 3.050 50 0 HGAAMP O=C(c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000067885891 558994328 /nfs/dbraw/zinc/99/43/28/558994328.db2.gz YFYHCYUNCCYFSK-NRFANRHFSA-N 2 1 408.546 3.050 50 0 HGAAMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067883929 558994474 /nfs/dbraw/zinc/99/44/74/558994474.db2.gz OUEXXMSONYIILR-OAQYLSRUSA-N 2 1 410.562 3.343 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067883929 558994476 /nfs/dbraw/zinc/99/44/76/558994476.db2.gz OUEXXMSONYIILR-OAQYLSRUSA-N 2 1 410.562 3.343 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083745 559036678 /nfs/dbraw/zinc/03/66/78/559036678.db2.gz WBBCZYYJMTUITQ-JOCHJYFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083745 559036680 /nfs/dbraw/zinc/03/66/80/559036680.db2.gz WBBCZYYJMTUITQ-JOCHJYFZSA-N 2 1 406.574 3.383 50 0 HGAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@@H](C)CCc3ccc(O)cc3)CC2)CC1 ZINC000096879117 559112480 /nfs/dbraw/zinc/11/24/80/559112480.db2.gz OSBCWCZPESFFAW-FQEVSTJZSA-N 2 1 401.595 3.370 50 0 HGAAMP O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000106075428 560884474 /nfs/dbraw/zinc/88/44/74/560884474.db2.gz CXIZJYGEFJRNDW-UTKZUKDTSA-N 2 1 405.970 3.094 50 0 HGAAMP O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000106075428 560884475 /nfs/dbraw/zinc/88/44/75/560884475.db2.gz CXIZJYGEFJRNDW-UTKZUKDTSA-N 2 1 405.970 3.094 50 0 HGAAMP COc1ccc(C[NH2+]CCc2ccccc2F)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000014970213 568497582 /nfs/dbraw/zinc/49/75/82/568497582.db2.gz YULOVADBZLEYCC-FQEVSTJZSA-N 2 1 404.526 3.247 50 0 HGAAMP O=C1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CCN1CC[NH+]1CCCC1 ZINC000299765105 568873510 /nfs/dbraw/zinc/87/35/10/568873510.db2.gz VRAXFSZPLCOIOP-UHFFFAOYSA-N 2 1 407.558 3.396 50 0 HGAAMP C[N@@H+](CCNC(=O)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000065255862 569208059 /nfs/dbraw/zinc/20/80/59/569208059.db2.gz HDQJVGXUWRPEFB-QHCPKHFHSA-N 2 1 421.589 3.227 50 0 HGAAMP COc1c2c(cc3c1[C@H](CC(=O)C1(c4ccccc4)CC[NH2+]CC1)[N@H+](C)CC3)OCO2 ZINC000524731499 569212325 /nfs/dbraw/zinc/21/23/25/569212325.db2.gz ACFKGJUPVHJCNO-IBGZPJMESA-N 2 1 422.525 3.234 50 0 biogenic HGAAMP COc1c2c(cc3c1[C@H](CC(=O)C1(c4ccccc4)CC[NH2+]CC1)[N@@H+](C)CC3)OCO2 ZINC000524731499 569212326 /nfs/dbraw/zinc/21/23/26/569212326.db2.gz ACFKGJUPVHJCNO-IBGZPJMESA-N 2 1 422.525 3.234 50 0 biogenic HGAAMP CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH+]3CCC([NH+]4CCCCC4)CC3)CO2)CC1 ZINC000006747696 569280125 /nfs/dbraw/zinc/28/01/25/569280125.db2.gz CBSGHPIDAWIKAK-FQEVSTJZSA-N 2 1 407.599 3.495 50 0 HGAAMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH+]3CCC([NH+]4CCCCC4)CC3)CO2)CC1 ZINC000006747698 569280145 /nfs/dbraw/zinc/28/01/45/569280145.db2.gz CBSGHPIDAWIKAK-HXUWFJFHSA-N 2 1 407.599 3.495 50 0 HGAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002102034 569281469 /nfs/dbraw/zinc/28/14/69/569281469.db2.gz GQWCDWWREXSFDW-AMBFMMJXSA-N 2 1 416.606 3.222 50 0 biogenic HGAAMP c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[N@H+](C3CCSCC3)CCO4)CC2)nc1 ZINC000011911131 132352157 /nfs/dbraw/zinc/35/21/57/132352157.db2.gz QQGIBJQOLFXTQN-UHFFFAOYSA-N 2 1 424.614 3.494 50 0 HGAAMP c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[N@@H+](C3CCSCC3)CCO4)CC2)nc1 ZINC000011911131 132352160 /nfs/dbraw/zinc/35/21/60/132352160.db2.gz QQGIBJQOLFXTQN-UHFFFAOYSA-N 2 1 424.614 3.494 50 0 HGAAMP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(C)cc4)CC3)cc2)CC1 ZINC000034668271 557361652 /nfs/dbraw/zinc/36/16/52/557361652.db2.gz SMZNTOCOJULDFJ-UHFFFAOYSA-N 2 1 406.574 3.095 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000011668220 558269921 /nfs/dbraw/zinc/26/99/21/558269921.db2.gz TXWAESPHDVWJLF-DEOSSOPVSA-N 2 1 405.542 3.286 50 0 HGAAMP COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011878630 558293102 /nfs/dbraw/zinc/29/31/02/558293102.db2.gz BMMGKIZZNQCDGA-FQEVSTJZSA-N 2 1 420.500 3.489 50 0 HGAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1)C1CC[NH+](C)CC1 ZINC000011938136 558301474 /nfs/dbraw/zinc/30/14/74/558301474.db2.gz IFKFWHWHGROVET-OAQYLSRUSA-N 2 1 423.605 3.417 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434860 558408555 /nfs/dbraw/zinc/40/85/55/558408555.db2.gz LARRWWBIHAOMMI-HSZRJFAPSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434860 558408559 /nfs/dbraw/zinc/40/85/59/558408559.db2.gz LARRWWBIHAOMMI-HSZRJFAPSA-N 2 1 406.574 3.383 50 0 HGAAMP Cn1cc(CC[N@@H+](C)Cc2ccccc2OC[C@H](O)C[NH+](C)C2CCCCC2)cn1 ZINC000012574336 558430432 /nfs/dbraw/zinc/43/04/32/558430432.db2.gz CUMGLYJNEVRSBM-HSZRJFAPSA-N 2 1 414.594 3.099 50 0 HGAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)cn1 ZINC000012574336 558430433 /nfs/dbraw/zinc/43/04/33/558430433.db2.gz CUMGLYJNEVRSBM-HSZRJFAPSA-N 2 1 414.594 3.099 50 0 HGAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)cn1 ZINC000012574336 558430436 /nfs/dbraw/zinc/43/04/36/558430436.db2.gz CUMGLYJNEVRSBM-HSZRJFAPSA-N 2 1 414.594 3.099 50 0 HGAAMP CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000012706927 558450202 /nfs/dbraw/zinc/45/02/02/558450202.db2.gz GOAXGAYWHPSBLS-UHFFFAOYSA-N 2 1 417.594 3.028 50 0 HGAAMP COc1ccc(C[NH+]2CCSCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012754989 558459851 /nfs/dbraw/zinc/45/98/51/558459851.db2.gz HPWABOBNVGSHDH-NRFANRHFSA-N 2 1 416.587 3.116 50 0 HGAAMP COc1ccc(C[NH+]2CCSCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012754989 558459854 /nfs/dbraw/zinc/45/98/54/558459854.db2.gz HPWABOBNVGSHDH-NRFANRHFSA-N 2 1 416.587 3.116 50 0 HGAAMP COc1ccc(C[NH+]2CCSCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012754995 558459916 /nfs/dbraw/zinc/45/99/16/558459916.db2.gz HPWABOBNVGSHDH-OAQYLSRUSA-N 2 1 416.587 3.116 50 0 HGAAMP COc1ccc(C[NH+]2CCSCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012754995 558459918 /nfs/dbraw/zinc/45/99/18/558459918.db2.gz HPWABOBNVGSHDH-OAQYLSRUSA-N 2 1 416.587 3.116 50 0 HGAAMP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000015075801 558716258 /nfs/dbraw/zinc/71/62/58/558716258.db2.gz PGVTXEWUVSMGAD-NRFANRHFSA-N 2 1 418.603 3.410 50 0 HGAAMP Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082120848 559039316 /nfs/dbraw/zinc/03/93/16/559039316.db2.gz RABBKSBVJBVSCT-JOCHJYFZSA-N 2 1 424.589 3.327 50 0 HGAAMP Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082120848 559039317 /nfs/dbraw/zinc/03/93/17/559039317.db2.gz RABBKSBVJBVSCT-JOCHJYFZSA-N 2 1 424.589 3.327 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155619 559041408 /nfs/dbraw/zinc/04/14/08/559041408.db2.gz YFCGPJQKBUBSJX-JOCHJYFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155619 559041409 /nfs/dbraw/zinc/04/14/09/559041409.db2.gz YFCGPJQKBUBSJX-JOCHJYFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ocnc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095505644 559083070 /nfs/dbraw/zinc/08/30/70/559083070.db2.gz GWHPAXRHRUVVJE-GOSISDBHSA-N 2 1 402.514 3.038 50 0 HGAAMP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1)C1CC[NH+](C)CC1 ZINC000011663659 558267298 /nfs/dbraw/zinc/26/72/98/558267298.db2.gz KMNOZNATIIRNRB-IBGZPJMESA-N 2 1 411.594 3.118 50 0 HGAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1)C1CC[NH+](C)CC1 ZINC000011663659 558267301 /nfs/dbraw/zinc/26/73/01/558267301.db2.gz KMNOZNATIIRNRB-IBGZPJMESA-N 2 1 411.594 3.118 50 0 HGAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)C1CC[NH+](C)CC1 ZINC000011711467 558271349 /nfs/dbraw/zinc/27/13/49/558271349.db2.gz MPIBMCVQFIUJCO-NRFANRHFSA-N 2 1 423.605 3.417 50 0 HGAAMP O=C(NCCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011821294 558284598 /nfs/dbraw/zinc/28/45/98/558284598.db2.gz OLDKGFPERXMQMG-HSZRJFAPSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011821294 558284602 /nfs/dbraw/zinc/28/46/02/558284602.db2.gz OLDKGFPERXMQMG-HSZRJFAPSA-N 2 1 406.574 3.117 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(OCCO)c2)CC1 ZINC000011839340 558285970 /nfs/dbraw/zinc/28/59/70/558285970.db2.gz DNZJCNUBIQZIGG-UHFFFAOYSA-N 2 1 412.574 3.453 50 0 HGAAMP O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011840121 558286361 /nfs/dbraw/zinc/28/63/61/558286361.db2.gz WPGUPEGGMLHOTQ-XMMPIXPASA-N 2 1 423.605 3.156 50 0 HGAAMP CCc1ccc(C[N@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)C(C)C)c(OC)c2)nc1 ZINC000011874204 558291934 /nfs/dbraw/zinc/29/19/34/558291934.db2.gz VTTXERGMIROCGG-JOCHJYFZSA-N 2 1 415.578 3.365 50 0 HGAAMP CCc1ccc(C[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)C(C)C)c(OC)c2)nc1 ZINC000011874204 558291935 /nfs/dbraw/zinc/29/19/35/558291935.db2.gz VTTXERGMIROCGG-JOCHJYFZSA-N 2 1 415.578 3.365 50 0 HGAAMP CCc1ccc(C[NH+](C)Cc2ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874204 558291938 /nfs/dbraw/zinc/29/19/38/558291938.db2.gz VTTXERGMIROCGG-JOCHJYFZSA-N 2 1 415.578 3.365 50 0 HGAAMP CCc1ccc(C[NH+](C)Cc2ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874204 558291940 /nfs/dbraw/zinc/29/19/40/558291940.db2.gz VTTXERGMIROCGG-JOCHJYFZSA-N 2 1 415.578 3.365 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]2CCCO2)CC1 ZINC000012093948 558325078 /nfs/dbraw/zinc/32/50/78/558325078.db2.gz GXNXOXRBISENDM-XMMPIXPASA-N 2 1 412.578 3.212 50 0 HGAAMP COCC[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191967 558347932 /nfs/dbraw/zinc/34/79/32/558347932.db2.gz XQBFOCULDBNJMN-QHCPKHFHSA-N 2 1 400.563 3.415 50 0 HGAAMP COCC[NH+](Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191967 558347937 /nfs/dbraw/zinc/34/79/37/558347937.db2.gz XQBFOCULDBNJMN-QHCPKHFHSA-N 2 1 400.563 3.415 50 0 HGAAMP COCC[NH+](Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191967 558347938 /nfs/dbraw/zinc/34/79/38/558347938.db2.gz XQBFOCULDBNJMN-QHCPKHFHSA-N 2 1 400.563 3.415 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]CC2(O)CCCCC2)c1)C1CCCCC1 ZINC000012712332 558453222 /nfs/dbraw/zinc/45/32/22/558453222.db2.gz JRGLUADPVOSUAL-QFIPXVFZSA-N 2 1 404.595 3.476 50 0 HGAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177950 558590994 /nfs/dbraw/zinc/59/09/94/558590994.db2.gz VAXIYHFGOSSRCP-UGKGYDQZSA-N 2 1 404.558 3.442 50 0 HGAAMP CCC(=O)N[C@H]1CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309141 558772299 /nfs/dbraw/zinc/77/22/99/558772299.db2.gz HIYWXYLCDYSCNM-VXKWHMMOSA-N 2 1 422.658 3.308 50 0 HGAAMP O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091873282 559074409 /nfs/dbraw/zinc/07/44/09/559074409.db2.gz ZQHIKRRMCUMPSL-GOSISDBHSA-N 2 1 409.496 3.009 50 0 HGAAMP O[C@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012308019 568464706 /nfs/dbraw/zinc/46/47/06/568464706.db2.gz VBRHNWKGNBLPEP-VWLOTQADSA-N 2 1 417.553 3.212 50 0 HGAAMP COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000225671891 568662704 /nfs/dbraw/zinc/66/27/04/568662704.db2.gz NYHCMLOXEUVQOZ-LJQANCHMSA-N 2 1 406.530 3.198 50 0 HGAAMP COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000225671891 568662705 /nfs/dbraw/zinc/66/27/05/568662705.db2.gz NYHCMLOXEUVQOZ-LJQANCHMSA-N 2 1 406.530 3.198 50 0 HGAAMP O[C@@H](COc1cccc(C[NH2+]CCc2cscn2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000015074707 568749172 /nfs/dbraw/zinc/74/91/72/568749172.db2.gz WYSLUGMSWRJTEF-HSZRJFAPSA-N 2 1 423.582 3.273 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786158 568875615 /nfs/dbraw/zinc/87/56/15/568875615.db2.gz PKOXLRGRQNVLSL-IRXDYDNUSA-N 2 1 407.942 3.024 50 0 HGAAMP O=C1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1CC[NH+]1CCCC1 ZINC000299789926 568875859 /nfs/dbraw/zinc/87/58/59/568875859.db2.gz AHLIGMJXTUCXEL-UHFFFAOYSA-N 2 1 407.558 3.396 50 0 HGAAMP COc1ccc(C[N@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@H](C)C(C)C)cc1 ZINC000036063932 569085625 /nfs/dbraw/zinc/08/56/25/569085625.db2.gz ZZRPVPQRIMSSHA-QGZVFWFLSA-N 2 1 402.539 3.021 50 0 HGAAMP COc1ccc(C[N@@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@H](C)C(C)C)cc1 ZINC000036063932 569085626 /nfs/dbraw/zinc/08/56/26/569085626.db2.gz ZZRPVPQRIMSSHA-QGZVFWFLSA-N 2 1 402.539 3.021 50 0 HGAAMP CC[NH+]1CCN(C(=O)c2cc(OC)ccc2OC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000011843598 558288488 /nfs/dbraw/zinc/28/84/88/558288488.db2.gz ZRIQSDYMWDKWCR-UHFFFAOYSA-N 2 1 415.578 3.259 50 0 HGAAMP COCC[N@@H+](Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191973 558347898 /nfs/dbraw/zinc/34/78/98/558347898.db2.gz XQBFOCULDBNJMN-HSZRJFAPSA-N 2 1 400.563 3.415 50 0 HGAAMP COCC[NH+](Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191973 558347900 /nfs/dbraw/zinc/34/79/00/558347900.db2.gz XQBFOCULDBNJMN-HSZRJFAPSA-N 2 1 400.563 3.415 50 0 HGAAMP COCC[NH+](Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191973 558347903 /nfs/dbraw/zinc/34/79/03/558347903.db2.gz XQBFOCULDBNJMN-HSZRJFAPSA-N 2 1 400.563 3.415 50 0 HGAAMP Cn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000012314141 558377811 /nfs/dbraw/zinc/37/78/11/558377811.db2.gz JIOLPHMDISJHGF-JOCHJYFZSA-N 2 1 400.542 3.452 50 0 HGAAMP CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012453749 558416609 /nfs/dbraw/zinc/41/66/09/558416609.db2.gz PDVRWECEFGTLCO-JOCHJYFZSA-N 2 1 416.562 3.083 50 0 HGAAMP CC[N@H+](Cc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012576895 558431397 /nfs/dbraw/zinc/43/13/97/558431397.db2.gz XZFAXBGQDITLNB-HSZRJFAPSA-N 2 1 414.594 3.446 50 0 HGAAMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012576895 558431399 /nfs/dbraw/zinc/43/13/99/558431399.db2.gz XZFAXBGQDITLNB-HSZRJFAPSA-N 2 1 414.594 3.446 50 0 HGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012576895 558431402 /nfs/dbraw/zinc/43/14/02/558431402.db2.gz XZFAXBGQDITLNB-HSZRJFAPSA-N 2 1 414.594 3.446 50 0 HGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012576895 558431404 /nfs/dbraw/zinc/43/14/04/558431404.db2.gz XZFAXBGQDITLNB-HSZRJFAPSA-N 2 1 414.594 3.446 50 0 HGAAMP CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091893819 559074377 /nfs/dbraw/zinc/07/43/77/559074377.db2.gz DXXFZDZNXSQUPT-OAQYLSRUSA-N 2 1 415.647 3.200 50 0 HGAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](CCc3c[nH]c4ccccc34)CC2)n1C ZINC000096135880 559095628 /nfs/dbraw/zinc/09/56/28/559095628.db2.gz LKDIQMHLVVHBPP-UHFFFAOYSA-N 2 1 403.534 3.272 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000222109011 568514199 /nfs/dbraw/zinc/51/41/99/568514199.db2.gz CILKWMZXRKQKFV-AJSBUHFISA-N 3 1 401.595 3.139 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000222109011 568514201 /nfs/dbraw/zinc/51/42/01/568514201.db2.gz CILKWMZXRKQKFV-AJSBUHFISA-N 3 1 401.595 3.139 50 0 HGAAMP C[NH+](C)CC(C)(C)CNCc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000055060652 569381412 /nfs/dbraw/zinc/38/14/12/569381412.db2.gz NOLDILNYFWVNGV-JOCHJYFZSA-N 2 1 405.627 3.368 50 0 HGAAMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000055060652 569381414 /nfs/dbraw/zinc/38/14/14/569381414.db2.gz NOLDILNYFWVNGV-JOCHJYFZSA-N 3 1 405.627 3.368 50 0 HGAAMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000055060652 569381415 /nfs/dbraw/zinc/38/14/15/569381415.db2.gz NOLDILNYFWVNGV-JOCHJYFZSA-N 3 1 405.627 3.368 50 0 HGAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)CC1 ZINC000020601514 521686534 /nfs/dbraw/zinc/68/65/34/521686534.db2.gz QTEMVENENYINBO-QHCPKHFHSA-N 2 1 401.595 3.044 50 0 HGAAMP O=C(NCCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011665121 558268440 /nfs/dbraw/zinc/26/84/40/558268440.db2.gz MRHQHJGKJVNGSQ-QFIPXVFZSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011665121 558268443 /nfs/dbraw/zinc/26/84/43/558268443.db2.gz MRHQHJGKJVNGSQ-QFIPXVFZSA-N 2 1 406.574 3.117 50 0 HGAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000011819841 558282928 /nfs/dbraw/zinc/28/29/28/558282928.db2.gz ZNGIECZDDRXLOS-HSZRJFAPSA-N 2 1 423.605 3.286 50 0 HGAAMP CCn1ccnc1C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000011819841 558282929 /nfs/dbraw/zinc/28/29/29/558282929.db2.gz ZNGIECZDDRXLOS-HSZRJFAPSA-N 2 1 423.605 3.286 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]2CCCO2)CC1 ZINC000012093944 558325041 /nfs/dbraw/zinc/32/50/41/558325041.db2.gz GXNXOXRBISENDM-DEOSSOPVSA-N 2 1 412.578 3.212 50 0 HGAAMP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012303618 558373006 /nfs/dbraw/zinc/37/30/06/558373006.db2.gz YRBKKOCETNSDKO-JOCHJYFZSA-N 2 1 400.563 3.416 50 0 HGAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2c(F)cccc2F)ccc1OC ZINC000012708533 558450972 /nfs/dbraw/zinc/45/09/72/558450972.db2.gz AJYIXVZADVXGAU-KRWDZBQOSA-N 2 1 408.489 3.345 50 0 HGAAMP CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CC1 ZINC000023358374 558551335 /nfs/dbraw/zinc/55/13/35/558551335.db2.gz FYRMQXSLTFTDAZ-HXUWFJFHSA-N 2 1 420.623 3.082 50 0 HGAAMP CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CC1 ZINC000023358377 558551482 /nfs/dbraw/zinc/55/14/82/558551482.db2.gz FYRMQXSLTFTDAZ-FQEVSTJZSA-N 2 1 420.623 3.082 50 0 HGAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177960 558591050 /nfs/dbraw/zinc/59/10/50/558591050.db2.gz VAXIYHFGOSSRCP-SIKLNZKXSA-N 2 1 404.558 3.442 50 0 HGAAMP CCn1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039478989 558821636 /nfs/dbraw/zinc/82/16/36/558821636.db2.gz GOTONOCSYXZXPJ-HSZRJFAPSA-N 2 1 412.622 3.403 50 0 HGAAMP C[N@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)CC1CC[NH+](C)CC1 ZINC000048139980 558843209 /nfs/dbraw/zinc/84/32/09/558843209.db2.gz OUVWARWKURNCDM-UHFFFAOYSA-N 2 1 403.530 3.273 50 0 HGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C[C@@H]2CCO)CC1 ZINC000019635328 558947474 /nfs/dbraw/zinc/94/74/74/558947474.db2.gz KEXHQTBWYMTNSV-QHCPKHFHSA-N 2 1 417.642 3.199 50 0 HGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C[C@@H]2CCO)CC1 ZINC000019635328 558947478 /nfs/dbraw/zinc/94/74/78/558947478.db2.gz KEXHQTBWYMTNSV-QHCPKHFHSA-N 2 1 417.642 3.199 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083741 559036651 /nfs/dbraw/zinc/03/66/51/559036651.db2.gz WBBCZYYJMTUITQ-QFIPXVFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083741 559036652 /nfs/dbraw/zinc/03/66/52/559036652.db2.gz WBBCZYYJMTUITQ-QFIPXVFZSA-N 2 1 406.574 3.383 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1cccc(CN2CC[NH+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000095528488 559086422 /nfs/dbraw/zinc/08/64/22/559086422.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@@H](O)COc1cccc(CN2CC[N@H+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000095528488 559086423 /nfs/dbraw/zinc/08/64/23/559086423.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@@H](O)COc1cccc(CN2CC[N@@H+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000095528488 559086424 /nfs/dbraw/zinc/08/64/24/559086424.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@H+](Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)CC1(C)C ZINC000095528488 559086425 /nfs/dbraw/zinc/08/64/25/559086425.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@@H+](Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)CC1(C)C ZINC000095528488 559086426 /nfs/dbraw/zinc/08/64/26/559086426.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000095528488 559086427 /nfs/dbraw/zinc/08/64/27/559086427.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000095528488 559086428 /nfs/dbraw/zinc/08/64/28/559086428.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000225671917 568662692 /nfs/dbraw/zinc/66/26/92/568662692.db2.gz NYHCMLOXEUVQOZ-IBGZPJMESA-N 2 1 406.530 3.198 50 0 HGAAMP COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000225671917 568662693 /nfs/dbraw/zinc/66/26/93/568662693.db2.gz NYHCMLOXEUVQOZ-IBGZPJMESA-N 2 1 406.530 3.198 50 0 HGAAMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031662718 568929087 /nfs/dbraw/zinc/92/90/87/568929087.db2.gz IYRDINOVHTXBGE-UHFFFAOYSA-N 2 1 406.574 3.399 50 0 HGAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)CC1 ZINC000020601513 521684826 /nfs/dbraw/zinc/68/48/26/521684826.db2.gz QTEMVENENYINBO-HSZRJFAPSA-N 2 1 401.595 3.044 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000011661024 558264781 /nfs/dbraw/zinc/26/47/81/558264781.db2.gz ZLRZPRDLYRWJKN-DEOSSOPVSA-N 2 1 405.542 3.286 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000011661025 558265102 /nfs/dbraw/zinc/26/51/02/558265102.db2.gz ZLRZPRDLYRWJKN-XMMPIXPASA-N 2 1 405.542 3.286 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2cc(OC)cc(OC)c2)C[C@H]2CCCO2)CC1 ZINC000012075481 558319640 /nfs/dbraw/zinc/31/96/40/558319640.db2.gz MKZGRJRMZYJXBD-OAQYLSRUSA-N 2 1 406.567 3.043 50 0 HGAAMP CN(c1ccccc1)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000020535356 558386033 /nfs/dbraw/zinc/38/60/33/558386033.db2.gz NDIASWKNTXRLCE-SANMLTNESA-N 2 1 422.617 3.417 50 0 HGAAMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505907 558560108 /nfs/dbraw/zinc/56/01/08/558560108.db2.gz UONLGUZLAWTBBK-RTWAWAEBSA-N 2 1 421.626 3.153 50 0 HGAAMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505907 558560111 /nfs/dbraw/zinc/56/01/11/558560111.db2.gz UONLGUZLAWTBBK-RTWAWAEBSA-N 2 1 421.626 3.153 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065001 558707751 /nfs/dbraw/zinc/70/77/51/558707751.db2.gz ZWNDKAMJFBHEGY-OAQYLSRUSA-N 2 1 424.589 3.121 50 0 HGAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015070563 558712501 /nfs/dbraw/zinc/71/25/01/558712501.db2.gz CXKCRSYXFAKIBL-SFHVURJKSA-N 2 1 405.539 3.176 50 0 HGAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015070563 558712502 /nfs/dbraw/zinc/71/25/02/558712502.db2.gz CXKCRSYXFAKIBL-SFHVURJKSA-N 2 1 405.539 3.176 50 0 HGAAMP Cc1ccsc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099584 559037933 /nfs/dbraw/zinc/03/79/33/559037933.db2.gz XEYFGXJMIIGUHK-IBGZPJMESA-N 2 1 412.603 3.444 50 0 HGAAMP Cc1ccsc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099584 559037935 /nfs/dbraw/zinc/03/79/35/559037935.db2.gz XEYFGXJMIIGUHK-IBGZPJMESA-N 2 1 412.603 3.444 50 0 HGAAMP C[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997793 559270304 /nfs/dbraw/zinc/27/03/04/559270304.db2.gz KDXKMRRKZUJCJD-DEOSSOPVSA-N 2 1 410.558 3.095 50 0 HGAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997793 559270307 /nfs/dbraw/zinc/27/03/07/559270307.db2.gz KDXKMRRKZUJCJD-DEOSSOPVSA-N 2 1 410.558 3.095 50 0 HGAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997793 559270309 /nfs/dbraw/zinc/27/03/09/559270309.db2.gz KDXKMRRKZUJCJD-DEOSSOPVSA-N 2 1 410.558 3.095 50 0 HGAAMP O=C(NCCC[N@@H+]1CCCC[C@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000670450096 568925984 /nfs/dbraw/zinc/92/59/84/568925984.db2.gz QBTCXXSIFLMTGW-VWLOTQADSA-N 2 1 421.585 3.212 50 0 HGAAMP O=C(NCCC[NH+]1CCCC[C@H]1CO)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000670450096 568925986 /nfs/dbraw/zinc/92/59/86/568925986.db2.gz QBTCXXSIFLMTGW-VWLOTQADSA-N 2 1 421.585 3.212 50 0 HGAAMP O=C(NCCC[NH+]1CCCC[C@H]1CO)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000670450096 568925988 /nfs/dbraw/zinc/92/59/88/568925988.db2.gz QBTCXXSIFLMTGW-VWLOTQADSA-N 2 1 421.585 3.212 50 0 HGAAMP CCC[C@@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@H+]1CCOC ZINC000222183066 569039787 /nfs/dbraw/zinc/03/97/87/569039787.db2.gz VMOHIQYDZLSLFW-LEWJYISDSA-N 2 1 416.610 3.453 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000239760931 569054432 /nfs/dbraw/zinc/05/44/32/569054432.db2.gz CILKWMZXRKQKFV-UEVCKROQSA-N 2 1 401.595 3.139 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000239760931 569054433 /nfs/dbraw/zinc/05/44/33/569054433.db2.gz CILKWMZXRKQKFV-UEVCKROQSA-N 2 1 401.595 3.139 50 0 HGAAMP COC(=O)CCCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012301894 558371508 /nfs/dbraw/zinc/37/15/08/558371508.db2.gz CJIQLOZVFBKPGY-OAQYLSRUSA-N 2 1 421.626 3.299 50 0 HGAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012306823 558375670 /nfs/dbraw/zinc/37/56/70/558375670.db2.gz DSZHJDDZIHOWON-UHFFFAOYSA-N 2 1 414.579 3.487 50 0 HGAAMP COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012314667 558378006 /nfs/dbraw/zinc/37/80/06/558378006.db2.gz UCUSIHQMBFEOKF-JOCHJYFZSA-N 2 1 420.594 3.310 50 0 HGAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012314667 558378007 /nfs/dbraw/zinc/37/80/07/558378007.db2.gz UCUSIHQMBFEOKF-JOCHJYFZSA-N 2 1 420.594 3.310 50 0 HGAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012314667 558378009 /nfs/dbraw/zinc/37/80/09/558378009.db2.gz UCUSIHQMBFEOKF-JOCHJYFZSA-N 2 1 420.594 3.310 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CC1(O)CCCCC1)C1CCCCC1 ZINC000012386480 558395392 /nfs/dbraw/zinc/39/53/92/558395392.db2.gz FNDBZKKTYUKRKN-QFIPXVFZSA-N 2 1 404.595 3.476 50 0 HGAAMP CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014743197 558667856 /nfs/dbraw/zinc/66/78/56/558667856.db2.gz KJHDPBGXFTYZPC-OAQYLSRUSA-N 2 1 423.605 3.106 50 0 HGAAMP Cc1ccsc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099585 559038108 /nfs/dbraw/zinc/03/81/08/559038108.db2.gz XEYFGXJMIIGUHK-LJQANCHMSA-N 2 1 412.603 3.444 50 0 HGAAMP Cc1ccsc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099585 559038109 /nfs/dbraw/zinc/03/81/09/559038109.db2.gz XEYFGXJMIIGUHK-LJQANCHMSA-N 2 1 412.603 3.444 50 0 HGAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)C1CC[NH+](C)CC1 ZINC000011661952 559127004 /nfs/dbraw/zinc/12/70/04/559127004.db2.gz PTDDOGBFYNNDQJ-IBGZPJMESA-N 2 1 415.578 3.003 50 0 HGAAMP O[C@H](COc1cccc(C[NH2+]Cc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000011937826 559268757 /nfs/dbraw/zinc/26/87/57/559268757.db2.gz HHVOYGQPYSNDEE-DEOSSOPVSA-N 2 1 403.526 3.169 50 0 HGAAMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000031663798 568837681 /nfs/dbraw/zinc/83/76/81/568837681.db2.gz PVEPWNGYLNRJRX-GOSISDBHSA-N 2 1 412.603 3.459 50 0 HGAAMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000031663798 568837684 /nfs/dbraw/zinc/83/76/84/568837684.db2.gz PVEPWNGYLNRJRX-GOSISDBHSA-N 2 1 412.603 3.459 50 0 HGAAMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000058010263 568875299 /nfs/dbraw/zinc/87/52/99/568875299.db2.gz IOMHXGCVADPHMV-XMMPIXPASA-N 2 1 406.574 3.346 50 0 HGAAMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000058010263 568875300 /nfs/dbraw/zinc/87/53/00/568875300.db2.gz IOMHXGCVADPHMV-XMMPIXPASA-N 2 1 406.574 3.346 50 0 HGAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004062997 568881560 /nfs/dbraw/zinc/88/15/60/568881560.db2.gz GQWCDWWREXSFDW-VEMNPONZSA-N 2 1 416.606 3.222 50 0 biogenic HGAAMP C[C@@H]1C[N@@H+](CCC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000011842024 568987204 /nfs/dbraw/zinc/98/72/04/568987204.db2.gz FGSJMNRARDTAIL-NFBKMPQASA-N 2 1 422.573 3.398 50 0 HGAAMP CCc1ccc(C[N@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)C(C)C)c(OC)c2)nc1 ZINC000011874205 558291890 /nfs/dbraw/zinc/29/18/90/558291890.db2.gz VTTXERGMIROCGG-QFIPXVFZSA-N 2 1 415.578 3.365 50 0 HGAAMP CCc1ccc(C[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)C(C)C)c(OC)c2)nc1 ZINC000011874205 558291892 /nfs/dbraw/zinc/29/18/92/558291892.db2.gz VTTXERGMIROCGG-QFIPXVFZSA-N 2 1 415.578 3.365 50 0 HGAAMP CCc1ccc(C[NH+](C)Cc2ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874205 558291893 /nfs/dbraw/zinc/29/18/93/558291893.db2.gz