smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000014966867 558686163 /nfs/dbraw/zinc/68/61/63/558686163.db2.gz ZXOSADAANWGBPB-QGZVFWFLSA-N 2 2 410.512 4.774 50 0 HJAALP COc1cccc(-n2cc(C[N@H+](C)Cc3cc(C[NH+]4CCCCC4)cs3)cn2)c1 ZINC000670438217 568883521 /nfs/dbraw/zinc/88/35/21/568883521.db2.gz XDHBAILWMAAZSC-UHFFFAOYSA-N 2 2 410.587 4.560 50 0 HJAALP COc1cccc(-n2cc(C[N@@H+](C)Cc3cc(C[NH+]4CCCCC4)cs3)cn2)c1 ZINC000670438217 568883523 /nfs/dbraw/zinc/88/35/23/568883523.db2.gz XDHBAILWMAAZSC-UHFFFAOYSA-N 2 2 410.587 4.560 50 0 HJAALP Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000011819103 558282467 /nfs/dbraw/zinc/28/24/67/558282467.db2.gz CVICVDQVEFBXHF-UHFFFAOYSA-N 2 2 407.468 4.502 50 0 HJAALP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000034878938 558786635 /nfs/dbraw/zinc/78/66/35/558786635.db2.gz MMGXPTDKVLAJNE-IBGZPJMESA-N 2 2 403.313 4.550 50 0 HJAALP Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000012313974 132358328 /nfs/dbraw/zinc/35/83/28/132358328.db2.gz PXJUYWWFFQOXBS-UHFFFAOYSA-N 2 2 409.537 4.769 50 0 HJAALP CCCCOc1cccc(NC(=O)OC(C[NH+]2CCCCC2)C[NH+]2CCCCC2)c1 ZINC000004566959 557568245 /nfs/dbraw/zinc/56/82/45/557568245.db2.gz GMGXZNDWCDKLQE-UHFFFAOYSA-N 2 2 417.594 4.754 50 0 HJAALP O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000008229969 568983531 /nfs/dbraw/zinc/98/35/31/568983531.db2.gz XZLFABKHTFJXLB-RUZDIDTESA-N 2 2 417.528 4.891 50 0 HJAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC000011820243 558283677 /nfs/dbraw/zinc/28/36/77/558283677.db2.gz NTEVQWHEWJHGLO-INIZCTEOSA-N 2 2 414.962 4.746 50 0 HJAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC000011820243 558283681 /nfs/dbraw/zinc/28/36/81/558283681.db2.gz NTEVQWHEWJHGLO-INIZCTEOSA-N 2 2 414.962 4.746 50 0 HJAALP CCCCc1[nH]c(CN(CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c[nH+]1 ZINC000012302501 558372115 /nfs/dbraw/zinc/37/21/15/558372115.db2.gz VALXXWRJHMIXPQ-QFIPXVFZSA-N 2 2 412.622 4.538 50 0 HJAALP CCCCc1[nH]c(CN(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c[nH+]1 ZINC000012302501 558372118 /nfs/dbraw/zinc/37/21/18/558372118.db2.gz VALXXWRJHMIXPQ-QFIPXVFZSA-N 2 2 412.622 4.538 50 0 HJAALP Cc1cccn2cc(-c3ccc(NC(=O)NC[C@@H](c4cccs4)[NH+](C)C)cc3)[nH+]c12 ZINC000048300193 568437234 /nfs/dbraw/zinc/43/72/34/568437234.db2.gz GVDTWLUFKDUWGN-FQEVSTJZSA-N 2 2 419.554 4.796 50 0 HJAALP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007984031 568964026 /nfs/dbraw/zinc/96/40/26/568964026.db2.gz VIZFQUDZMAXHQJ-ZDUSSCGKSA-N 2 2 409.383 4.926 50 0 HJAALP Brc1cccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000006140178 569014252 /nfs/dbraw/zinc/01/42/52/569014252.db2.gz YEDXXHGOLHEHCV-UHFFFAOYSA-N 2 2 413.363 4.897 50 0 HJAALP CCCCOc1ccccc1NC(=O)OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000004566960 557568297 /nfs/dbraw/zinc/56/82/97/557568297.db2.gz GCROLQGWKKLTMW-UHFFFAOYSA-N 2 2 417.594 4.754 50 0 HJAALP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000072289473 558722036 /nfs/dbraw/zinc/72/20/36/558722036.db2.gz MDGBKVWKPVKBQN-NRFANRHFSA-N 2 2 408.933 4.931 50 0 HJAALP O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000008229967 568983481 /nfs/dbraw/zinc/98/34/81/568983481.db2.gz XZLFABKHTFJXLB-VWLOTQADSA-N 2 2 417.528 4.891 50 0 HJAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000004109092 537068424 /nfs/dbraw/zinc/06/84/24/537068424.db2.gz IGRPYBYIVBGXDJ-UHFFFAOYSA-N 2 2 415.581 4.635 50 0 HJAALP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204845 558352411 /nfs/dbraw/zinc/35/24/11/558352411.db2.gz CQHXXUBKGMOOTH-FQEVSTJZSA-N 2 2 405.508 4.795 50 0 HJAALP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204845 558352413 /nfs/dbraw/zinc/35/24/13/558352413.db2.gz CQHXXUBKGMOOTH-FQEVSTJZSA-N 2 2 405.508 4.795 50 0 HJAALP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204845 558352415 /nfs/dbraw/zinc/35/24/15/558352415.db2.gz CQHXXUBKGMOOTH-FQEVSTJZSA-N 2 2 405.508 4.795 50 0 HJAALP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204845 558352420 /nfs/dbraw/zinc/35/24/20/558352420.db2.gz CQHXXUBKGMOOTH-FQEVSTJZSA-N 2 2 405.508 4.795 50 0 HJAALP CCn1c2ccccc2c2cc(C[NH+]3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc21 ZINC000012363297 558387543 /nfs/dbraw/zinc/38/75/43/558387543.db2.gz OCQAVVZNWYMGNQ-BGYRXZFFSA-N 2 2 405.586 4.888 50 0 HJAALP CCn1c2ccccc2c2cc(C[NH+]3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc21 ZINC000012363297 558387545 /nfs/dbraw/zinc/38/75/45/558387545.db2.gz OCQAVVZNWYMGNQ-BGYRXZFFSA-N 2 2 405.586 4.888 50 0 HJAALP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000072289472 558721929 /nfs/dbraw/zinc/72/19/29/558721929.db2.gz MDGBKVWKPVKBQN-OAQYLSRUSA-N 2 2 408.933 4.931 50 0 HJAALP Cc1cccn2cc(-c3ccc(NC(=O)NC[C@H](c4cccs4)[NH+](C)C)cc3)[nH+]c12 ZINC000048300194 568437343 /nfs/dbraw/zinc/43/73/43/568437343.db2.gz GVDTWLUFKDUWGN-HXUWFJFHSA-N 2 2 419.554 4.796 50 0 HJAALP CCn1c2ccccc2nc1C[N@H+](C)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011663385 558267002 /nfs/dbraw/zinc/26/70/02/558267002.db2.gz DNLBTQCOIICAPP-FQEVSTJZSA-N 2 2 408.565 4.582 50 0 HJAALP CCn1c2ccccc2nc1C[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011663385 558267004 /nfs/dbraw/zinc/26/70/04/558267004.db2.gz DNLBTQCOIICAPP-FQEVSTJZSA-N 2 2 408.565 4.582 50 0 HJAALP CCn1c2ccccc2nc1C[NH+](C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011663385 558267006 /nfs/dbraw/zinc/26/70/06/558267006.db2.gz DNLBTQCOIICAPP-FQEVSTJZSA-N 2 2 408.565 4.582 50 0 HJAALP CCn1c2ccccc2nc1C[NH+](C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011663385 558267008 /nfs/dbraw/zinc/26/70/08/558267008.db2.gz DNLBTQCOIICAPP-FQEVSTJZSA-N 2 2 408.565 4.582 50 0 HJAALP Fc1ccc(-n2cc(C[NH2+]CCCn3cc[nH+]c3)c(-c3ccccc3Cl)n2)cc1 ZINC000015080577 558718781 /nfs/dbraw/zinc/71/87/81/558718781.db2.gz WWFZRTYAZNXRKE-UHFFFAOYSA-N 2 2 409.896 4.708 50 0 HJAALP COc1ccc([C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)[NH+]2CCCC2)cc1 ZINC000030545072 558732426 /nfs/dbraw/zinc/73/24/26/558732426.db2.gz WGFDJTOIQTZZLV-AREMUKBSSA-N 2 2 417.553 4.596 50 0 HJAALP COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1C[NH+]1CCOCC1 ZINC000033087067 558760559 /nfs/dbraw/zinc/76/05/59/558760559.db2.gz BZBSEZOIHKBOSM-DEOSSOPVSA-N 2 2 412.549 4.784 50 0 HJAALP COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1C[NH+]1CCOCC1 ZINC000033087067 558760562 /nfs/dbraw/zinc/76/05/62/558760562.db2.gz BZBSEZOIHKBOSM-DEOSSOPVSA-N 2 2 412.549 4.784 50 0 HJAALP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053421 558870909 /nfs/dbraw/zinc/87/09/09/558870909.db2.gz LXLBVYFWVQXTJA-SFHVURJKSA-N 2 2 420.956 4.580 50 0 HJAALP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053421 558870910 /nfs/dbraw/zinc/87/09/10/558870910.db2.gz LXLBVYFWVQXTJA-SFHVURJKSA-N 2 2 420.956 4.580 50 0 HJAALP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053421 558870911 /nfs/dbraw/zinc/87/09/11/558870911.db2.gz LXLBVYFWVQXTJA-SFHVURJKSA-N 2 2 420.956 4.580 50 0 HJAALP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053421 558870912 /nfs/dbraw/zinc/87/09/12/558870912.db2.gz LXLBVYFWVQXTJA-SFHVURJKSA-N 2 2 420.956 4.580 50 0 HJAALP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(C3CCCC3)s2)C[C@H]1CO ZINC000020600177 524030763 /nfs/dbraw/zinc/03/07/63/524030763.db2.gz VRWJOWOJZYXLBL-IEGUWTFLSA-N 2 2 402.579 4.688 50 0 HJAALP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(C3CCCC3)s2)C[C@H]1CO ZINC000020600177 524030765 /nfs/dbraw/zinc/03/07/65/524030765.db2.gz VRWJOWOJZYXLBL-IEGUWTFLSA-N 2 2 402.579 4.688 50 0 HJAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC000011820242 558283784 /nfs/dbraw/zinc/28/37/84/558283784.db2.gz NTEVQWHEWJHGLO-MRXNPFEDSA-N 2 2 414.962 4.746 50 0 HJAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC000011820242 558283787 /nfs/dbraw/zinc/28/37/87/558283787.db2.gz NTEVQWHEWJHGLO-MRXNPFEDSA-N 2 2 414.962 4.746 50 0 HJAALP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000011879966 558294772 /nfs/dbraw/zinc/29/47/72/558294772.db2.gz TYBOYMFGJQTLMO-UHFFFAOYSA-N 2 2 422.548 4.521 50 0 HJAALP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000011879966 558294776 /nfs/dbraw/zinc/29/47/76/558294776.db2.gz TYBOYMFGJQTLMO-UHFFFAOYSA-N 2 2 422.548 4.521 50 0 HJAALP COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1C[NH+]1CCOCC1 ZINC000033087065 558760633 /nfs/dbraw/zinc/76/06/33/558760633.db2.gz DRGPSXAPPNAWPC-NRFANRHFSA-N 2 2 400.588 4.706 50 0 HJAALP COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1C[NH+]1CCOCC1 ZINC000033087065 558760637 /nfs/dbraw/zinc/76/06/37/558760637.db2.gz DRGPSXAPPNAWPC-NRFANRHFSA-N 2 2 400.588 4.706 50 0 HJAALP O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000006862669 569158372 /nfs/dbraw/zinc/15/83/72/569158372.db2.gz FFHZEKQEOYRNLI-VWLOTQADSA-N 2 2 417.528 4.760 50 0 HJAALP CC[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011664354 558267889 /nfs/dbraw/zinc/26/78/89/558267889.