VTTXERGMIROCGG-QFIPXVFZSA-N 2 1 415.578 3.365 50 0 HGAAMP CCc1ccc(C[NH+](C)Cc2ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874205 558291895 /nfs/dbraw/zinc/29/18/95/558291895.db2.gz VTTXERGMIROCGG-QFIPXVFZSA-N 2 1 415.578 3.365 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2CCCC2)C1 ZINC000011879603 558294142 /nfs/dbraw/zinc/29/41/42/558294142.db2.gz ZAHZDUBFDVLZFL-HXUWFJFHSA-N 2 1 401.595 3.488 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000012076411 558320128 /nfs/dbraw/zinc/32/01/28/558320128.db2.gz DBQRMWDOYJHGMJ-HSZRJFAPSA-N 2 1 412.574 3.343 50 0 HGAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000012372902 558390323 /nfs/dbraw/zinc/39/03/23/558390323.db2.gz XFVIDQOLXOKAGY-JOCHJYFZSA-N 2 1 418.578 3.076 50 0 HGAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012387412 558396143 /nfs/dbraw/zinc/39/61/43/558396143.db2.gz ZFHZYSRKLULEGP-FQEVSTJZSA-N 2 1 408.608 3.248 50 0 HGAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012387412 558396149 /nfs/dbraw/zinc/39/61/49/558396149.db2.gz ZFHZYSRKLULEGP-FQEVSTJZSA-N 2 1 408.608 3.248 50 0 HGAAMP Cc1nn(C)cc1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012583311 558433400 /nfs/dbraw/zinc/43/34/00/558433400.db2.gz HHKZLKKJFGKLDV-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012583311 558433404 /nfs/dbraw/zinc/43/34/04/558433404.db2.gz HHKZLKKJFGKLDV-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012583311 558433408 /nfs/dbraw/zinc/43/34/08/558433408.db2.gz HHKZLKKJFGKLDV-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012583311 558433411 /nfs/dbraw/zinc/43/34/11/558433411.db2.gz HHKZLKKJFGKLDV-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP C[N@@H+](Cc1ccc2nonc2c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014958575 558683173 /nfs/dbraw/zinc/68/31/73/558683173.db2.gz YBYSRDDDEJNUGY-FQEVSTJZSA-N 2 1 410.518 3.080 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccncc3)CC2)CC1 ZINC000014978899 558690482 /nfs/dbraw/zinc/69/04/82/558690482.db2.gz QNRUEHQWXCLJET-UHFFFAOYSA-N 2 1 420.601 3.425 50 0 HGAAMP CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064856 558707770 /nfs/dbraw/zinc/70/77/70/558707770.db2.gz QIJFHFKPQQNKMC-JOCHJYFZSA-N 2 1 406.574 3.417 50 0 HGAAMP CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064856 558707772 /nfs/dbraw/zinc/70/77/72/558707772.db2.gz QIJFHFKPQQNKMC-JOCHJYFZSA-N 2 1 406.574 3.417 50 0 HGAAMP O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015065065 558708059 /nfs/dbraw/zinc/70/80/59/558708059.db2.gz SFYKTZPDFOFJOO-XMMPIXPASA-N 2 1 406.574 3.465 50 0 HGAAMP C[C@H]1C[N@@H+](CCC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000039354753 558820199 /nfs/dbraw/zinc/82/01/99/558820199.db2.gz FGSJMNRARDTAIL-REWPJTCUSA-N 2 1 422.573 3.398 50 0 HGAAMP O=C(NCc1nccs1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082098828 559037910 /nfs/dbraw/zinc/03/79/10/559037910.db2.gz FNUFBQBFHLIIOP-FQEVSTJZSA-N 2 1 412.603 3.178 50 0 HGAAMP O=C(NCc1nccs1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082098828 559037911 /nfs/dbraw/zinc/03/79/11/559037911.db2.gz FNUFBQBFHLIIOP-FQEVSTJZSA-N 2 1 412.603 3.178 50 0 HGAAMP Cc1ccnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000082128172 559039998 /nfs/dbraw/zinc/03/99/98/559039998.db2.gz GVJRZZDRGZSQTC-HSZRJFAPSA-N 2 1 420.601 3.425 50 0 HGAAMP Cc1ccnc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000082128172 559039999 /nfs/dbraw/zinc/03/99/99/559039999.db2.gz GVJRZZDRGZSQTC-HSZRJFAPSA-N 2 1 420.601 3.425 50 0 HGAAMP O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138854 559040669 /nfs/dbraw/zinc/04/06/69/559040669.db2.gz MYKVZVAKUWSHTC-JOCHJYFZSA-N 2 1 409.574 3.357 50 0 HGAAMP O=C(NCCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138854 559040670 /nfs/dbraw/zinc/04/06/70/559040670.db2.gz MYKVZVAKUWSHTC-JOCHJYFZSA-N 2 1 409.574 3.357 50 0 HGAAMP O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091873279 559074323 /nfs/dbraw/zinc/07/43/23/559074323.db2.gz ZQHIKRRMCUMPSL-SFHVURJKSA-N 2 1 409.496 3.009 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1ccccc1CN1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000108265047 559167124 /nfs/dbraw/zinc/16/71/24/559167124.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@H](O)COc1ccccc1CN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000108265047 559167125 /nfs/dbraw/zinc/16/71/25/559167125.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@H](O)COc1ccccc1CN1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000108265047 559167126 /nfs/dbraw/zinc/16/71/26/559167126.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@H+](Cc2ccccc2OC[C@@H](O)C[NH+](C)C2CCCCC2)CC1(C)C ZINC000108265047 559167127 /nfs/dbraw/zinc/16/71/27/559167127.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@@H+](Cc2ccccc2OC[C@@H](O)C[NH+](C)C2CCCCC2)CC1(C)C ZINC000108265047 559167128 /nfs/dbraw/zinc/16/71/28/559167128.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC1(C)C ZINC000108265047 559167130 /nfs/dbraw/zinc/16/71/30/559167130.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000108265047 559167131 /nfs/dbraw/zinc/16/71/31/559167131.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714725 /nfs/dbraw/zinc/71/47/25/568714725.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714726 /nfs/dbraw/zinc/71/47/26/568714726.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714727 /nfs/dbraw/zinc/71/47/27/568714727.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714728 /nfs/dbraw/zinc/71/47/28/568714728.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000031663795 568837631 /nfs/dbraw/zinc/83/76/31/568837631.db2.gz PVEPWNGYLNRJRX-SFHVURJKSA-N 2 1 412.603 3.459 50 0 HGAAMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000031663795 568837632 /nfs/dbraw/zinc/83/76/32/568837632.db2.gz PVEPWNGYLNRJRX-SFHVURJKSA-N 2 1 412.603 3.459 50 0 HGAAMP COCC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000012750287 568940219 /nfs/dbraw/zinc/94/02/19/568940219.db2.gz HKUDDLQYVXJWRU-RUZDIDTESA-N 2 1 424.585 3.343 50 0 HGAAMP CC[N@H+]1CC[C@@H](CN(C)C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)C1 ZINC000011816882 558279979 /nfs/dbraw/zinc/27/99/79/558279979.db2.gz CEDFXFNEVFRCIT-IBGZPJMESA-N 2 1 417.594 3.361 50 0 HGAAMP O=C(NCCc1ccncc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011820575 558284032 /nfs/dbraw/zinc/28/40/32/558284032.db2.gz DXYFXJGCCZNAHE-QHCPKHFHSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCCc1ccncc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011820575 558284034 /nfs/dbraw/zinc/28/40/34/558284034.db2.gz DXYFXJGCCZNAHE-QHCPKHFHSA-N 2 1 406.574 3.117 50 0 HGAAMP COc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1OCc1ccccc1 ZINC000019889861 558302739 /nfs/dbraw/zinc/30/27/39/558302739.db2.gz RCBGFIYSSQBLJL-UHFFFAOYSA-N 2 1 409.574 3.486 50 0 HGAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(OCCO)cc3)CC2)cc1 ZINC000012206706 558352971 /nfs/dbraw/zinc/35/29/71/558352971.db2.gz JDHYFTMYUNSQAD-UHFFFAOYSA-N 2 1 412.574 3.453 50 0 HGAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CSCCSC2)cc1 ZINC000012301978 558371544 /nfs/dbraw/zinc/37/15/44/558371544.db2.gz NNPZXYCXRCYNIX-IBGZPJMESA-N 2 1 402.589 3.432 50 0 HGAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CSCCSC2)cc1 ZINC000012301978 558371547 /nfs/dbraw/zinc/37/15/47/558371547.db2.gz NNPZXYCXRCYNIX-IBGZPJMESA-N 2 1 402.589 3.432 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CC1(O)CCCCC1)C1CCCCC1 ZINC000012386479 558395272 /nfs/dbraw/zinc/39/52/72/558395272.db2.gz FNDBZKKTYUKRKN-JOCHJYFZSA-N 2 1 404.595 3.476 50 0 HGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020905809 558420678 /nfs/dbraw/zinc/42/06/78/558420678.db2.gz YBIWAEZTFIKQNX-NRFANRHFSA-N 2 1 413.528 3.447 50 0 HGAAMP Cn1cc(CC[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+](C)C2CCCCC2)cn1 ZINC000012574329 558430410 /nfs/dbraw/zinc/43/04/10/558430410.db2.gz CUMGLYJNEVRSBM-QHCPKHFHSA-N 2 1 414.594 3.099 50 0 HGAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)cn1 ZINC000012574329 558430412 /nfs/dbraw/zinc/43/04/12/558430412.db2.gz CUMGLYJNEVRSBM-QHCPKHFHSA-N 2 1 414.594 3.099 50 0 HGAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cn1 ZINC000012574329 558430415 /nfs/dbraw/zinc/43/04/15/558430415.db2.gz CUMGLYJNEVRSBM-QHCPKHFHSA-N 2 1 414.594 3.099 50 0 HGAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1OC ZINC000012713206 558453762 /nfs/dbraw/zinc/45/37/62/558453762.db2.gz VPRZXEACHZZLIW-GOSISDBHSA-N 2 1 405.539 3.178 50 0 HGAAMP CCc1ccc(C[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)cc1 ZINC000012836429 558478339 /nfs/dbraw/zinc/47/83/39/558478339.db2.gz IYPYDFCDURZAJN-XMMPIXPASA-N 2 1 412.574 3.077 50 0 HGAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1 ZINC000014957423 558682911 /nfs/dbraw/zinc/68/29/11/558682911.db2.gz CSBIKIDPRYRZDZ-SFTDATJTSA-N 2 1 419.541 3.378 50 0 HGAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccc(F)c1 ZINC000014957423 558682914 /nfs/dbraw/zinc/68/29/14/558682914.db2.gz CSBIKIDPRYRZDZ-SFTDATJTSA-N 2 1 419.541 3.378 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCOc1cccnc1)C1CCCCC1 ZINC000015072409 558713801 /nfs/dbraw/zinc/71/38/01/558713801.db2.gz RHCXDJYXBHZSNP-JOCHJYFZSA-N 2 1 413.562 3.254 50 0 HGAAMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067975609 558862483 /nfs/dbraw/zinc/86/24/83/558862483.db2.gz IKWYCGCLKLZZPR-OAQYLSRUSA-N 2 1 410.562 3.296 50 0 HGAAMP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067975609 558862485 /nfs/dbraw/zinc/86/24/85/558862485.db2.gz IKWYCGCLKLZZPR-OAQYLSRUSA-N 2 1 410.562 3.296 50 0 HGAAMP COc1cc(OC)cc(C(=O)NCCC[N@H+](C)CCC[NH+](C)Cc2ccccc2)c1 ZINC000059181912 558932279 /nfs/dbraw/zinc/93/22/79/558932279.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 2 1 413.562 3.278 50 0 HGAAMP COc1cc(OC)cc(C(=O)NCCC[N@@H+](C)CCC[NH+](C)Cc2ccccc2)c1 ZINC000059181912 558932281 /nfs/dbraw/zinc/93/22/81/558932281.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 2 1 413.562 3.278 50 0 HGAAMP COc1cc(OC)cc(C(=O)NCCC[NH+](C)CCC[N@H+](C)Cc2ccccc2)c1 ZINC000059181912 558932283 /nfs/dbraw/zinc/93/22/83/558932283.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 2 1 413.562 3.278 50 0 HGAAMP COc1cc(OC)cc(C(=O)NCCC[NH+](C)CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000059181912 558932285 /nfs/dbraw/zinc/93/22/85/558932285.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 2 1 413.562 3.278 50 0 HGAAMP COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000015066582 568749049 /nfs/dbraw/zinc/74/90/49/568749049.db2.gz PIHJJVKQLMVJMO-JOCHJYFZSA-N 2 1 420.594 3.169 50 0 HGAAMP C[N@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000006083735 568996047 /nfs/dbraw/zinc/99/60/47/568996047.db2.gz QNHZXTRGJXXAGI-JOCHJYFZSA-N 2 1 404.501 3.458 50 0 HGAAMP C[N@@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000006083735 568996049 /nfs/dbraw/zinc/99/60/49/568996049.db2.gz QNHZXTRGJXXAGI-JOCHJYFZSA-N 2 1 404.501 3.458 50 0 HGAAMP O=c1cc(C[NH+]2CCCCC2)nc(N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000035926891 569066487 /nfs/dbraw/zinc/06/64/87/569066487.db2.gz XJKIEQNSTFKUHV-UHFFFAOYSA-N 2 1 415.969 3.122 50 0 HGAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000012058569 558316911 /nfs/dbraw/zinc/31/69/11/558316911.db2.gz FTODJFGJQSJMCE-SFHVURJKSA-N 2 1 415.578 3.257 50 0 HGAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000012058569 558316914 /nfs/dbraw/zinc/31/69/14/558316914.db2.gz FTODJFGJQSJMCE-SFHVURJKSA-N 2 1 415.578 3.257 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012298392 558368492 /nfs/dbraw/zinc/36/84/92/558368492.db2.gz HDYIRPYELWSIEC-DEOSSOPVSA-N 2 1 423.605 3.465 50 0 HGAAMP COC(=O)CCCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012301895 558371491 /nfs/dbraw/zinc/37/14/91/558371491.db2.gz CJIQLOZVFBKPGY-NRFANRHFSA-N 2 1 421.626 3.299 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012320814 558382518 /nfs/dbraw/zinc/38/25/18/558382518.db2.gz PMGALUIDRCRBQE-QFIPXVFZSA-N 2 1 423.605 3.465 50 0 HGAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000012372903 558390333 /nfs/dbraw/zinc/39/03/33/558390333.db2.gz XFVIDQOLXOKAGY-QFIPXVFZSA-N 2 1 418.578 3.076 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]2CCCO2)CC1 ZINC000012434093 558408140 /nfs/dbraw/zinc/40/81/40/558408140.db2.gz OILDEJVXXZIQEO-HSZRJFAPSA-N 2 1 412.578 3.416 50 0 HGAAMP Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012478303 558423211 /nfs/dbraw/zinc/42/32/11/558423211.db2.gz XBXPBXMKECDDQO-JOCHJYFZSA-N 2 1 414.594 3.363 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccc(C)n2)C1 ZINC000012717101 558455724 /nfs/dbraw/zinc/45/57/24/558455724.db2.gz LAQDHARXTNQCBS-OAQYLSRUSA-N 2 1 424.589 3.315 50 0 HGAAMP COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012744498 558457663 /nfs/dbraw/zinc/45/76/63/558457663.db2.gz QUHJFSNWGAZMSY-HXUWFJFHSA-N 2 1 408.489 3.343 50 0 HGAAMP CCn1cc(CNC(=O)C2CC[NH+](C3CC[NH+](Cc4ccccc4C)CC3)CC2)cn1 ZINC000012745036 558457890 /nfs/dbraw/zinc/45/78/90/558457890.db2.gz PPAXXXULZSLKLH-UHFFFAOYSA-N 2 1 423.605 3.204 50 0 HGAAMP COC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000014964469 558685370 /nfs/dbraw/zinc/68/53/70/558685370.db2.gz BARYESJIWULGLU-HSZRJFAPSA-N 2 1 410.558 3.095 50 0 HGAAMP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064857 558707827 /nfs/dbraw/zinc/70/78/27/558707827.db2.gz QIJFHFKPQQNKMC-QFIPXVFZSA-N 2 1 406.574 3.417 50 0 HGAAMP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064857 