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 2 2 412.528 4.618 50 0 HJAALP CC[N@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011664354 558267890 /nfs/dbraw/zinc/26/78/90/558267890.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 2 2 412.528 4.618 50 0 HJAALP CC[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011664354 558267891 /nfs/dbraw/zinc/26/78/91/558267891.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 2 2 412.528 4.618 50 0 HJAALP CC[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011664354 558267892 /nfs/dbraw/zinc/26/78/92/558267892.db2.gz XMCDJYZDHLYEKB-LJQANCHMSA-N 2 2 412.528 4.618 50 0 HJAALP CCn1ccnc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011820212 558283278 /nfs/dbraw/zinc/28/32/78/558283278.db2.gz BVIKJNBMBBUBQS-UHFFFAOYSA-N 2 2 417.601 4.521 50 0 HJAALP CCn1ccnc1C[N@H+](Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011820212 558283281 /nfs/dbraw/zinc/28/32/81/558283281.db2.gz BVIKJNBMBBUBQS-UHFFFAOYSA-N 2 2 417.601 4.521 50 0 HJAALP CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012591378 558436003 /nfs/dbraw/zinc/43/60/03/558436003.db2.gz RRXBXQGCLKFMOB-QHCPKHFHSA-N 2 2 422.548 4.872 50 0 HJAALP c1csc(-c2ccc(C[NH2+]CC[NH2+]Cc3ccc(-c4nccs4)cc3)cc2)n1 ZINC000215968880 568462649 /nfs/dbraw/zinc/46/26/49/568462649.db2.gz FRTSLZJCGAFSET-UHFFFAOYSA-N 2 2 406.580 4.813 50 0 HJAALP O=C(C[NH+]1CCCCCC1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000000823177 568498702 /nfs/dbraw/zinc/49/87/02/568498702.db2.gz BWWLYRLALUIWST-UHFFFAOYSA-N 2 2 414.553 4.612 50 0 HJAALP CC[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011708130 558270742 /nfs/dbraw/zinc/27/07/42/558270742.db2.gz OHQBJNFGLRJNBY-NRFANRHFSA-N 2 2 422.548 4.652 50 0 HJAALP CC[N@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011708130 558270745 /nfs/dbraw/zinc/27/07/45/558270745.db2.gz OHQBJNFGLRJNBY-NRFANRHFSA-N 2 2 422.548 4.652 50 0 HJAALP CC[NH+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011708130 558270748 /nfs/dbraw/zinc/27/07/48/558270748.db2.gz OHQBJNFGLRJNBY-NRFANRHFSA-N 2 2 422.548 4.652 50 0 HJAALP CC[NH+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011708130 558270752 /nfs/dbraw/zinc/27/07/52/558270752.db2.gz OHQBJNFGLRJNBY-NRFANRHFSA-N 2 2 422.548 4.652 50 0 HJAALP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1-c1cccc(F)c1 ZINC000011817811 558280907 /nfs/dbraw/zinc/28/09/07/558280907.db2.gz OFFVAGDRJPBWDL-LJQANCHMSA-N 2 2 406.549 4.678 50 0 HJAALP Clc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3[nH+]2)cc1Cl ZINC000019799747 558285368 /nfs/dbraw/zinc/28/53/68/558285368.db2.gz QYZBWHBNUGCZGC-UHFFFAOYSA-N 2 2 415.324 4.595 50 0 HJAALP CCn1c2ccccc2c2cc(C[NH+]3CCC([NH+]4C[C@@H](C)O[C@H](C)C4)CC3)ccc21 ZINC000019889041 558302410 /nfs/dbraw/zinc/30/24/10/558302410.db2.gz OCQAVVZNWYMGNQ-WOJBJXKFSA-N 2 2 405.586 4.888 50 0 HJAALP c1cncc(C[NH+](Cc2ccc3nonc3c2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012075287 558319374 /nfs/dbraw/zinc/31/93/74/558319374.db2.gz HOTPJMJTTJXBRJ-JOCHJYFZSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[NH+](Cc2ccc3nonc3c2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012075287 558319378 /nfs/dbraw/zinc/31/93/78/558319378.db2.gz HOTPJMJTTJXBRJ-JOCHJYFZSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@@H+](Cc2ccc3nonc3c2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012075287 558319380 /nfs/dbraw/zinc/31/93/80/558319380.db2.gz HOTPJMJTTJXBRJ-JOCHJYFZSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@H+](Cc2ccc3nonc3c2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012075287 558319383 /nfs/dbraw/zinc/31/93/83/558319383.db2.gz HOTPJMJTTJXBRJ-JOCHJYFZSA-N 2 2 419.573 4.665 50 0 HJAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000019223526 558852303 /nfs/dbraw/zinc/85/23/03/558852303.db2.gz GUTBCWSWTOJUFP-SFHVURJKSA-N 2 2 424.539 4.817 50 0 HJAALP CCc1[nH]c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)c(C)[nH+]1 ZINC000012301598 568464159 /nfs/dbraw/zinc/46/41/59/568464159.db2.gz DBBOLMICLOLCQZ-MRXNPFEDSA-N 2 2 418.969 4.573 50 0 HJAALP CCc1[nH]c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)c(C)[nH+]1 ZINC000012301598 568464161 /nfs/dbraw/zinc/46/41/61/568464161.db2.gz DBBOLMICLOLCQZ-MRXNPFEDSA-N 2 2 418.969 4.573 50 0 HJAALP O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000006862671 569158392 /nfs/dbraw/zinc/15/83/92/569158392.db2.gz FFHZEKQEOYRNLI-RUZDIDTESA-N 2 2 417.528 4.760 50 0 HJAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000170676419 569297894 /nfs/dbraw/zinc/29/78/94/569297894.db2.gz ZJEFCFNVEYCLRD-GOSISDBHSA-N 2 2 410.949 4.502 50 0 HJAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000170676419 569297895 /nfs/dbraw/zinc/29/78/95/569297895.db2.gz ZJEFCFNVEYCLRD-GOSISDBHSA-N 2 2 410.949 4.502 50 0 HJAALP Cc1[nH+]c2ccc(Br)cc2c(NCc2ccc(-n3cc[nH+]c3)nc2)c1C ZINC000078903694 569421656 /nfs/dbraw/zinc/42/16/56/569421656.db2.gz UAYREDRTGWHBOW-UHFFFAOYSA-N 2 2 408.303 4.807 50 0 HJAALP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCC[C@@H]3c3[nH]cc[nH+]3)c2c1C ZINC000079017501 569424028 /nfs/dbraw/zinc/42/40/28/569424028.db2.gz GWUKVWWJVBBYTP-GOSISDBHSA-N 2 2 424.618 4.995 50 0 HJAALP CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012056795 558316207 /nfs/dbraw/zinc/31/62/07/558316207.db2.gz BZMJUXOHZMEAQF-QHCPKHFHSA-N 2 2 404.558 4.733 50 0 HJAALP CCCCc1[nH]c(CN(CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c[nH+]1 ZINC000012302505 558372134 /nfs/dbraw/zinc/37/21/34/558372134.db2.gz VALXXWRJHMIXPQ-JOCHJYFZSA-N 2 2 412.622 4.538 50 0 HJAALP CCCCc1[nH]c(CN(CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c[nH+]1 ZINC000012302505 558372137 /nfs/dbraw/zinc/37/21/37/558372137.db2.gz VALXXWRJHMIXPQ-JOCHJYFZSA-N 2 2 412.622 4.538 50 0 HJAALP CCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000012305173 558374081 /nfs/dbraw/zinc/37/40/81/558374081.db2.gz YCJJQOGMXYHNLE-HSZRJFAPSA-N 2 2 422.573 4.541 50 0 HJAALP CCC[NH+]1CCC([N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000012305173 558374084 /nfs/dbraw/zinc/37/40/84/558374084.db2.gz YCJJQOGMXYHNLE-HSZRJFAPSA-N 2 2 422.573 4.541 50 0 HJAALP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000033039568 558868575 /nfs/dbraw/zinc/86/85/75/558868575.db2.gz ORJHHNSALVKOQC-KGLIPLIRSA-N 2 2 403.313 4.857 50 0 HJAALP CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(C(C)(C)C)cc2)c1=[NH2+] ZINC000020069485 558330586 /nfs/dbraw/zinc/33/05/86/558330586.db2.gz JMMHUBZWCGFECS-UHFFFAOYSA-N 2 2 408.590 4.641 50 0 HJAALP Cc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204853 558352516 /nfs/dbraw/zinc/35/25/16/558352516.db2.gz CQHXXUBKGMOOTH-HXUWFJFHSA-N 2 2 405.508 4.795 50 0 HJAALP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204853 558352519 /nfs/dbraw/zinc/35/25/19/558352519.db2.gz CQHXXUBKGMOOTH-HXUWFJFHSA-N 2 2 405.508 4.795 50 0 HJAALP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204853 558352522 /nfs/dbraw/zinc/35/25/22/558352522.db2.gz CQHXXUBKGMOOTH-HXUWFJFHSA-N 2 2 405.508 4.795 50 0 HJAALP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012204853 558352525 /nfs/dbraw/zinc/35/25/25/558352525.db2.gz CQHXXUBKGMOOTH-HXUWFJFHSA-N 2 2 405.508 4.795 50 0 HJAALP Brc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000013146973 558523150 /nfs/dbraw/zinc/52/31/50/558523150.db2.gz HONMOBIEDAAPGC-UHFFFAOYSA-N 2 2 413.363 4.897 50 0 HJAALP CCc1[nH]c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)c(C)[nH+]1 ZINC000012301594 568464099 /nfs/dbraw/zinc/46/40/99/568464099.db2.gz DBBOLMICLOLCQZ-INIZCTEOSA-N 2 2 418.969 4.573 50 0 HJAALP CCc1[nH]c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)c(C)[nH+]1 ZINC000012301594 568464100 /nfs/dbraw/zinc/46/41/00/568464100.db2.gz DBBOLMICLOLCQZ-INIZCTEOSA-N 2 2 418.969 4.573 50 0 HJAALP COc1ccccc1C[NH+]1CCC([NH2+]Cc2cc3ccc(C)cc3nc2Cl)CC1 ZINC000058007836 568875175 /nfs/dbraw/zinc/87/51/75/568875175.db2.gz PMYBNIRWBNLOJD-UHFFFAOYSA-N 2 2 409.961 4.959 50 0 HJAALP CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000012305175 558374175 /nfs/dbraw/zinc/37/41/75/558374175.db2.gz YCJJQOGMXYHNLE-QHCPKHFHSA-N 2 2 422.573 4.541 50 0 HJAALP CCC[NH+]1CCC([N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000012305175 558374178 /nfs/dbraw/zinc/37/41/78/558374178.db2.gz YCJJQOGMXYHNLE-QHCPKHFHSA-N 2 2 422.573 4.541 50 0 HJAALP CCCCc1[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH+]1 ZINC000072440151 558981427 /nfs/dbraw/zinc/98/14/27/558981427.db2.gz MEHFGNNSALYJGI-DEOSSOPVSA-N 2 2 400.611 4.537 50 0 HJAALP CCCCc1[nH]c(C[N@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH+]1 ZINC000072440151 558981431 /nfs/dbraw/zinc/98/14/31/558981431.db2.gz MEHFGNNSALYJGI-DEOSSOPVSA-N 2 2 400.611 4.537 50 0 HJAALP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095350716 568600972 /nfs/dbraw/zinc/60/09/72/568600972.db2.gz ORJHHNSALVKOQC-ZIAGYGMSSA-N 2 2 403.313 4.857 50 0 HJAALP Brc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCCC2)cc1 