558707830 /nfs/dbraw/zinc/70/78/30/558707830.db2.gz QIJFHFKPQQNKMC-QFIPXVFZSA-N 2 1 406.574 3.417 50 0 HGAAMP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000015073245 558714289 /nfs/dbraw/zinc/71/42/89/558714289.db2.gz NVBQNHPPQBNHHE-HXUWFJFHSA-N 2 1 412.553 3.445 50 0 HGAAMP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)c1C ZINC000039399344 558820866 /nfs/dbraw/zinc/82/08/66/558820866.db2.gz WPXQQEWVAWNXRX-HSZRJFAPSA-N 2 1 403.611 3.053 50 0 HGAAMP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082100084 559038104 /nfs/dbraw/zinc/03/81/04/559038104.db2.gz TWJIYHPHJFSBFM-HSZRJFAPSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082100084 559038105 /nfs/dbraw/zinc/03/81/05/559038105.db2.gz TWJIYHPHJFSBFM-HSZRJFAPSA-N 2 1 406.574 3.117 50 0 HGAAMP Cn1cccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095505358 559083087 /nfs/dbraw/zinc/08/30/87/559083087.db2.gz CCDJGBWSWWIBGT-LJQANCHMSA-N 2 1 400.542 3.080 50 0 HGAAMP COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095523550 559085610 /nfs/dbraw/zinc/08/56/10/559085610.db2.gz NOSDYEUDXRAJED-LJQANCHMSA-N 2 1 402.560 3.151 50 0 HGAAMP COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095523550 559085611 /nfs/dbraw/zinc/08/56/11/559085611.db2.gz NOSDYEUDXRAJED-LJQANCHMSA-N 2 1 402.560 3.151 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012002005 559270713 /nfs/dbraw/zinc/27/07/13/559270713.db2.gz CZQOAGSNSGKIJA-QHCPKHFHSA-N 2 1 414.594 3.238 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000239760932 569054558 /nfs/dbraw/zinc/05/45/58/569054558.db2.gz CILKWMZXRKQKFV-WTIAFYNJSA-N 2 1 401.595 3.139 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000239760932 569054559 /nfs/dbraw/zinc/05/45/59/569054559.db2.gz CILKWMZXRKQKFV-WTIAFYNJSA-N 2 1 401.595 3.139 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000011821115 558284558 /nfs/dbraw/zinc/28/45/58/558284558.db2.gz XKUNAGSZHQOAQL-QHCPKHFHSA-N 2 1 421.541 3.122 50 0 HGAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012387413 558396087 /nfs/dbraw/zinc/39/60/87/558396087.db2.gz ZFHZYSRKLULEGP-HXUWFJFHSA-N 2 1 408.608 3.248 50 0 HGAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012387413 558396090 /nfs/dbraw/zinc/39/60/90/558396090.db2.gz ZFHZYSRKLULEGP-HXUWFJFHSA-N 2 1 408.608 3.248 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000020727311 558405210 /nfs/dbraw/zinc/40/52/10/558405210.db2.gz LFTNETGJQGUHIA-UHFFFAOYSA-N 2 1 401.620 3.247 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012585561 558433880 /nfs/dbraw/zinc/43/38/80/558433880.db2.gz WXXLUTNSXAPKRQ-IBGZPJMESA-N 2 1 403.567 3.161 50 0 HGAAMP CC[N@@H+](CCn1cccn1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012761606 558461182 /nfs/dbraw/zinc/46/11/82/558461182.db2.gz SYLOHLFJUOEJLK-HSZRJFAPSA-N 2 1 414.594 3.409 50 0 HGAAMP CC[NH+](CCn1cccn1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012761606 558461183 /nfs/dbraw/zinc/46/11/83/558461183.db2.gz SYLOHLFJUOEJLK-HSZRJFAPSA-N 2 1 414.594 3.409 50 0 HGAAMP CC[NH+](CCn1cccn1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012761606 558461184 /nfs/dbraw/zinc/46/11/84/558461184.db2.gz SYLOHLFJUOEJLK-HSZRJFAPSA-N 2 1 414.594 3.409 50 0 HGAAMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc43)C2)CC1 ZINC000023362914 558552471 /nfs/dbraw/zinc/55/24/71/558552471.db2.gz NEBKXUILVUADMW-NOZRDPDXSA-N 2 1 422.617 3.381 50 0 HGAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014755469 558671833 /nfs/dbraw/zinc/67/18/33/558671833.db2.gz WYQRVLAHTPLTTH-LEWJYISDSA-N 2 1 413.537 3.021 50 0 HGAAMP CC[N@H+](C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955744 558682483 /nfs/dbraw/zinc/68/24/83/558682483.db2.gz VFDSLGOGCBSIRD-QFIPXVFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[N@@H+](C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955744 558682485 /nfs/dbraw/zinc/68/24/85/558682485.db2.gz VFDSLGOGCBSIRD-QFIPXVFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[NH+](C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955744 558682489 /nfs/dbraw/zinc/68/24/89/558682489.db2.gz VFDSLGOGCBSIRD-QFIPXVFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[NH+](C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955744 558682490 /nfs/dbraw/zinc/68/24/90/558682490.db2.gz VFDSLGOGCBSIRD-QFIPXVFZSA-N 2 1 401.595 3.283 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000015072567 558713747 /nfs/dbraw/zinc/71/37/47/558713747.db2.gz QRYFDILJEQEAEU-FQEVSTJZSA-N 2 1 405.558 3.427 50 0 HGAAMP COc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015073029 558713983 /nfs/dbraw/zinc/71/39/83/558713983.db2.gz DGZPMULAIWOWSU-LJQANCHMSA-N 2 1 421.607 3.181 50 0 HGAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)on1 ZINC000082092669 559037083 /nfs/dbraw/zinc/03/70/83/559037083.db2.gz YLGQQFPJSOXTNR-NRFANRHFSA-N 2 1 410.562 3.018 50 0 HGAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)on1 ZINC000082092669 559037085 /nfs/dbraw/zinc/03/70/85/559037085.db2.gz YLGQQFPJSOXTNR-NRFANRHFSA-N 2 1 410.562 3.018 50 0 HGAAMP O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138853 559040673 /nfs/dbraw/zinc/04/06/73/559040673.db2.gz MYKVZVAKUWSHTC-QFIPXVFZSA-N 2 1 409.574 3.357 50 0 HGAAMP O=C(NCCc1ccco1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138853 559040674 /nfs/dbraw/zinc/04/06/74/559040674.db2.gz MYKVZVAKUWSHTC-QFIPXVFZSA-N 2 1 409.574 3.357 50 0 HGAAMP COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095523551 559085606 /nfs/dbraw/zinc/08/56/06/559085606.db2.gz NOSDYEUDXRAJED-IBGZPJMESA-N 2 1 402.560 3.151 50 0 HGAAMP COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095523551 559085607 /nfs/dbraw/zinc/08/56/07/559085607.db2.gz NOSDYEUDXRAJED-IBGZPJMESA-N 2 1 402.560 3.151 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1cccc(CN2CC[NH+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000108274924 559167114 /nfs/dbraw/zinc/16/71/14/559167114.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@H](O)COc1cccc(CN2CC[N@H+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000108274924 559167115 /nfs/dbraw/zinc/16/71/15/559167115.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@H](O)COc1cccc(CN2CC[N@@H+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000108274924 559167116 /nfs/dbraw/zinc/16/71/16/559167116.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@H+](Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)CC1(C)C ZINC000108274924 559167117 /nfs/dbraw/zinc/16/71/17/559167117.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@@H+](Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)CC1(C)C ZINC000108274924 559167118 /nfs/dbraw/zinc/16/71/18/559167118.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000108274924 559167119 /nfs/dbraw/zinc/16/71/19/559167119.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1(C)C ZINC000108274924 559167120 /nfs/dbraw/zinc/16/71/20/559167120.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](CC)Cc1ccc2c(c1)OCCO2)c1ccco1 ZINC000053094172 568935013 /nfs/dbraw/zinc/93/50/13/568935013.db2.gz HPDHDWUQSUBRQT-LJQANCHMSA-N 2 1 415.534 3.072 50 0 HGAAMP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](CC)Cc1ccc2c(c1)OCCO2)c1ccco1 ZINC000053094172 568935015 /nfs/dbraw/zinc/93/50/15/568935015.db2.gz HPDHDWUQSUBRQT-LJQANCHMSA-N 2 1 415.534 3.072 50 0 HGAAMP CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012315198 132358331 /nfs/dbraw/zinc/35/83/31/132358331.db2.gz MBWFXURBBNPPHU-QHCPKHFHSA-N 2 1 424.564 3.314 50 0 HGAAMP CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012315198 132358332 /nfs/dbraw/zinc/35/83/32/132358332.db2.gz MBWFXURBBNPPHU-QHCPKHFHSA-N 2 1 424.564 3.314 50 0 HGAAMP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)cc2)CC1 ZINC000034668096 557361363 /nfs/dbraw/zinc/36/13/63/557361363.db2.gz XKSKZQNSCXWRPW-UHFFFAOYSA-N 2 1 420.601 3.403 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC(F)(F)F ZINC000011661580 558265570 /nfs/dbraw/zinc/26/55/70/558265570.db2.gz NGWFSXRHDUXMPD-SFHVURJKSA-N 2 1 407.521 3.000 50 0 HGAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)C1CC[NH+](C)CC1 ZINC000011711478 558271375 /nfs/dbraw/zinc/27/13/75/558271375.db2.gz MPIBMCVQFIUJCO-OAQYLSRUSA-N 2 1 423.605 3.417 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CCCn1cccn1)C1CCCCC1 ZINC000012570941 558429018 /nfs/dbraw/zinc/42/90/18/558429018.db2.gz UGUMGTYJWYXGAO-QFIPXVFZSA-N 2 1 400.567 3.067 50 0 HGAAMP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012571228 558429091 /nfs/dbraw/zinc/42/90/91/558429091.db2.gz NIYOVWGDVQIZKQ-OAQYLSRUSA-N 2 1 420.594 3.310 50 0 HGAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000012703890 558448579 /nfs/dbraw/zinc/44/85/79/558448579.db2.gz SPCRNXVMZSYUQQ-UHFFFAOYSA-N 2 1 409.578 3.141 50 0 HGAAMP COCC1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012762850 558461282 /nfs/dbraw/zinc/46/12/82/558461282.db2.gz VRDOOSDBTRQNTD-DEOSSOPVSA-N 2 1 412.574 3.417 50 0 HGAAMP COCC[N@H+](Cc1ccc(CO)o1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014952263 558681550 /nfs/dbraw/zinc/68/15/50/558681550.db2.gz KNEMLWRGPYRXCE-UHFFFAOYSA-N 2 1 402.535 3.141 50 0 HGAAMP CN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114559 559039002 /nfs/dbraw/zinc/03/90/02/559039002.db2.gz CSPNHTMKEAVIEQ-JOCHJYFZSA-N 2 1 413.606 3.043 50 0 HGAAMP CN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114559 559039004 /nfs/dbraw/zinc/03/90/04/559039004.db2.gz CSPNHTMKEAVIEQ-JOCHJYFZSA-N 2 1 413.606 3.043 50 0 HGAAMP CCC[C@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@H+]1CCOC ZINC000222183114 569039766 /nfs/dbraw/zinc/03/97/66/569039766.db2.gz VMOHIQYDZLSLFW-SFTDATJTSA-N 2 1 416.610 3.453 50 0 HGAAMP O=C(NCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011816659 558280014 /nfs/dbraw/zinc/28/00/14/558280014.db2.gz YRHDHHNMVDMXQF-OAQYLSRUSA-N 2 1 407.558 3.240 50 0 HGAAMP O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011840124 558286465 /nfs/dbraw/zinc/28/64/65/558286465.db2.gz WPGUPEGGMLHOTQ-DEOSSOPVSA-N 2 1 423.605 3.156 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2CCCC2)C1 ZINC000011879604 558294322 /nfs/dbraw/zinc/29/43/22/558294322.db2.gz ZAHZDUBFDVLZFL-FQEVSTJZSA-N 2 1 401.595 3.488 50 0 HGAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1OC ZINC000012298679 558368686 /nfs/dbraw/zinc/36/86/86/558368686.db2.gz FFMNQJASIBCFAZ-SFHVURJKSA-N 2 1 408.489 3.345 50 0 HGAAMP O=C(CC[C@H]1CCC[N@H+](CCCn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012386038 558394746 /nfs/dbraw/zinc/39/47/46/558394746.db2.gz OVGYMZPLVPTRBU-XMMPIXPASA-N 2 1 423.605 3.110 50 0 HGAAMP O=C(CC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012386038 558394750 /nfs/dbraw/zinc/39/47/50/558394750.db2.gz OVGYMZPLVPTRBU-XMMPIXPASA-N 2 1 423.605 3.110 50 0 HGAAMP CCn1cc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)cn1 ZINC000012431382 558406028 /nfs/dbraw/zinc/40/60/28/558406028.db2.gz YLDGXUBGDVFKKZ-JOCHJYFZSA-N 2 1 400.567 3.197 50 0 HGAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441699 558412326 /nfs/dbraw/zinc/41/23/26/558412326.db2.gz DHBAUQQQEMQLKY-QGZVFWFLSA-N 2 1 404.555 3.198 50 0 HGAAMP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423905 /nfs/dbraw/zinc/42/39/05/558423905.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423908 /nfs/dbraw/zinc/42/39/08/558423908.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423913 /nfs/dbraw/zinc/42/39/13/558423913.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CCc1cscn1)C1CCCCC1 ZINC000012573939 558430393 /nfs/dbraw/zinc/43/03/93/558430393.db2.gz IOAKMWIUHWLYLI-NRFANRHFSA-N 2 1 403.592 3.480 50 0 HGAAMP CC[N@H+](Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012576892 558431289 /nfs/dbraw/zinc/43/12/89/558431289.db2.gz XZFAXBGQDITLNB-QHCPKHFHSA-N 2 1 414.594 3.446 50 0 HGAAMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012576892 558431291 /nfs/dbraw/zinc/43/12/91/558431291.db2.gz XZFAXBGQDITLNB-QHCPKHFHSA-N 2 1 414.594 3.446 50 0 HGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012576892 558431295 /nfs/dbraw/zinc/43/12/95/558431295.db2.gz XZFAXBGQDITLNB-QHCPKHFHSA-N 2 1 414.594 3.446 50 0 HGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012576892 558431298 /nfs/dbraw/zinc/43/12/98/558431298.db2.gz XZFAXBGQDITLNB-QHCPKHFHSA-N 2 1 414.594 3.446 50 0 HGAAMP Cc1nn(C)cc1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012583302 558433422 /nfs/dbraw/zinc/43/34/22/558433422.db2.gz HHKZLKKJFGKLDV-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012583302 558433426 /nfs/dbraw/zinc/43/34/26/558433426.db2.gz HHKZLKKJFGKLDV-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012583302 558433430 /nfs/dbraw/zinc/43/34/30/558433430.db2.gz HHKZLKKJFGKLDV-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012583302 558433434 /nfs/dbraw/zinc/43/34/34/558433434.db2.gz HHKZLKKJFGKLDV-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP COCC1CC[NH+](Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012762855 558461399 /nfs/dbraw/zinc/46/13/99/558461399.db2.gz VRDOOSDBTRQNTD-XMMPIXPASA-N 2 1 412.574 3.417 50 0 HGAAMP CCOC(=O)c1n[nH]cc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068423 558710845 /nfs/dbraw/zinc/71/08/45/558710845.db2.gz DDHNDMAHQBZSKF-NRFANRHFSA-N 2 1 418.582 3.222 50 0 HGAAMP CCOC(=O)c1n[nH]cc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068423 558710848 /nfs/dbraw/zinc/71/08/48/558710848.db2.gz DDHNDMAHQBZSKF-NRFANRHFSA-N 2 1 418.582 3.222 50 0 HGAAMP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000071663082 