ZINC000004855355 557607005 /nfs/dbraw/zinc/60/70/05/557607005.db2.gz IKWOHMXFHPIWAY-UHFFFAOYSA-N 2 2 409.331 4.814 50 0 HJAALP c1c(-c2ccc(-c3ccccc3)cc2)[nH+]c2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000019757173 558274829 /nfs/dbraw/zinc/27/48/29/558274829.db2.gz WDTBSLLEZWATIH-UHFFFAOYSA-N 2 2 422.532 4.955 50 0 HJAALP COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000023366919 558552848 /nfs/dbraw/zinc/55/28/48/558552848.db2.gz AMOWWKPWEQPMRY-UHFFFAOYSA-N 2 2 416.569 4.608 50 0 HJAALP C[N@H+](CCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000015064264 558707266 /nfs/dbraw/zinc/70/72/66/558707266.db2.gz FJVBAHJNRZPVTO-UHFFFAOYSA-N 2 2 411.509 4.673 50 0 HJAALP C[N@@H+](CCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000015064264 558707267 /nfs/dbraw/zinc/70/72/67/558707267.db2.gz FJVBAHJNRZPVTO-UHFFFAOYSA-N 2 2 411.509 4.673 50 0 HJAALP COc1ccc([C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)[NH+]2CCCC2)cc1 ZINC000030545074 558732461 /nfs/dbraw/zinc/73/24/61/558732461.db2.gz WGFDJTOIQTZZLV-SANMLTNESA-N 2 2 417.553 4.596 50 0 HJAALP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060440 558870875 /nfs/dbraw/zinc/87/08/75/558870875.db2.gz NLPGJEYPVMXWQX-FQEVSTJZSA-N 2 2 416.993 4.744 50 0 HJAALP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060440 558870877 /nfs/dbraw/zinc/87/08/77/558870877.db2.gz NLPGJEYPVMXWQX-FQEVSTJZSA-N 2 2 416.993 4.744 50 0 HJAALP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060440 558870879 /nfs/dbraw/zinc/87/08/79/558870879.db2.gz NLPGJEYPVMXWQX-FQEVSTJZSA-N 2 2 416.993 4.744 50 0 HJAALP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060440 558870881 /nfs/dbraw/zinc/87/08/81/558870881.db2.gz NLPGJEYPVMXWQX-FQEVSTJZSA-N 2 2 416.993 4.744 50 0 HJAALP CCOc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1OC ZINC000004625987 558890152 /nfs/dbraw/zinc/89/01/52/558890152.db2.gz WODGQGPSBMXQDL-UHFFFAOYSA-N 2 2 408.546 4.542 50 0 HJAALP CCn1c2ccccc2c2cc(C[NH+]3CCC([NH+]4C[C@H](C)O[C@@H](C)C4)CC3)ccc21 ZINC000019889039 558302506 /nfs/dbraw/zinc/30/25/06/558302506.db2.gz OCQAVVZNWYMGNQ-PMACEKPBSA-N 2 2 405.586 4.888 50 0 HJAALP Cc1c[nH]c(CC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)[nH+]1 ZINC000011935667 558299693 /nfs/dbraw/zinc/29/96/93/558299693.db2.gz RIVAYWJLHKQSQY-UHFFFAOYSA-N 2 2 409.896 4.696 50 0 HJAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000014966871 558686192 /nfs/dbraw/zinc/68/61/92/558686192.db2.gz ZXOSADAANWGBPB-KRWDZBQOSA-N 2 2 410.512 4.774 50 0 HJAALP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053423 558870915 /nfs/dbraw/zinc/87/09/15/558870915.db2.gz LXLBVYFWVQXTJA-GOSISDBHSA-N 2 2 420.956 4.580 50 0 HJAALP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053423 558870916 /nfs/dbraw/zinc/87/09/16/558870916.db2.gz LXLBVYFWVQXTJA-GOSISDBHSA-N 2 2 420.956 4.580 50 0 HJAALP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053423 558870917 /nfs/dbraw/zinc/87/09/17/558870917.db2.gz LXLBVYFWVQXTJA-GOSISDBHSA-N 2 2 420.956 4.580 50 0 HJAALP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000055053423 558870918 /nfs/dbraw/zinc/87/09/18/558870918.db2.gz LXLBVYFWVQXTJA-GOSISDBHSA-N 2 2 420.956 4.580 50 0 HJAALP CSc1ccc(-c2nc(C[NH+]3CCN(c4cc(C)[nH+]c(C)c4)CC3)c(C)o2)cc1 ZINC000055108116 558872848 /nfs/dbraw/zinc/87/28/48/558872848.db2.gz UDPFQDKMLQQNBI-UHFFFAOYSA-N 2 2 408.571 4.706 50 0 HJAALP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCC[C@H]3c3[nH]cc[nH+]3)c2c1C ZINC000079017503 560541035 /nfs/dbraw/zinc/54/10/35/560541035.db2.gz GWUKVWWJVBBYTP-SFHVURJKSA-N 2 2 424.618 4.995 50 0 HJAALP CCn1c2ccccc2nc1C[N@H+](C)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011663386 558266980 /nfs/dbraw/zinc/26/69/80/558266980.db2.gz DNLBTQCOIICAPP-HXUWFJFHSA-N 2 2 408.565 4.582 50 0 HJAALP CCn1c2ccccc2nc1C[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011663386 558266982 /nfs/dbraw/zinc/26/69/82/558266982.db2.gz DNLBTQCOIICAPP-HXUWFJFHSA-N 2 2 408.565 4.582 50 0 HJAALP CCn1c2ccccc2nc1C[NH+](C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011663386 558266983 /nfs/dbraw/zinc/26/69/83/558266983.db2.gz DNLBTQCOIICAPP-HXUWFJFHSA-N 2 2 408.565 4.582 50 0 HJAALP CCn1c2ccccc2nc1C[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011663386 558266985 /nfs/dbraw/zinc/26/69/85/558266985.db2.gz DNLBTQCOIICAPP-HXUWFJFHSA-N 2 2 408.565 4.582 50 0 HJAALP CC[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011708144 