558906417 /nfs/dbraw/zinc/90/64/17/558906417.db2.gz NRHMLMBVMRUSOF-JOCHJYFZSA-N 2 1 423.605 3.096 50 0 HGAAMP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000071663082 558906418 /nfs/dbraw/zinc/90/64/18/558906418.db2.gz NRHMLMBVMRUSOF-JOCHJYFZSA-N 2 1 423.605 3.096 50 0 HGAAMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067883933 558994464 /nfs/dbraw/zinc/99/44/64/558994464.db2.gz OUEXXMSONYIILR-NRFANRHFSA-N 2 1 410.562 3.343 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067883933 558994465 /nfs/dbraw/zinc/99/44/65/558994465.db2.gz OUEXXMSONYIILR-NRFANRHFSA-N 2 1 410.562 3.343 50 0 HGAAMP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082100080 559038142 /nfs/dbraw/zinc/03/81/42/559038142.db2.gz TWJIYHPHJFSBFM-QHCPKHFHSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082100080 559038143 /nfs/dbraw/zinc/03/81/43/559038143.db2.gz TWJIYHPHJFSBFM-QHCPKHFHSA-N 2 1 406.574 3.117 50 0 HGAAMP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)on1 ZINC000095507475 559083286 /nfs/dbraw/zinc/08/32/86/559083286.db2.gz IYMWGVUPDXMJEZ-SFHVURJKSA-N 2 1 402.514 3.038 50 0 HGAAMP C[NH+](C)C1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000095510366 559083621 /nfs/dbraw/zinc/08/36/21/559083621.db2.gz IMDOCQMOBYAFSA-QHCPKHFHSA-N 2 1 403.611 3.217 50 0 HGAAMP COCC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000012750282 568940131 /nfs/dbraw/zinc/94/01/31/568940131.db2.gz HKUDDLQYVXJWRU-VWLOTQADSA-N 2 1 424.585 3.343 50 0 HGAAMP COc1ccc(C[N@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063933 569085550 /nfs/dbraw/zinc/08/55/50/569085550.db2.gz ZZRPVPQRIMSSHA-KRWDZBQOSA-N 2 1 402.539 3.021 50 0 HGAAMP COc1ccc(C[N@@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063933 569085551 /nfs/dbraw/zinc/08/55/51/569085551.db2.gz ZZRPVPQRIMSSHA-KRWDZBQOSA-N 2 1 402.539 3.021 50 0 HGAAMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000069533588 571228954 /nfs/dbraw/zinc/22/89/54/571228954.db2.gz ZKCJNESGLTUSJJ-DEOSSOPVSA-N 2 1 408.590 3.133 50 0 HGAAMP COc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012019845 558309166 /nfs/dbraw/zinc/30/91/66/558309166.db2.gz NOSNVOHXEFWSBT-OAQYLSRUSA-N 2 1 416.562 3.286 50 0 HGAAMP COc1cc(C[NH+](C)CCOc2ccccc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012019845 558309169 /nfs/dbraw/zinc/30/91/69/558309169.db2.gz NOSNVOHXEFWSBT-OAQYLSRUSA-N 2 1 416.562 3.286 50 0 HGAAMP COc1cc(C[NH+](C)CCOc2ccccc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012019845 558309171 /nfs/dbraw/zinc/30/91/71/558309171.db2.gz NOSNVOHXEFWSBT-OAQYLSRUSA-N 2 1 416.562 3.286 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCSC)C1 ZINC000012192137 558347868 /nfs/dbraw/zinc/34/78/68/558347868.db2.gz HBFFLKOHVPAATQ-IBGZPJMESA-N 2 1 407.624 3.051 50 0 HGAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CSCCSC2)cc1 ZINC000012301979 558371530 /nfs/dbraw/zinc/37/15/30/558371530.db2.gz NNPZXYCXRCYNIX-LJQANCHMSA-N 2 1 402.589 3.432 50 0 HGAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CSCCSC2)cc1 ZINC000012301979 558371533 /nfs/dbraw/zinc/37/15/33/558371533.db2.gz NNPZXYCXRCYNIX-LJQANCHMSA-N 2 1 402.589 3.432 50 0 HGAAMP CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012453747 558416570 /nfs/dbraw/zinc/41/65/70/558416570.db2.gz PDVRWECEFGTLCO-QFIPXVFZSA-N 2 1 416.562 3.083 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012585555 558433892 /nfs/dbraw/zinc/43/38/92/558433892.db2.gz WXXLUTNSXAPKRQ-LJQANCHMSA-N 2 1 403.567 3.161 50 0 HGAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1OC ZINC000012714070 558454118 /nfs/dbraw/zinc/45/41/18/558454118.db2.gz OTPYETOJGUGYPN-QGZVFWFLSA-N 2 1 408.489 3.345 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)Cc2nccs2)C1 ZINC000039557988 558822379 /nfs/dbraw/zinc/82/23/79/558822379.db2.gz NFZUAMXZLWNTRY-LJQANCHMSA-N 2 1 402.608 3.428 50 0 HGAAMP O=C(NCc1nccs1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082098829 559037883 /nfs/dbraw/zinc/03/78/83/559037883.db2.gz FNUFBQBFHLIIOP-HXUWFJFHSA-N 2 1 412.603 3.178 50 0 HGAAMP O=C(NCc1nccs1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082098829 559037884 /nfs/dbraw/zinc/03/78/84/559037884.db2.gz FNUFBQBFHLIIOP-HXUWFJFHSA-N 2 1 412.603 3.178 50 0 HGAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](CCCOc1ccccc1)C2 ZINC000095368584 559080198 /nfs/dbraw/zinc/08/01/98/559080198.db2.gz OADAZEVZQMVQMU-AKFKNWHVSA-N 2 1 402.579 3.295 50 0 HGAAMP COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000015066581 568749073 /nfs/dbraw/zinc/74/90/73/568749073.db2.gz PIHJJVKQLMVJMO-QFIPXVFZSA-N 2 1 420.594 3.169 50 0 HGAAMP C[N@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000006083733 568996084 /nfs/dbraw/zinc/99/60/84/568996084.db2.gz QNHZXTRGJXXAGI-QFIPXVFZSA-N 2 1 404.501 3.458 50 0 HGAAMP C[N@@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000006083733 568996085 /nfs/dbraw/zinc/99/60/85/568996085.db2.gz QNHZXTRGJXXAGI-QFIPXVFZSA-N 2 1 404.501 3.458 50 0 HGAAMP CCC(=O)N[C@@H]1CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000229381963 569040404 /nfs/dbraw/zinc/04/04/04/569040404.db2.gz HIYWXYLCDYSCNM-FGZHOGPDSA-N 2 1 422.658 3.308 50 0 HGAAMP C[N@@H+](CCNC(=O)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000169790719 569178063 /nfs/dbraw/zinc/17/80/63/569178063.db2.gz HDQJVGXUWRPEFB-HSZRJFAPSA-N 2 1 421.589 3.227 50 0 HGAAMP COc1ccccc1C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)C(C)C)c(OC)c1 ZINC000012024414 558309988 /nfs/dbraw/zinc/30/99/88/558309988.db2.gz XDFFFJUUCMPHDA-OAQYLSRUSA-N 2 1 416.562 3.416 50 0 HGAAMP COc1ccccc1C[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012024414 558309991 /nfs/dbraw/zinc/30/99/91/558309991.db2.gz XDFFFJUUCMPHDA-OAQYLSRUSA-N 2 1 416.562 3.416 50 0 HGAAMP COc1ccccc1C[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012024414 558309993 /nfs/dbraw/zinc/30/99/93/558309993.db2.gz XDFFFJUUCMPHDA-OAQYLSRUSA-N 2 1 416.562 3.416 50 0 HGAAMP Cn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000012314140 558377824 /nfs/dbraw/zinc/37/78/24/558377824.db2.gz JIOLPHMDISJHGF-QFIPXVFZSA-N 2 1 400.542 3.452 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1cscn1)C1CCCCC1 ZINC000012573933 558430325 /nfs/dbraw/zinc/43/03/25/558430325.db2.gz IOAKMWIUHWLYLI-OAQYLSRUSA-N 2 1 403.592 3.480 50 0 HGAAMP COc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012750969 558459087 /nfs/dbraw/zinc/45/90/87/558459087.db2.gz ZFRZXFIGUHQHHB-FQEVSTJZSA-N 2 1 402.535 3.074 50 0 HGAAMP CC[C@H](COC)NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000015063324 558705927 /nfs/dbraw/zinc/70/59/27/558705927.db2.gz HOULBRPQMNZPBL-JOCHJYFZSA-N 2 1 401.595 3.213 50 0 HGAAMP Cn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000015069807 558711870 /nfs/dbraw/zinc/71/18/70/558711870.db2.gz SKZSXZNLOLIBTC-VWLOTQADSA-N 2 1 408.590 3.281 50 0 HGAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271057 558878158 /nfs/dbraw/zinc/87/81/58/558878158.db2.gz UCSATZJODPQPHG-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271057 558878161 /nfs/dbraw/zinc/87/81/61/558878161.db2.gz UCSATZJODPQPHG-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271057 558878163 /nfs/dbraw/zinc/87/81/63/558878163.db2.gz UCSATZJODPQPHG-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271057 558878164 /nfs/dbraw/zinc/87/81/64/558878164.db2.gz UCSATZJODPQPHG-QFIPXVFZSA-N 2 1 412.574 3.453 50 0 HGAAMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377485 558942471 /nfs/dbraw/zinc/94/24/71/558942471.db2.gz BFMPROPBLIXKCV-QGZVFWFLSA-N 2 1 421.545 3.027 50 0 HGAAMP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)on1 ZINC000095507474 559083320 /nfs/dbraw/zinc/08/33/20/559083320.db2.gz IYMWGVUPDXMJEZ-GOSISDBHSA-N 2 1 402.514 3.038 50 0 HGAAMP COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015066910 568749008 /nfs/dbraw/zinc/74/90/08/568749008.db2.gz ZLDBTNDEJFZDIH-OAQYLSRUSA-N 2 1 404.526 3.247 50 0 HGAAMP CC(C)Oc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104384717 569008571 /nfs/dbraw/zinc/00/85/71/569008571.db2.gz CPPJXMWCXFGICL-HSZRJFAPSA-N 2 1 403.611 3.215 50 0 HGAAMP CC(C)Oc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104384717 569008572 /nfs/dbraw/zinc/00/85/72/569008572.db2.gz CPPJXMWCXFGICL-HSZRJFAPSA-N 2 1 403.611 3.215 50 0 HGAAMP CN(c1ccccc1)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000104513691 569008827 /nfs/dbraw/zinc/00/88/27/569008827.db2.gz NDIASWKNTXRLCE-AREMUKBSSA-N 2 1 422.617 3.417 50 0 HGAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000241590543 569054768 /nfs/dbraw/zinc/05/47/68/569054768.db2.gz PFUQRTJZTMYNFS-SMKKKYSBSA-N 2 1 400.538 3.449 50 0 HGAAMP CCn1ccnc1CN(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000020537236 523523755 /nfs/dbraw/zinc/52/37/55/523523755.db2.gz CVKZFFMTMYOZDX-OAQYLSRUSA-N 2 1 413.610 3.187 50 0 HGAAMP CCN1CCC([N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000011812804 558277686 /nfs/dbraw/zinc/27/76/86/558277686.db2.gz FTSPIZKCQDUILB-UHFFFAOYSA-N 2 1 403.611 3.340 50 0 HGAAMP CC[NH+]1CCC([N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000011812804 558277688 /nfs/dbraw/zinc/27/76/88/558277688.db2.gz FTSPIZKCQDUILB-UHFFFAOYSA-N 3 1 403.611 3.340 50 0 HGAAMP CC[NH+]1CCC([N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000011812804 558277689 /nfs/dbraw/zinc/27/76/89/558277689.db2.gz FTSPIZKCQDUILB-UHFFFAOYSA-N 3 1 403.611 3.340 50 0 HGAAMP CCn1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000019794432 558283625 /nfs/dbraw/zinc/28/36/25/558283625.db2.gz GOTONOCSYXZXPJ-QHCPKHFHSA-N 2 1 412.622 3.403 50 0 HGAAMP COc1cc(C[NH2+]Cc2nc3ccccc3o2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012466524 558420432 /nfs/dbraw/zinc/42/04/32/558420432.db2.gz VDHOCFCINJFZRG-SFHVURJKSA-N 2 1 413.518 3.206 50 0 HGAAMP COc1cc(C[NH2+]Cc2nc3ccccc3o2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012466524 558420434 /nfs/dbraw/zinc/42/04/34/558420434.db2.gz VDHOCFCINJFZRG-SFHVURJKSA-N 2 1 413.518 3.206 50 0 HGAAMP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1cccc2ccccc21 ZINC000023362681 558552424 /nfs/dbraw/zinc/55/24/24/558552424.db2.gz PSHXMJGLBWRFOF-NOZRDPDXSA-N 2 1 422.617 3.335 50 0 HGAAMP O[C@H](COc1ccccc1C[NH2+]Cc1ccc(F)cc1F)C[NH+]1CCSCC1 ZINC000015067206 558710094 /nfs/dbraw/zinc/71/00/94/558710094.db2.gz GCICBRYAZVZGSU-IBGZPJMESA-N 2 1 408.514 3.043 50 0 HGAAMP C[N@H+]1CCCN(c2ccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cn2)CC1 ZINC000058393803 558923974 /nfs/dbraw/zinc/92/39/74/558923974.db2.gz CWJYHKYBBJFDIA-UHFFFAOYSA-N 2 1 421.589 3.139 50 0 HGAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)no1 ZINC000082127045 559039796 /nfs/dbraw/zinc/03/97/96/559039796.db2.gz BJOHQNQUXZOQRK-NRFANRHFSA-N 2 1 410.562 3.018 50 0 HGAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)no1 ZINC000082127045 559039797 /nfs/dbraw/zinc/03/97/97/559039797.db2.gz BJOHQNQUXZOQRK-NRFANRHFSA-N 2 1 410.562 3.018 50 0 HGAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)no1 ZINC000082127044 559039921 /nfs/dbraw/zinc/03/99/21/559039921.db2.gz BJOHQNQUXZOQRK-OAQYLSRUSA-N 2 1 410.562 3.018 50 0 HGAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)no1 ZINC000082127044 559039923 /nfs/dbraw/zinc/03/99/23/559039923.db2.gz BJOHQNQUXZOQRK-OAQYLSRUSA-N 2 1 410.562 3.018 50 0 HGAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@H](C)CCc3ccc(O)cc3)CC2)CC1 ZINC000096879118 559112512 /nfs/dbraw/zinc/11/25/12/559112512.db2.gz OSBCWCZPESFFAW-HXUWFJFHSA-N 2 1 401.595 3.370 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccn2-c2nccs2)C[C@@H]2CCCO2)CC1 ZINC000012303412 568464852 /nfs/dbraw/zinc/46/48/52/568464852.db2.gz CZDLSCRSYKKBCK-NRFANRHFSA-N 2 1 418.607 3.273 50 0 HGAAMP CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280016 568717699 /nfs/dbraw/zinc/71/76/99/568717699.db2.gz GVEXEDMRJYINQV-SFHVURJKSA-N 2 1 416.566 3.411 50 0 HGAAMP CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280016 568717704 /nfs/dbraw/zinc/71/77/04/568717704.db2.gz GVEXEDMRJYINQV-SFHVURJKSA-N 2 1 416.566 3.411 50 0 HGAAMP O[C@H](COc1cccc(C[NH2+]CCc2cscn2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000015074708 568749304 /nfs/dbraw/zinc/74/93/04/568749304.db2.gz WYSLUGMSWRJTEF-QHCPKHFHSA-N 2 1 423.582 3.273 50 0 HGAAMP C[N@H+]1CCN(CCC[NH2+]Cc2csc(-c3ncccn3)n2)[C@@H](c2ccccc2)C1 ZINC000229499376 569040554 /nfs/dbraw/zinc/04/05/54/569040554.db2.gz LBIUZDZNVAJWBL-HXUWFJFHSA-N 2 1 408.575 3.069 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000239760933 569054582 /nfs/dbraw/zinc/05/45/82/569054582.db2.gz CILKWMZXRKQKFV-WWPVKYPJSA-N 2 1 401.595 3.139 50 0 HGAAMP COc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000239760933 569054583 /nfs/dbraw/zinc/05/45/83/569054583.db2.gz CILKWMZXRKQKFV-WWPVKYPJSA-N 2 1 401.595 3.139 50 0 HGAAMP C[N@H+]1CCN(CC[NH2+][C@@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484667 569289146 /nfs/dbraw/zinc/28/91/46/569289146.db2.gz GDZFPBFYBQNEBB-UXHICEINSA-N 2 1 408.631 3.170 50 0 HGAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314423 /nfs/dbraw/zinc/31/44/23/558314423.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314425 /nfs/dbraw/zinc/31/44/25/558314425.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314427 /nfs/dbraw/zinc/31/44/27/558314427.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCSC)C1 ZINC000012192133 558347841 /nfs/dbraw/zinc/34/78/41/558347841.db2.gz HBFFLKOHVPAATQ-LJQANCHMSA-N 2 1 407.624 3.051 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]CC2(O)CCCCC2)c1)C1CCCCC1 ZINC000012712326 558453307 /nfs/dbraw/zinc/45/33/07/558453307.db2.gz JRGLUADPVOSUAL-JOCHJYFZSA-N 2 1 404.595 3.476 50 0 HGAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014732353 558665755 /nfs/dbraw/zinc/66/57/55/558665755.db2.gz IGKUUPBDHRZIQZ-RCZVLFRGSA-N 3 1 422.617 3.052 50 0 HGAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc3ccccc3c2)C1 ZINC000014732353 558665758 /nfs/dbraw/zinc/66/57/58/558665758.db2.gz IGKUUPBDHRZIQZ-RCZVLFRGSA-N 2 1 422.617 3.052 50 0 HGAAMP COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014955129 558682210 /nfs/dbraw/zinc/68/22/10/558682210.db2.gz JDZDILWHUDRNRR-NRFANRHFSA-N 2 1 416.562 3.082 50 0 HGAAMP CCOC(=O)c1n[nH]cc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068425 558710929 /nfs/dbraw/zinc/71/09/29/558710929.db2.gz DDHNDMAHQBZSKF-OAQYLSRUSA-N 2 1 418.582 3.222 50 0 HGAAMP CCOC(=O)c1n[nH]cc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068425 558710933 /nfs/dbraw/zinc/71/09/33/558710933.db2.gz DDHNDMAHQBZSKF-OAQYLSRUSA-N 2 1 418.582 3.222 50 0 HGAAMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000004699009 558907194 /nfs/dbraw/zinc/90/71/94/558907194.db2.gz RVWVQIDOPKIAOT-UHFFFAOYSA-N 2 1 410.400 3.365 50 0 HGAAMP Cc1cc(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521428 559085355 /nfs/dbraw/zinc/08/53/55/559085355.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1cc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521428 559085356 /nfs/dbraw/zinc/08/53/56/559085356.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1cc(C[NH+](C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521428 559085357 /nfs/dbraw/zinc/08/53/57/559085357.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1cc(C[NH+](C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521428 559085358 /nfs/dbraw/zinc/08/53/58/559085358.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095523163 559085635 /nfs/dbraw/zinc/08/56/35/559085635.db2.gz WSAFDODFUAIMJU-IBGZPJMESA-N 2 1 400.542 3.378 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccnc2)C1 ZINC000011818526 558281892 /nfs/dbraw/zinc/28/18/92/558281892.db2.gz AWLDAERPAUCVIW-FQEVSTJZSA-N 2 1 410.562 3.006 50 0 HGAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1)C1CC[NH+](C)CC1 ZINC000011938135 558301511 /nfs/dbraw/zinc/30/15/11/558301511.db2.gz IFKFWHWHGROVET-NRFANRHFSA-N 2 1 423.605 3.417 50 0 HGAAMP CCOC(=O)c1n[nH]cc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012300282 558370073 /nfs/dbraw/zinc/37/00/73/558370073.db2.gz JMVSXDQTWYBMHL-UHFFFAOYSA-N 2 1 402.514 3.112 50 0 HGAAMP CCCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014743196 558667772 /nfs/dbraw/zinc/66/77/72/558667772.db2.gz KJHDPBGXFTYZPC-NRFANRHFSA-N 2 1 423.605 3.106 50 0 HGAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981211 558691705 /nfs/dbraw/zinc/69/17/05/558691705.db2.gz OYXGPRHOAMTEQR-INIZCTEOSA-N 2 1 403.464 3.380 50 0 HGAAMP CC[C@@H](COC)NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000015063323 558705900 /nfs/dbraw/zinc/70/59/00/558705900.db2.gz HOULBRPQMNZPBL-QFIPXVFZSA-N 2 1 401.595 3.213 50 0 HGAAMP COCCCC1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000015063725 558706497 /nfs/dbraw/zinc/70/64/97/558706497.db2.gz GKFKRIVXKUPEPM-QFIPXVFZSA-N 2 1 422.610 3.414 50 0 HGAAMP COCCCC1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000015063726 558706519 /nfs/dbraw/zinc/70/65/19/558706519.db2.gz GKFKRIVXKUPEPM-JOCHJYFZSA-N 2 1 422.610 3.414 50 0 HGAAMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518440 558821960 /nfs/dbraw/zinc/82/19/60/558821960.db2.gz UONLGUZLAWTBBK-LEWJYISDSA-N 2 1 421.626 3.153 50 0 HGAAMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518440 558821963 /nfs/dbraw/zinc/82/19/63/558821963.db2.gz UONLGUZLAWTBBK-LEWJYISDSA-N 2 1 421.626 3.153 50 0 HGAAMP Cn1cccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095505359 559083008 /nfs/dbraw/zinc/08/30/08/559083008.db2.gz CCDJGBWSWWIBGT-IBGZPJMESA-N 2 1 400.542 3.080 50 0 HGAAMP O[C@@H](COc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095524403 559085768 /nfs/dbraw/zinc/08/57/68/559085768.db2.gz DPQTXRVADPEQIG-JOCHJYFZSA-N 2 1 402.579 3.305 50 0 HGAAMP C[N@H+]1CCN(CC[NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484669 559277388 /nfs/dbraw/zinc/27/73/88/559277388.db2.gz GDZFPBFYBQNEBB-WOJBJXKFSA-N 2 1 408.631 3.170 50 0 HGAAMP COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000012093022 560888879 /nfs/dbraw/zinc/88/88/79/560888879.db2.gz ILAMTAGXBCMVLD-GOSISDBHSA-N 2 1 405.558 3.379 50 0 HGAAMP COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000012093019 560888922 /nfs/dbraw/zinc/88/89/22/560888922.db2.gz ILAMTAGXBCMVLD-SFHVURJKSA-N 2 1 405.558 3.379 50 0 HGAAMP COc1ccc(C[NH2+]CCc2ccccc2F)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000014970217 568497606 /nfs/dbraw/zinc/49/76/06/568497606.db2.gz YULOVADBZLEYCC-HXUWFJFHSA-N 2 1 404.526 3.247 50 0 HGAAMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057273611 568825670 /nfs/dbraw/zinc/82/56/70/568825670.db2.gz UIPWPTLDCAHDFO-SFHVURJKSA-N 2 1 406.530 3.136 50 0 HGAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000004062991 568881556 /nfs/dbraw/zinc/88/15/56/568881556.db2.gz GQWCDWWREXSFDW-DHRDOYSISA-N 2 1 416.606 3.222 50 0 biogenic HGAAMP C[N@@H+](CCNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000169789765 569177952 /nfs/dbraw/zinc/17/79/52/569177952.db2.gz YTPFRKZRHRFDAN-HSZRJFAPSA-N 2 1 421.589 3.227 50 0 HGAAMP COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000039557676 571133146 /nfs/dbraw/zinc/13/31/46/571133146.db2.gz JRGGWRMSDAYBCY-OAQYLSRUSA-N 2 1 421.626 3.129 50 0 HGAAMP COc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000039557676 571133148 /nfs/dbraw/zinc/13/31/48/571133148.db2.gz JRGGWRMSDAYBCY-OAQYLSRUSA-N 2 1 421.626 3.129 50 0 HGAAMP COc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000039557676 571133149 /nfs/dbraw/zinc/13/31/49/571133149.db2.gz JRGGWRMSDAYBCY-OAQYLSRUSA-N 2 1 421.626 3.129 50 0 HGAAMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000069533585 571228995 /nfs/dbraw/zinc/22/89/95/571228995.db2.gz ZKCJNESGLTUSJJ-XMMPIXPASA-N 2 1 408.590 3.133 50 0 HGAAMP CCc1[nH+]ccn1CCC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011819222 558282443 /nfs/dbraw/zinc/28/24/43/558282443.db2.gz NXTJQSXCKSYAKO-UHFFFAOYSA-N 2 1 400.542 3.388 50 0 HGAAMP CCOCCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012049848 558313771 /nfs/dbraw/zinc/31/37/71/558313771.db2.gz PSOJOHRWARYPQP-UHFFFAOYSA-N 2 1 401.595 3.214 50 0 HGAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000012432292 558406728 /nfs/dbraw/zinc/40/67/28/558406728.db2.gz DKRFDAIBRCZTJM-UHFFFAOYSA-N 2 1 409.578 3.141 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434861 558408592 /nfs/dbraw/zinc/40/85/92/558408592.db2.gz LARRWWBIHAOMMI-QHCPKHFHSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434861 558408594 /nfs/dbraw/zinc/40/85/94/558408594.db2.gz LARRWWBIHAOMMI-QHCPKHFHSA-N 2 1 406.574 3.383 50 0 HGAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412490 /nfs/dbraw/zinc/41/24/90/558412490.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 2 1 411.590 3.004 50 0 HGAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412496 /nfs/dbraw/zinc/41/24/96/558412496.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 2 1 411.590 3.004 50 0 HGAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412498 /nfs/dbraw/zinc/41/24/98/558412498.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 2 1 411.590 3.004 50 0 HGAAMP CSCCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012458916 558418473 /nfs/dbraw/zinc/41/84/73/558418473.db2.gz MAQHLISGUXEGDJ-JOCHJYFZSA-N 2 1 400.588 3.327 50 0 HGAAMP COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012750972 558459114 /nfs/dbraw/zinc/45/91/14/558459114.db2.gz ZFRZXFIGUHQHHB-HXUWFJFHSA-N 2 1 402.535 3.074 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100115 559038151 /nfs/dbraw/zinc/03/81/51/559038151.db2.gz VEQLLUODZHOGEH-HSZRJFAPSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100115 559038153 /nfs/dbraw/zinc/03/81/53/559038153.db2.gz VEQLLUODZHOGEH-HSZRJFAPSA-N 2 1 406.574 3.383 50 0 HGAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168724 /nfs/dbraw/zinc/16/87/24/569168724.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168725 /nfs/dbraw/zinc/16/87/25/569168725.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168726 /nfs/dbraw/zinc/16/87/26/569168726.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168727 /nfs/dbraw/zinc/16/87/27/569168727.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 2 1 407.558 3.300 50 0 HGAAMP C[NH+](C)CC(C)(C)CNCc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000055060653 569381391 /nfs/dbraw/zinc/38/13/91/569381391.db2.gz NOLDILNYFWVNGV-QFIPXVFZSA-N 2 1 405.627 3.368 50 0 HGAAMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000055060653 569381392 /nfs/dbraw/zinc/38/13/92/569381392.db2.gz NOLDILNYFWVNGV-QFIPXVFZSA-N 3 1 405.627 3.368 50 0 HGAAMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000055060653 569381394 /nfs/dbraw/zinc/38/13/94/569381394.db2.gz NOLDILNYFWVNGV-QFIPXVFZSA-N 3 1 405.627 3.368 50 0 HGAAMP CCn1ccnc1CN(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000020537238 523523961 /nfs/dbraw/zinc/52/39/61/523523961.db2.gz CVKZFFMTMYOZDX-NRFANRHFSA-N 2 1 413.610 3.187 50 0 HGAAMP CC1CC[NH+](CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000019890126 558302752 /nfs/dbraw/zinc/30/27/52/558302752.db2.gz MEWMEYFRUOQIOW-OAQYLSRUSA-N 2 1 401.526 3.292 50 0 HGAAMP COc1ccccc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)C(C)C)c(OC)c1 ZINC000012024410 558309916 /nfs/dbraw/zinc/30/99/16/558309916.db2.gz XDFFFJUUCMPHDA-NRFANRHFSA-N 2 1 416.562 3.416 50 0 HGAAMP COc1ccccc1C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012024410 558309919 /nfs/dbraw/zinc/30/99/19/558309919.db2.gz XDFFFJUUCMPHDA-NRFANRHFSA-N 2 1 416.562 3.416 50 0 HGAAMP COc1ccccc1C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012024410 558309921 /nfs/dbraw/zinc/30/99/21/558309921.db2.gz XDFFFJUUCMPHDA-NRFANRHFSA-N 2 1 416.562 3.416 50 0 HGAAMP Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012024658 558309969 /nfs/dbraw/zinc/30/99/69/558309969.db2.gz ZRBUJLNHOOMJKX-HXUWFJFHSA-N 2 1 412.553 3.445 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000012055648 558315876 /nfs/dbraw/zinc/31/58/76/558315876.db2.gz XRHYENVHHQSJBD-HXUWFJFHSA-N 2 1 405.558 3.427 50 0 HGAAMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012193335 558348444 /nfs/dbraw/zinc/34/84/44/558348444.db2.gz LPUFYBWGKHPQFF-FQEVSTJZSA-N 2 1 422.573 3.197 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012298391 558368437 /nfs/dbraw/zinc/36/84/37/558368437.db2.gz HDYIRPYELWSIEC-XMMPIXPASA-N 2 1 423.605 3.465 50 0 HGAAMP Cn1ccnc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298491 558368524 /nfs/dbraw/zinc/36/85/24/558368524.db2.gz LPAALVAXGJTZQG-NRFANRHFSA-N 2 1 400.542 3.452 50 0 HGAAMP Cn1ccnc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298491 558368527 /nfs/dbraw/zinc/36/85/27/558368527.db2.gz LPAALVAXGJTZQG-NRFANRHFSA-N 2 1 400.542 3.452 50 0 HGAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412540 /nfs/dbraw/zinc/41/25/40/558412540.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 2 1 411.590 3.004 50 0 HGAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412549 /nfs/dbraw/zinc/41/25/49/558412549.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 2 1 411.590 3.004 50 0 HGAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412552 /nfs/dbraw/zinc/41/25/52/558412552.