558271118 /nfs/dbraw/zinc/27/11/18/558271118.db2.gz OHQBJNFGLRJNBY-OAQYLSRUSA-N 2 2 422.548 4.652 50 0 HJAALP CC[N@H+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011708144 558271119 /nfs/dbraw/zinc/27/11/19/558271119.db2.gz OHQBJNFGLRJNBY-OAQYLSRUSA-N 2 2 422.548 4.652 50 0 HJAALP CC[NH+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011708144 558271121 /nfs/dbraw/zinc/27/11/21/558271121.db2.gz OHQBJNFGLRJNBY-OAQYLSRUSA-N 2 2 422.548 4.652 50 0 HJAALP CC[NH+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011708144 558271123 /nfs/dbraw/zinc/27/11/23/558271123.db2.gz OHQBJNFGLRJNBY-OAQYLSRUSA-N 2 2 422.548 4.652 50 0 HJAALP C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717229 /nfs/dbraw/zinc/71/72/29/558717229.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 2 2 414.956 4.742 50 0 HJAALP C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717232 /nfs/dbraw/zinc/71/72/32/558717232.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 2 2 414.956 4.742 50 0 HJAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717236 /nfs/dbraw/zinc/71/72/36/558717236.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 2 2 414.956 4.742 50 0 HJAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077945 558717238 /nfs/dbraw/zinc/71/72/38/558717238.db2.gz LVSLRNNUQJRREV-SFHVURJKSA-N 2 2 414.956 4.742 50 0 HJAALP Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)CCn2cc[nH+]c2)c(C)s1 ZINC000055119279 558873253 /nfs/dbraw/zinc/87/32/53/558873253.db2.gz MBTUPRSQBYGAQK-UHFFFAOYSA-N 2 2 409.534 4.685 50 0 HJAALP Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)CCn2cc[nH+]c2)c(C)s1 ZINC000055119279 558873254 /nfs/dbraw/zinc/87/32/54/558873254.db2.gz MBTUPRSQBYGAQK-UHFFFAOYSA-N 2 2 409.534 4.685 50 0 HJAALP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1-c1ccc(F)cc1F ZINC000019223522 558852317 /nfs/dbraw/zinc/85/23/17/558852317.db2.gz GUTBCWSWTOJUFP-GOSISDBHSA-N 2 2 424.539 4.817 50 0 HJAALP c1cncc(C[NH+](Cc2cccc3nonc32)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012443371 558506787 /nfs/dbraw/zinc/50/67/87/558506787.db2.gz ZEEGFTAXBWFINP-OAQYLSRUSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[NH+](Cc2cccc3nonc32)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012443371 558506790 /nfs/dbraw/zinc/50/67/90/558506790.db2.gz ZEEGFTAXBWFINP-OAQYLSRUSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@H+](Cc2cccc3nonc32)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012443371 558506792 /nfs/dbraw/zinc/50/67/92/558506792.db2.gz ZEEGFTAXBWFINP-OAQYLSRUSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@@H+](Cc2cccc3nonc32)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012443371 558506796 /nfs/dbraw/zinc/50/67/96/558506796.db2.gz ZEEGFTAXBWFINP-OAQYLSRUSA-N 2 2 419.573 4.665 50 0 HJAALP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000025359725 522454860 /nfs/dbraw/zinc/45/48/60/522454860.db2.gz SQFUNIBMXLQBDO-UHFFFAOYSA-N 2 2 406.313 4.567 50 0 HJAALP CC[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011664353 558267868 /nfs/dbraw/zinc/26/78/68/558267868.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 2 2 412.528 4.618 50 0 HJAALP CC[N@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011664353 558267869 /nfs/dbraw/zinc/26/78/69/558267869.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 2 2 412.528 4.618 50 0 HJAALP CC[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011664353 558267870 /nfs/dbraw/zinc/26/78/70/558267870.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 2 2 412.528 4.618 50 0 HJAALP CC[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011664353 558267871 /nfs/dbraw/zinc/26/78/71/558267871.db2.gz XMCDJYZDHLYEKB-IBGZPJMESA-N 2 2 412.528 4.618 50 0 HJAALP CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012056794 558316157 /nfs/dbraw/zinc/31/61/57/558316157.db2.gz BZMJUXOHZMEAQF-HSZRJFAPSA-N 2 2 404.558 4.733 50 0 HJAALP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000020453004 558367197 /nfs/dbraw/zinc/36/71/97/558367197.db2.gz YMQFTDKESWDUGM-UHFFFAOYSA-N 2 2 414.553 4.871 50 0 HJAALP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000020453004 558367201 /nfs/dbraw/zinc/36/72/01/558367201.db2.gz YMQFTDKESWDUGM-UHFFFAOYSA-N 2 2 414.553 4.871 50 0 HJAALP CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012591373 558435950 /nfs/dbraw/zinc/43/59/50/558435950.db2.gz RRXBXQGCLKFMOB-HSZRJFAPSA-N 2 2 422.548 4.872 50 0 HJAALP Cc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061777 