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 2 1 411.590 3.004 50 0 HGAAMP CC(C)Oc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000020782057 558412859 /nfs/dbraw/zinc/41/28/59/558412859.db2.gz CPPJXMWCXFGICL-QHCPKHFHSA-N 2 1 403.611 3.215 50 0 HGAAMP CC(C)Oc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000020782057 558412861 /nfs/dbraw/zinc/41/28/61/558412861.db2.gz CPPJXMWCXFGICL-QHCPKHFHSA-N 2 1 403.611 3.215 50 0 HGAAMP COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)cc1 ZINC000012576874 558431373 /nfs/dbraw/zinc/43/13/73/558431373.db2.gz GWFFWHNQFQCVMK-OAQYLSRUSA-N 2 1 416.562 3.116 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065002 558707702 /nfs/dbraw/zinc/70/77/02/558707702.db2.gz ZWNDKAMJFBHEGY-NRFANRHFSA-N 2 1 424.589 3.121 50 0 HGAAMP O[C@@H](COc1ccccc1C[NH2+]Cc1ccc(F)cc1F)C[NH+]1CCSCC1 ZINC000015067204 558710154 /nfs/dbraw/zinc/71/01/54/558710154.db2.gz GCICBRYAZVZGSU-LJQANCHMSA-N 2 1 408.514 3.043 50 0 HGAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OC ZINC000015070446 558712328 /nfs/dbraw/zinc/71/23/28/558712328.db2.gz XMVCAUFHQCDVFS-OAQYLSRUSA-N 2 1 408.583 3.025 50 0 HGAAMP C[N@H+](Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1)CC1CC[NH+](C)CC1 ZINC000048090882 558843040 /nfs/dbraw/zinc/84/30/40/558843040.db2.gz HPBQSMKHWGDBOB-UHFFFAOYSA-N 2 1 403.530 3.273 50 0 HGAAMP Cc1ocnc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095505645 559083097 /nfs/dbraw/zinc/08/30/97/559083097.db2.gz GWHPAXRHRUVVJE-SFHVURJKSA-N 2 1 402.514 3.038 50 0 HGAAMP Cn1ccnc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095510597 559083726 /nfs/dbraw/zinc/08/37/26/559083726.db2.gz UGPNVTOGBQTYKG-HXUWFJFHSA-N 2 1 401.599 3.003 50 0 HGAAMP C[N@@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997796 559270271 /nfs/dbraw/zinc/27/02/71/559270271.db2.gz KDXKMRRKZUJCJD-XMMPIXPASA-N 2 1 410.558 3.095 50 0 HGAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997796 559270273 /nfs/dbraw/zinc/27/02/73/559270273.db2.gz KDXKMRRKZUJCJD-XMMPIXPASA-N 2 1 410.558 3.095 50 0 HGAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997796 559270275 /nfs/dbraw/zinc/27/02/75/559270275.db2.gz KDXKMRRKZUJCJD-XMMPIXPASA-N 2 1 410.558 3.095 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccn2-c2nccs2)C[C@H]2CCCO2)CC1 ZINC000012303413 568464876 /nfs/dbraw/zinc/46/48/76/568464876.db2.gz CZDLSCRSYKKBCK-OAQYLSRUSA-N 2 1 418.607 3.273 50 0 HGAAMP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013145613 569409985 /nfs/dbraw/zinc/40/99/85/569409985.db2.gz HPVICPOFRQRDQQ-DEOSSOPVSA-N 2 1 410.558 3.202 50 0 HGAAMP CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012315197 132358388 /nfs/dbraw/zinc/35/83/88/132358388.db2.gz MBWFXURBBNPPHU-HSZRJFAPSA-N 2 1 424.564 3.314 50 0 HGAAMP CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012315197 132358390 /nfs/dbraw/zinc/35/83/90/132358390.db2.gz MBWFXURBBNPPHU-HSZRJFAPSA-N 2 1 424.564 3.314 50 0 HGAAMP COc1ccc(C[N@@H+](C)Cc2ccncc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011665249 558268729 /nfs/dbraw/zinc/26/87/29/558268729.db2.gz OALNVGJPNXJWGU-JOCHJYFZSA-N 2 1 413.562 3.256 50 0 HGAAMP O=C(NCCc1ccncc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011820574 558283943 /nfs/dbraw/zinc/28/39/43/558283943.db2.gz DXYFXJGCCZNAHE-HSZRJFAPSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCCc1ccncc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011820574 558283945 /nfs/dbraw/zinc/28/39/45/558283945.db2.gz DXYFXJGCCZNAHE-HSZRJFAPSA-N 2 1 406.574 3.117 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]2CCCO2)CC1 ZINC000012075478 558319643 /nfs/dbraw/zinc/31/96/43/558319643.db2.gz MKZGRJRMZYJXBD-NRFANRHFSA-N 2 1 406.567 3.043 50 0 HGAAMP CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012458915 558418595 /nfs/dbraw/zinc/41/85/95/558418595.db2.gz MAQHLISGUXEGDJ-QFIPXVFZSA-N 2 1 400.588 3.327 50 0 HGAAMP CN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114560 559038946 /nfs/dbraw/zinc/03/89/46/559038946.db2.gz CSPNHTMKEAVIEQ-QFIPXVFZSA-N 2 1 413.606 3.043 50 0 HGAAMP CN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114560 559038948 /nfs/dbraw/zinc/03/89/48/559038948.db2.gz CSPNHTMKEAVIEQ-QFIPXVFZSA-N 2 1 413.606 3.043 50 0 HGAAMP C[NH+](C)C1CCN(Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000095510365 559083665 /nfs/dbraw/zinc/08/36/65/559083665.db2.gz IMDOCQMOBYAFSA-HSZRJFAPSA-N 2 1 403.611 3.217 50 0 HGAAMP COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978017 568517230 /nfs/dbraw/zinc/51/72/30/568517230.db2.gz JBPASXRHEUNCEX-QHCPKHFHSA-N 2 1 400.519 3.277 50 0 HGAAMP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978017 568517232 /nfs/dbraw/zinc/51/72/32/568517232.db2.gz JBPASXRHEUNCEX-QHCPKHFHSA-N 2 1 400.519 3.277 50 0 HGAAMP COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978017 568517233 /nfs/dbraw/zinc/51/72/33/568517233.db2.gz JBPASXRHEUNCEX-QHCPKHFHSA-N 2 1 400.519 3.277 50 0 HGAAMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000225421416 568636399 /nfs/dbraw/zinc/63/63/99/568636399.db2.gz RYZLPINCDGXRIM-UHFFFAOYSA-N 2 1 407.602 3.478 50 0 HGAAMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](CC)Cc1ccc2c(c1)OCCO2)c1ccco1 ZINC000053094171 568935088 /nfs/dbraw/zinc/93/50/88/568935088.db2.gz HPDHDWUQSUBRQT-IBGZPJMESA-N 2 1 415.534 3.072 50 0 HGAAMP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](CC)Cc1ccc2c(c1)OCCO2)c1ccco1 ZINC000053094171 568935090 /nfs/dbraw/zinc/93/50/90/568935090.db2.gz HPDHDWUQSUBRQT-IBGZPJMESA-N 2 1 415.534 3.072 50 0 HGAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102029 569281547 /nfs/dbraw/zinc/28/15/47/569281547.db2.gz GQWCDWWREXSFDW-BRKXNLHOSA-N 2 1 416.606 3.222 50 0 biogenic HGAAMP COc1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004599922 557571189 /nfs/dbraw/zinc/57/11/89/557571189.db2.gz VUBAPHQFDYEUCD-UHFFFAOYSA-N 2 1 407.558 3.252 50 0 HGAAMP CCn1cc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226463 558357089 /nfs/dbraw/zinc/35/70/89/558357089.db2.gz VMBBAXPOLHGQDV-QHCPKHFHSA-N 2 1 408.546 3.065 50 0 HGAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316870 558380308 /nfs/dbraw/zinc/38/03/08/558380308.db2.gz KOMKZIGZOXCTCY-UHFFFAOYSA-N 2 1 408.550 3.344 50 0 HGAAMP COc1cc(C[NH2+]Cc2nc3ccccc3o2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012466530 558420454 /nfs/dbraw/zinc/42/04/54/558420454.db2.gz VDHOCFCINJFZRG-GOSISDBHSA-N 2 1 413.518 3.206 50 0 HGAAMP COc1cc(C[NH2+]Cc2nc3ccccc3o2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012466530 558420457 /nfs/dbraw/zinc/42/04/57/558420457.db2.gz VDHOCFCINJFZRG-GOSISDBHSA-N 2 1 413.518 3.206 50 0 HGAAMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc4ccccc4c3)C2)CC1 ZINC000020910759 558422095 /nfs/dbraw/zinc/42/20/95/558422095.db2.gz UOGHEPQIELAUSZ-DQEYMECFSA-N 2 1 422.617 3.381 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCCn1cccn1)C1CCCCC1 ZINC000012570935 558429011 /nfs/dbraw/zinc/42/90/11/558429011.db2.gz UGUMGTYJWYXGAO-JOCHJYFZSA-N 2 1 400.567 3.067 50 0 HGAAMP CC[N@@H+](CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012761602 558461080 /nfs/dbraw/zinc/46/10/80/558461080.db2.gz SYLOHLFJUOEJLK-QHCPKHFHSA-N 2 1 414.594 3.409 50 0 HGAAMP CC[NH+](CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012761602 558461083 /nfs/dbraw/zinc/46/10/83/558461083.db2.gz SYLOHLFJUOEJLK-QHCPKHFHSA-N 2 1 414.594 3.409 50 0 HGAAMP CC[NH+](CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012761602 558461085 /nfs/dbraw/zinc/46/10/85/558461085.db2.gz SYLOHLFJUOEJLK-QHCPKHFHSA-N 2 1 414.594 3.409 50 0 HGAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015070564 558712552 /nfs/dbraw/zinc/71/25/52/558712552.db2.gz CXKCRSYXFAKIBL-GOSISDBHSA-N 2 1 405.539 3.176 50 0 HGAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015070564 558712554 /nfs/dbraw/zinc/71/25/54/558712554.db2.gz CXKCRSYXFAKIBL-GOSISDBHSA-N 2 1 405.539 3.176 50 0 HGAAMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067975611 558862544 /nfs/dbraw/zinc/86/25/44/558862544.db2.gz IKWYCGCLKLZZPR-NRFANRHFSA-N 2 1 410.562 3.296 50 0 HGAAMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067975611 558862546 /nfs/dbraw/zinc/86/25/46/558862546.db2.gz IKWYCGCLKLZZPR-NRFANRHFSA-N 2 1 410.562 3.296 50 0 HGAAMP O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058147597 558902303 /nfs/dbraw/zinc/90/23/03/558902303.db2.gz CXIZJYGEFJRNDW-LAUBAEHRSA-N 2 1 405.970 3.094 50 0 HGAAMP O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058147597 558902306 /nfs/dbraw/zinc/90/23/06/558902306.db2.gz CXIZJYGEFJRNDW-LAUBAEHRSA-N 2 1 405.970 3.094 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098513 559037866 /nfs/dbraw/zinc/03/78/66/559037866.db2.gz WNXNWELRYVHXBL-QFIPXVFZSA-N 2 1 406.574 3.383 50 0 HGAAMP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098513 559037867 /nfs/dbraw/zinc/03/78/67/559037867.db2.gz WNXNWELRYVHXBL-QFIPXVFZSA-N 2 1 406.574 3.383 50 0 HGAAMP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013145614 569409965 /nfs/dbraw/zinc/40/99/65/569409965.db2.gz HPVICPOFRQRDQQ-XMMPIXPASA-N 2 1 410.558 3.202 50 0 HGAAMP CC1CC[NH+](CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000004727888 557587708 /nfs/dbraw/zinc/58/77/08/557587708.db2.gz MEWMEYFRUOQIOW-NRFANRHFSA-N 2 1 401.526 3.292 50 0 HGAAMP O=C(NCCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011665122 558268491 /nfs/dbraw/zinc/26/84/91/558268491.db2.gz MRHQHJGKJVNGSQ-JOCHJYFZSA-N 2 1 406.574 3.117 50 0 HGAAMP O=C(NCCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011665122 558268494 /nfs/dbraw/zinc/26/84/94/558268494.db2.gz MRHQHJGKJVNGSQ-JOCHJYFZSA-N 2 1 406.574 3.117 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000011936158 558300257 /nfs/dbraw/zinc/30/02/57/558300257.db2.gz XGVZGZBZICWGMO-HXUWFJFHSA-N 2 1 411.594 3.166 50 0 HGAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1OC ZINC000012298678 558368628 /nfs/dbraw/zinc/36/86/28/558368628.db2.gz FFMNQJASIBCFAZ-GOSISDBHSA-N 2 1 408.489 3.345 50 0 HGAAMP COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012314666 558378015 /nfs/dbraw/zinc/37/80/15/558378015.db2.gz UCUSIHQMBFEOKF-QFIPXVFZSA-N 2 1 420.594 3.310 50 0 HGAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012314666 558378017 /nfs/dbraw/zinc/37/80/17/558378017.db2.gz UCUSIHQMBFEOKF-QFIPXVFZSA-N 2 1 420.594 3.310 50 0 HGAAMP COc1cc(C[NH+](C)C2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012314666 558378019 /nfs/dbraw/zinc/37/80/19/558378019.db2.gz UCUSIHQMBFEOKF-QFIPXVFZSA-N 2 1 420.594 3.310 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccccn2)C1 ZINC000012706520 558450313 /nfs/dbraw/zinc/45/03/13/558450313.db2.gz MOBHYFRFSQPVTG-FQEVSTJZSA-N 2 1 410.562 3.006 50 0 HGAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2c(F)cccc2F)ccc1OC ZINC000012708528 558451069 /nfs/dbraw/zinc/45/10/69/558451069.db2.gz AJYIXVZADVXGAU-QGZVFWFLSA-N 2 1 408.489 3.345 50 0 HGAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177946 558590976 /nfs/dbraw/zinc/59/09/76/558590976.db2.gz VAXIYHFGOSSRCP-KNQAVFIVSA-N 2 1 404.558 3.442 50 0 HGAAMP COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000014949272 558680439 /nfs/dbraw/zinc/68/04/39/558680439.db2.gz VIQQIXPQBHIMCO-FQEVSTJZSA-N 2 1 419.591 3.366 50 0 HGAAMP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000071663089 558906461 /nfs/dbraw/zinc/90/64/61/558906461.db2.gz NRHMLMBVMRUSOF-QFIPXVFZSA-N 2 1 423.605 3.096 50 0 HGAAMP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000071663089 558906463 /nfs/dbraw/zinc/90/64/63/558906463.db2.gz NRHMLMBVMRUSOF-QFIPXVFZSA-N 2 1 423.605 3.096 50 0 HGAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000095507492 559083328 /nfs/dbraw/zinc/08/33/28/559083328.db2.gz MRKSOMPPZYHOKL-UHFFFAOYSA-N 2 1 400.588 3.477 50 0 HGAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)C1CC[NH+](C)CC1 ZINC000011661953 559126996 /nfs/dbraw/zinc/12/69/96/559126996.db2.gz PTDDOGBFYNNDQJ-LJQANCHMSA-N 2 1 415.578 3.003 50 0 HGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104389396 569008531 /nfs/dbraw/zinc/00/85/31/569008531.db2.gz YBIWAEZTFIKQNX-OAQYLSRUSA-N 2 1 413.528 3.447 50 0 HGAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000241590542 569054808 /nfs/dbraw/zinc/05/48/08/569054808.db2.gz PFUQRTJZTMYNFS-PDXXHEQOSA-N 2 1 400.538 3.449 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC(F)(F)F ZINC000011661579 558265587 /nfs/dbraw/zinc/26/55/87/558265587.db2.gz NGWFSXRHDUXMPD-GOSISDBHSA-N 2 1 407.521 3.000 50 0 HGAAMP COc1ccc(C[N@@H+](C)Cc2ccncc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011665250 558268744 /nfs/dbraw/zinc/26/87/44/558268744.db2.gz OALNVGJPNXJWGU-QFIPXVFZSA-N 2 1 413.562 3.256 50 0 HGAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000011668221 558270030 /nfs/dbraw/zinc/27/00/30/558270030.db2.gz TXWAESPHDVWJLF-XMMPIXPASA-N 2 1 405.542 3.286 50 0 HGAAMP COc1cc(CN(C)CCC[NH+](C)C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011716253 558271648 /nfs/dbraw/zinc/27/16/48/558271648.db2.gz CJNPPHHHSKSXIX-JOCHJYFZSA-N 2 1 421.626 3.083 50 0 HGAAMP COc1cc(C[NH2+]CC2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011878398 558292714 /nfs/dbraw/zinc/29/27/14/558292714.db2.gz JPWPHJSALSOZGT-QFIPXVFZSA-N 2 1 420.594 3.216 50 0 HGAAMP Cc1nn(C)cc1C[N@H+](C)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012091518 558324130 /nfs/dbraw/zinc/32/41/30/558324130.db2.gz UXQLCWHKUYKCCW-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[N@@H+](C)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012091518 558324133 /nfs/dbraw/zinc/32/41/33/558324133.db2.gz UXQLCWHKUYKCCW-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012091518 558324136 /nfs/dbraw/zinc/32/41/36/558324136.db2.gz UXQLCWHKUYKCCW-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012091518 558324139 /nfs/dbraw/zinc/32/41/39/558324139.db2.gz UXQLCWHKUYKCCW-HSZRJFAPSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[N@H+](C)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012091515 558324276 /nfs/dbraw/zinc/32/42/76/558324276.db2.gz UXQLCWHKUYKCCW-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[N@@H+](C)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012091515 558324279 /nfs/dbraw/zinc/32/42/79/558324279.db2.gz UXQLCWHKUYKCCW-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012091515 558324283 /nfs/dbraw/zinc/32/42/83/558324283.db2.gz UXQLCWHKUYKCCW-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP Cc1nn(C)cc1C[NH+](C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012091515 558324286 /nfs/dbraw/zinc/32/42/86/558324286.db2.gz UXQLCWHKUYKCCW-QHCPKHFHSA-N 2 1 414.594 3.365 50 0 HGAAMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012193343 558348563 /nfs/dbraw/zinc/34/85/63/558348563.db2.gz LPUFYBWGKHPQFF-HXUWFJFHSA-N 2 1 422.573 3.197 50 0 HGAAMP CCn1cc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226472 558357071 /nfs/dbraw/zinc/35/70/71/558357071.db2.gz VMBBAXPOLHGQDV-HSZRJFAPSA-N 2 1 408.546 3.065 50 0 HGAAMP CCn1cc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)cn1 ZINC000012431381 558405940 /nfs/dbraw/zinc/40/59/40/558405940.db2.gz YLDGXUBGDVFKKZ-QFIPXVFZSA-N 2 1 400.567 3.197 50 0 HGAAMP C[NH+](C)CCOc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000020778078 558412173 /nfs/dbraw/zinc/41/21/73/558412173.db2.gz HUFOKVRYVIAENK-VWLOTQADSA-N 2 1 422.617 3.414 50 0 HGAAMP C[NH+](C)CCOc1cccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000020778078 558412175 /nfs/dbraw/zinc/41/21/75/558412175.db2.gz HUFOKVRYVIAENK-VWLOTQADSA-N 2 1 422.617 3.414 50 0 HGAAMP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012571225 558429076 /nfs/dbraw/zinc/42/90/76/558429076.db2.gz NIYOVWGDVQIZKQ-NRFANRHFSA-N 2 1 420.594 3.310 50 0 HGAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1OC ZINC000012714076 558454079 /nfs/dbraw/zinc/45/40/79/558454079.db2.gz OTPYETOJGUGYPN-KRWDZBQOSA-N 2 1 408.489 3.345 50 0 HGAAMP COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012744494 558457603 /nfs/dbraw/zinc/45/76/03/558457603.db2.gz QUHJFSNWGAZMSY-FQEVSTJZSA-N 2 1 408.489 3.343 50 0 HGAAMP Cn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000015069809 558711855 /nfs/dbraw/zinc/71/18/55/558711855.db2.gz SKZSXZNLOLIBTC-RUZDIDTESA-N 2 1 408.590 3.281 50 0 HGAAMP Cc1noc(C)c1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082120849 559039320 /nfs/dbraw/zinc/03/93/20/559039320.db2.gz RABBKSBVJBVSCT-QFIPXVFZSA-N 2 1 424.589 3.327 50 0 HGAAMP Cc1noc(C)c1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082120849 559039321 /nfs/dbraw/zinc/03/93/21/559039321.db2.gz RABBKSBVJBVSCT-QFIPXVFZSA-N 2 1 424.589 3.327 50 0 HGAAMP CSCCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091893821 559074368 /nfs/dbraw/zinc/07/43/68/559074368.db2.gz DXXFZDZNXSQUPT-NRFANRHFSA-N 2 1 415.647 3.200 50 0 HGAAMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057273614 568825686 /nfs/dbraw/zinc/82/56/86/568825686.db2.gz UIPWPTLDCAHDFO-GOSISDBHSA-N 2 1 406.530 3.136 50 0 HGAAMP Cn1nccc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012594901 568868817 /nfs/dbraw/zinc/86/88/17/568868817.db2.gz XXGSUCZXDYOJPX-HXUWFJFHSA-N 2 1 401.599 3.003 50 0 HGAAMP C[C@H]1C[N@@H+](CCC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000011842026 568987184 /nfs/dbraw/zinc/98/71/84/568987184.db2.gz FGSJMNRARDTAIL-NZQKXSOJSA-N 2 1 422.573 3.398 50 0 HGAAMP C[N@@H+](CCNC(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000065256031 569208288 /nfs/dbraw/zinc/20/82/88/569208288.db2.gz YTPFRKZRHRFDAN-QHCPKHFHSA-N 2 1 421.589 3.227 50 0 HGAAMP COc1c2c(cc3c1[C@@H](CC(=O)C1(c4ccccc4)CC[NH2+]CC1)[N@H+](C)CC3)OCO2 ZINC000524731500 569212288 /nfs/dbraw/zinc/21/22/88/569212288.db2.gz ACFKGJUPVHJCNO-LJQANCHMSA-N 2 1 422.525 3.234 50 0 biogenic HGAAMP COc1c2c(cc3c1[C@@H](CC(=O)C1(c4ccccc4)CC[NH2+]CC1)[N@@H+](C)CC3)OCO2 ZINC000524731500 569212289 /nfs/dbraw/zinc/21/22/89/569212289.db2.gz ACFKGJUPVHJCNO-LJQANCHMSA-N 2 1 422.525 3.234 50 0 biogenic HGAAMP CN(CC[NH+]1CCCC1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000020537795 522828744 /nfs/dbraw/zinc/82/87/44/522828744.db2.gz KWSAZCPPLSWIQR-QHCPKHFHSA-N 2 1 403.611 3.218 50 0 HGAAMP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011763025 558273647 /nfs/dbraw/zinc/27/36/47/558273647.db2.gz LYUHHTWOWFGBMW-HXUWFJFHSA-N 2 1 402.535 3.454 50 0 HGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccnc2)C1 ZINC000011818525 558281936 /nfs/dbraw/zinc/28/19/36/558281936.db2.gz AWLDAERPAUCVIW-HXUWFJFHSA-N 2 1 410.562 3.006 50 0 HGAAMP Cn1ccnc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298492 558368539 /nfs/dbraw/zinc/36/85/39/558368539.db2.gz LPAALVAXGJTZQG-OAQYLSRUSA-N 2 1 400.542 3.452 50 0 HGAAMP Cn1ccnc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298492 558368543 /nfs/dbraw/zinc/36/85/43/558368543.db2.gz LPAALVAXGJTZQG-OAQYLSRUSA-N 2 1 400.542 3.452 50 0 HGAAMP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)c1C ZINC000020774838 558411741 /nfs/dbraw/zinc/41/17/41/558411741.db2.gz WPXQQEWVAWNXRX-QHCPKHFHSA-N 2 1 403.611 3.053 50 0 HGAAMP Cc1cc(C)n(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)n1 ZINC000012836801 558478392 /nfs/dbraw/zinc/47/83/92/558478392.db2.gz DYIWLBTVLYXQQP-QHCPKHFHSA-N 2 1 414.594 3.294 50 0 HGAAMP Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)N4CC[NH+](CC(C)C)CC4)n3C)C2)cc1 ZINC000065210933 558655319 /nfs/dbraw/zinc/65/53/19/558655319.db2.gz JLXAZIXZJFDUCU-UHFFFAOYSA-N 2 1 408.590 3.306 50 0 HGAAMP Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)N4CC[NH+](CC(C)C)CC4)n3C)C2)cc1 ZINC000065210933 558655324 /nfs/dbraw/zinc/65/53/24/558655324.db2.gz JLXAZIXZJFDUCU-UHFFFAOYSA-N 2 1 408.590 3.306 50 0 HGAAMP COCC[N@H+](Cc1cnn(C)c1C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014957859 558682981 /nfs/dbraw/zinc/68/29/81/558682981.db2.gz KQYPJRCIVCGDGL-UHFFFAOYSA-N 2 1 400.567 3.098 50 0 HGAAMP COC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000014964464 558685240 /nfs/dbraw/zinc/68/52/40/558685240.db2.gz BARYESJIWULGLU-QHCPKHFHSA-N 2 1 410.558 3.095 50 0 HGAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OC ZINC000015070448 558712421 /nfs/dbraw/zinc/71/24/21/558712421.db2.gz XMVCAUFHQCDVFS-NRFANRHFSA-N 2 1 408.583 3.025 50 0 HGAAMP CC[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C1CC1 ZINC000071753916 558909352 /nfs/dbraw/zinc/90/93/52/558909352.db2.gz LVTBCKGBOBFKPO-UHFFFAOYSA-N 2 1 409.578 3.409 50 0 HGAAMP O=C(c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000067885887 558994447 /nfs/dbraw/zinc/99/44/47/558994447.db2.gz YFYHCYUNCCYFSK-OAQYLSRUSA-N 2 1 408.546 3.050 50 0 HGAAMP O=C(c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000067885887 558994449 /nfs/dbraw/zinc/99/44/49/558994449.db2.gz YFYHCYUNCCYFSK-OAQYLSRUSA-N 2 1 408.546 3.050 50 0 HGAAMP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)no1 ZINC000095499325 559081892 /nfs/dbraw/zinc/08/18/92/559081892.db2.gz AKERWWZCFFKRSJ-GOSISDBHSA-N 2 1 402.514 3.038 50 0 HGAAMP C[N@@H+](C[C@@H](O)COc1ccccc1CN1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000095511722 559083994 /nfs/dbraw/zinc/08/39/94/559083994.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@@H](O)COc1ccccc1CN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000095511722 559083995 /nfs/dbraw/zinc/08/39/95/559083995.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP C[NH+](C[C@@H](O)COc1ccccc1CN1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000095511722 559083997 /nfs/dbraw/zinc/08/39/97/559083997.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@H+](Cc2ccccc2OC[C@H](O)C[NH+](C)C2CCCCC2)CC1(C)C ZINC000095511722 559083998 /nfs/dbraw/zinc/08/39/98/559083998.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[N@@H+](Cc2ccccc2OC[C@H](O)C[NH+](C)C2CCCCC2)CC1(C)C ZINC000095511722 559084001 /nfs/dbraw/zinc/08/40/01/559084001.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)CC1(C)C ZINC000095511722 559084003 /nfs/dbraw/zinc/08/40/03/559084003.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP CN1CC[NH+](Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000095511722 559084005 /nfs/dbraw/zinc/08/40/05/559084005.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 1 403.611 3.217 50 0 HGAAMP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012091237 560888930 /nfs/dbraw/zinc/88/89/30/560888930.db2.gz ZIYADNQEBZUUSS-OAQYLSRUSA-N 2 1 404.526 3.247 50 0 HGAAMP CC[N@H+]1CCC[C@@H]1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786145 568875675 /nfs/dbraw/zinc/87/56/75/568875675.db2.gz PKOXLRGRQNVLSL-DLBZAZTESA-N 2 1 407.942 3.024 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000036395393 569168766 /nfs/dbraw/zinc/16/87/66/569168766.db2.gz YFRVCXMULMTCAR-YOSAUDMPSA-N 2 1 407.558 3.300 50 0 HGAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000036395393 569168768 /nfs/dbraw/zinc/16/87/68/569168768.db2.gz YFRVCXMULMTCAR-YOSAUDMPSA-N 2 1 407.558 3.300 50 0 HGAAMP C[N@H+]1CCN(CC[NH2+][C@@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484666 569289167 /nfs/dbraw/zinc/28/91/67/569289167.db2.gz GDZFPBFYBQNEBB-PMACEKPBSA-N 2 1 408.631 3.170 50 0 HGAAMP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1)C1CC[NH+](C)CC1 ZINC000011663658 558267265 /nfs/dbraw/zinc/26/72/65/558267265.db2.gz KMNOZNATIIRNRB-LJQANCHMSA-N 2 1 411.594 3.118 50 0 HGAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1)C1CC[NH+](C)CC1 ZINC000011663658 558267268 /nfs/dbraw/zinc/26/72/68/558267268.db2.gz KMNOZNATIIRNRB-LJQANCHMSA-N 2 1 411.594 3.118 50 0 HGAAMP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccccc2OCCO)C1 ZINC000011817857 558281267 /nfs/dbraw/zinc/28/12/67/558281267.db2.gz QQABBQIJPJJSTC-OAQYLSRUSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccccc2OCCO)C1 ZINC000011817857 558281269 /nfs/dbraw/zinc/28/12/69/558281269.db2.gz QQABBQIJPJJSTC-OAQYLSRUSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccccc2OCCO)C1 ZINC000011817857 558281272 /nfs/dbraw/zinc/28/12/72/558281272.db2.gz QQABBQIJPJJSTC-OAQYLSRUSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccccc2OCCO)C1 ZINC000011817857 558281273 /nfs/dbraw/zinc/28/12/73/558281273.db2.gz QQABBQIJPJJSTC-OAQYLSRUSA-N 2 1 412.574 3.453 50 0 HGAAMP COc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012019844 558309120 /nfs/dbraw/zinc/30/91/20/558309120.db2.gz NOSNVOHXEFWSBT-NRFANRHFSA-N 2 1 416.562 3.286 50 0 HGAAMP COc1cc(C[NH+](C)CCOc2ccccc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012019844 558309123 /nfs/dbraw/zinc/30/91/23/558309123.db2.gz NOSNVOHXEFWSBT-NRFANRHFSA-N 2 1 416.562 3.286 50 0 HGAAMP COc1cc(C[NH+](C)CCOc2ccccc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012019844 558309126 /nfs/dbraw/zinc/30/91/26/558309126.db2.gz NOSNVOHXEFWSBT-NRFANRHFSA-N 2 1 416.562 3.286 50 0 HGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000012055655 558315963 /nfs/dbraw/zinc/31/59/63/558315963.db2.gz XRHYENVHHQSJBD-FQEVSTJZSA-N 2 1 405.558 3.427 50 0 HGAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000012058571 558316936 /nfs/dbraw/zinc/31/69/36/558316936.db2.gz FTODJFGJQSJMCE-GOSISDBHSA-N 2 1 415.578 3.257 50 0 HGAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000012058571 558316939 /nfs/dbraw/zinc/31/69/39/558316939.db2.gz FTODJFGJQSJMCE-GOSISDBHSA-N 2 1 415.578 3.257 50 0 HGAAMP C[NH+](C)CCC[N@@H+](CCCn1cccn1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020454630 558368564 /nfs/dbraw/zinc/36/85/64/558368564.db2.gz QYZQAOMDXKORLG-UHFFFAOYSA-N 3 1 423.649 3.406 50 0 HGAAMP CN(C)CCC[N@H+](CCCn1cccn1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020454630 558368565 /nfs/dbraw/zinc/36/85/65/558368565.db2.gz QYZQAOMDXKORLG-UHFFFAOYSA-N 2 1 423.649 3.406 50 0 HGAAMP CN(C)CCC[N@@H+](CCCn1cccn1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020454630 558368566 /nfs/dbraw/zinc/36/85/66/558368566.db2.gz QYZQAOMDXKORLG-UHFFFAOYSA-N 2 1 423.649 3.406 50 0 HGAAMP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012303617 558373150 /nfs/dbraw/zinc/37/31/50/558373150.db2.gz YRBKKOCETNSDKO-QFIPXVFZSA-N 2 1 400.563 3.416 50 0 HGAAMP COCC[NH+]1CCC(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000012434092 558408056 /nfs/dbraw/zinc/40/80/56/558408056.db2.gz OILDEJVXXZIQEO-QHCPKHFHSA-N 2 1 412.578 3.416 50 0 HGAAMP CCc1ccc(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)cc1 ZINC000012836427 558478453 /nfs/dbraw/zinc/47/84/53/558478453.db2.gz IYPYDFCDURZAJN-DEOSSOPVSA-N 2 1 412.574 3.077 50 0 HGAAMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505910 558560284 /nfs/dbraw/zinc/56/02/84/558560284.db2.gz UONLGUZLAWTBBK-SFTDATJTSA-N 2 1 421.626 3.153 50 0 HGAAMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505910 558560286 /nfs/dbraw/zinc/56/02/86/558560286.db2.gz UONLGUZLAWTBBK-SFTDATJTSA-N 2 1 421.626 3.153 50 0 HGAAMP COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014955133 558682156 /nfs/dbraw/zinc/68/21/56/558682156.db2.gz JDZDILWHUDRNRR-OAQYLSRUSA-N 2 1 416.562 3.082 50 0 HGAAMP COc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015073027 558714040 /nfs/dbraw/zinc/71/40/40/558714040.db2.gz DGZPMULAIWOWSU-IBGZPJMESA-N 2 1 421.607 3.181 50 0 HGAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2ccncc2C)ccc1OC ZINC000015075931 558716282 /nfs/dbraw/zinc/71/62/82/558716282.db2.gz PQWTWLSDMZUNBA-OAQYLSRUSA-N 2 1 401.551 3.112 50 0 HGAAMP COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000015075803 558716366 /nfs/dbraw/zinc/71/63/66/558716366.db2.gz PGVTXEWUVSMGAD-OAQYLSRUSA-N 2 1 418.603 3.410 50 0 HGAAMP C[C@@H]1CCC[N@H+]1Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000071712024 558907220 /nfs/dbraw/zinc/90/72/20/558907220.db2.gz OFBQXGIJXWATCH-LJQANCHMSA-N 2 1 409.578 3.409 50 0 HGAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000095347277 559079515 /nfs/dbraw/zinc/07/95/15/559079515.db2.gz HSEROLWALFISAF-OYRHEFFESA-N 2 1 413.606 3.307 50 0 HGAAMP Cc1n[nH]cc1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095520893 559085306 /nfs/dbraw/zinc/08/53/06/559085306.db2.gz YKELGZBZZMLRNF-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1n[nH]cc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095520893 559085308 /nfs/dbraw/zinc/08/53/08/559085308.db2.gz YKELGZBZZMLRNF-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Cc1n[nH]cc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095520893 559085311 /nfs/dbraw/zinc/08/53/11/559085311.db2.gz YKELGZBZZMLRNF-QFIPXVFZSA-N 2 1 400.567 3.354 50 0 HGAAMP Brc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc2c1OCO2 ZINC000017318169 560708795 /nfs/dbraw/zinc/70/87/95/560708795.db2.gz ZHELQCFLLIIQPC-UHFFFAOYSA-N 2 1 419.319 3.300 50 0 HGAAMP C[N@H+]1CCN(CC[NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484668 569289162 /nfs/dbraw/zinc/28/91/62/569289162.db2.gz GDZFPBFYBQNEBB-VQTJNVASSA-N 2 1 408.631 3.170 50 0 HGAAMP O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040050462 571143971 /nfs/dbraw/zinc/14/39/71/571143971.db2.gz POKNJVITGNFJOY-DEOSSOPVSA-N 2 1 421.585 3.428 50 0 HGAAMP