558704734 /nfs/dbraw/zinc/70/47/34/558704734.db2.gz AYHOYFXBPZQWHL-GOSISDBHSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061777 558704737 /nfs/dbraw/zinc/70/47/37/558704737.db2.gz AYHOYFXBPZQWHL-GOSISDBHSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061777 558704738 /nfs/dbraw/zinc/70/47/38/558704738.db2.gz AYHOYFXBPZQWHL-GOSISDBHSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061777 558704741 /nfs/dbraw/zinc/70/47/41/558704741.db2.gz AYHOYFXBPZQWHL-GOSISDBHSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061775 558704829 /nfs/dbraw/zinc/70/48/29/558704829.db2.gz AYHOYFXBPZQWHL-SFHVURJKSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061775 558704832 /nfs/dbraw/zinc/70/48/32/558704832.db2.gz AYHOYFXBPZQWHL-SFHVURJKSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061775 558704836 /nfs/dbraw/zinc/70/48/36/558704836.db2.gz AYHOYFXBPZQWHL-SFHVURJKSA-N 2 2 411.537 4.857 50 0 HJAALP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000015061775 558704838 /nfs/dbraw/zinc/70/48/38/558704838.db2.gz AYHOYFXBPZQWHL-SFHVURJKSA-N 2 2 411.537 4.857 50 0 HJAALP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c21 ZINC000079097376 569427248 /nfs/dbraw/zinc/42/72/48/569427248.db2.gz YONTWXZUCQFQJT-UHFFFAOYSA-N 2 2 418.541 4.519 50 0 HJAALP c1cncc(C[NH+](Cc2cccc3nonc32)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012443369 558506894 /nfs/dbraw/zinc/50/68/94/558506894.db2.gz ZEEGFTAXBWFINP-NRFANRHFSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[NH+](Cc2cccc3nonc32)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012443369 558506897 /nfs/dbraw/zinc/50/68/97/558506897.db2.gz ZEEGFTAXBWFINP-NRFANRHFSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@H+](Cc2cccc3nonc32)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012443369 558506900 /nfs/dbraw/zinc/50/69/00/558506900.db2.gz ZEEGFTAXBWFINP-NRFANRHFSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@@H+](Cc2cccc3nonc32)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012443369 558506903 /nfs/dbraw/zinc/50/69/03/558506903.db2.gz ZEEGFTAXBWFINP-NRFANRHFSA-N 2 2 419.573 4.665 50 0 HJAALP COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1C[NH+]1CCOCC1 ZINC000033087064 558760652 /nfs/dbraw/zinc/76/06/52/558760652.db2.gz DRGPSXAPPNAWPC-OAQYLSRUSA-N 2 2 400.588 4.706 50 0 HJAALP COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1C[NH+]1CCOCC1 ZINC000033087064 558760656 /nfs/dbraw/zinc/76/06/56/558760656.db2.gz DRGPSXAPPNAWPC-OAQYLSRUSA-N 2 2 400.588 4.706 50 0 HJAALP CCOc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+](CC)CC)cc1OCC ZINC000004625984 558890229 /nfs/dbraw/zinc/89/02/29/558890229.db2.gz IHVZQVCPYMOUAG-UHFFFAOYSA-N 2 2 410.562 4.788 50 0 HJAALP CC(C)(C)[NH+]1CC2(c3ccccc3)C[NH+](C(C)(C)C)CC(c3ccccc3)(C1)C2=O ZINC000096901745 558998822 /nfs/dbraw/zinc/99/88/22/558998822.db2.gz AGGRFNRAFABJFX-UHFFFAOYSA-N 2 2 404.598 4.660 50 0 HJAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(Br)cc1 ZINC000001272714 568909933 /nfs/dbraw/zinc/90/99/33/568909933.db2.gz JJXUHYARRWAZMZ-UHFFFAOYSA-N 2 2 401.352 4.753 50 0 HJAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000170676416 569297908 /nfs/dbraw/zinc/29/79/08/569297908.db2.gz ZJEFCFNVEYCLRD-SFHVURJKSA-N 2 2 410.949 4.502 50 0 HJAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000170676416 569297909 /nfs/dbraw/zinc/29/79/09/569297909.db2.gz ZJEFCFNVEYCLRD-SFHVURJKSA-N 2 2 410.949 4.502 50 0 HJAALP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)c1cccc(OC)c1 ZINC000079034141 569424988 /nfs/dbraw/zinc/42/49/88/569424988.db2.gz CTOBSZLIINCAGG-DEOSSOPVSA-N 2 2 419.525 4.695 50 0 HJAALP CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000004821096 557602826 /nfs/dbraw/zinc/60/28/26/557602826.db2.gz UDSOWXUMLKEPCZ-UHFFFAOYSA-N 2 2 421.372 4.650 50 0 HJAALP C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717319 /nfs/dbraw/zinc/71/73/19/558717319.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 2 2 414.956 4.742 50 0 HJAALP C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717320 /nfs/dbraw/zinc/71/73/20/558717320.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 2 2 414.956 4.742 50 0 HJAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717324 /nfs/dbraw/zinc/71/73/24/558717324.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 2 2 414.956 4.742 50 0 HJAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015077947 558717328 /nfs/dbraw/zinc/71/73/28/558717328.db2.gz LVSLRNNUQJRREV-GOSISDBHSA-N 2 2 414.956 4.742 50 0 HJAALP CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)CC1 ZINC000023883063 559181499 /nfs/dbraw/zinc/18/14/99/559181499.db2.gz CQQNINXSHCUSTA-UHFFFAOYSA-N 2 2 408.521 4.686 50 0 HJAALP CC[NH+](CC)[C@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)c1cccc(OC)c1 ZINC000079034144 569425025 /nfs/dbraw/zinc/42/50/25/569425025.db2.gz CTOBSZLIINCAGG-XMMPIXPASA-N 2 2 419.525 4.695 50 0 HJAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1-c1cccc(F)c1 ZINC000011817812 558281296 /nfs/dbraw/zinc/28/12/96/558281296.db2.gz OFFVAGDRJPBWDL-IBGZPJMESA-N 2 2 406.549 4.678 50 0 HJAALP CC(C)[NH+]1CCC([N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067562964 558987257 /nfs/dbraw/zinc/98/72/57/558987257.db2.gz BRKSGXYVBBMFPH-UHFFFAOYSA-N 2 2 400.950 4.780 50 0 HJAALP CC(C)[NH+]1CCC([N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067562964 558987259 /nfs/dbraw/zinc/98/72/59/558987259.db2.gz BRKSGXYVBBMFPH-UHFFFAOYSA-N 2 2 400.950 4.780 50 0 HJAALP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCc1ccncc1 ZINC000030544941 558732359 /nfs/dbraw/zinc/73/23/59/558732359.db2.gz UKSHRYSFBSVDPZ-LJQANCHMSA-N 2 2 414.509 4.706 50 0 HJAALP FC(F)(F)c1cccc2c(N3CCC4(CCC[N@@H+]4Cc4ncc[nH]4)CC3)cc[nH+]c21 ZINC000072480372 558984012 /nfs/dbraw/zinc/98/40/12/558984012.db2.gz MUQOGEKMIXLPEP-UHFFFAOYSA-N 2 2 415.463 4.612 50 0 HJAALP FC(F)(F)c1cccc2c(N3CCC4(CCC[N@H+]4Cc4ncc[nH]4)CC3)cc[nH+]c21 ZINC000072480372 558984015 /nfs/dbraw/zinc/98/40/15/558984015.db2.gz MUQOGEKMIXLPEP-UHFFFAOYSA-N 2 2 415.463 4.612 50 0 HJAALP COc1cccc([C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)[NH+]2CCCC2)c1 ZINC000030544747 568870373 /nfs/dbraw/zinc/87/03/73/568870373.db2.gz BTJQKBLPNZKSDI-AREMUKBSSA-N 2 2 417.553 4.596 50 0 HJAALP c1ccc(C2CCC([NH+]3CCC([NH+]4CCN(c5ccccc5)CC4)CC3)CC2)cc1 ZINC000004561790 132278554 /nfs/dbraw/zinc/27/85/54/132278554.db2.gz PSYGAJJEDFKFIE-UHFFFAOYSA-N 2 2 403.614 4.999 50 0 HJAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010314039 557859411 /nfs/dbraw/zinc/85/94/11/557859411.db2.gz NYUFAIMVJHPHQI-UHFFFAOYSA-N 2 2 417.912 4.833 50 0 HJAALP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007984033 568964039 /nfs/dbraw/zinc/96/40/39/568964039.db2.gz VIZFQUDZMAXHQJ-CYBMUJFWSA-N 2 2 409.383 4.926 50 0 HJAALP COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1C[NH+]1CCOCC1 ZINC000033087066 558760669 /nfs/dbraw/zinc/76/06/69/558760669.db2.gz BZBSEZOIHKBOSM-XMMPIXPASA-N 2 2 412.549 4.784 50 0 HJAALP COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1C[NH+]1CCOCC1 ZINC000033087066 558760672 /nfs/dbraw/zinc/76/06/72/558760672.db2.gz BZBSEZOIHKBOSM-XMMPIXPASA-N 2 2 412.549 4.784 50 0 HJAALP COc1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)cc1O ZINC000063868470 558960317 /nfs/dbraw/zinc/96/03/17/558960317.db2.gz UDRPUQMPRYPUCD-QHCPKHFHSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)cc1O ZINC000063868470 558960319 /nfs/dbraw/zinc/96/03/19/558960319.db2.gz UDRPUQMPRYPUCD-QHCPKHFHSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1O ZINC000063868470 558960322 /nfs/dbraw/zinc/96/03/22/558960322.db2.gz UDRPUQMPRYPUCD-QHCPKHFHSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1O ZINC000063868470 558960325 /nfs/dbraw/zinc/96/03/25/558960325.db2.gz UDRPUQMPRYPUCD-QHCPKHFHSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)cc1O ZINC000063868472 558960355 /nfs/dbraw/zinc/96/03/55/558960355.db2.gz UDRPUQMPRYPUCD-HSZRJFAPSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)cc1O ZINC000063868472 558960357 /nfs/dbraw/zinc/96/03/57/558960357.db2.gz UDRPUQMPRYPUCD-HSZRJFAPSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1O ZINC000063868472 558960360 /nfs/dbraw/zinc/96/03/60/558960360.db2.gz UDRPUQMPRYPUCD-HSZRJFAPSA-N 2 2 423.601 4.843 50 0 HJAALP COc1ccc(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1O ZINC000063868472 558960363 /nfs/dbraw/zinc/96/03/63/558960363.db2.gz UDRPUQMPRYPUCD-HSZRJFAPSA-N 2 2 423.601 4.843 50 0 HJAALP FC(F)(F)c1cccc2c(N3CCC4(CCC[N@@H+]4Cc4c[nH]cn4)CC3)cc[nH+]c21 ZINC000072439171 558981535 /nfs/dbraw/zinc/98/15/35/558981535.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 2 2 415.463 4.612 50 0 HJAALP FC(F)(F)c1cccc2c(N3CCC4(CCC[N@H+]4Cc4c[nH]cn4)CC3)cc[nH+]c21 ZINC000072439171 558981537 /nfs/dbraw/zinc/98/15/37/558981537.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 2 2 415.463 4.612 50 0 HJAALP FC(F)(F)c1cccc2c(N3CCC4(CCC[N@@H+]4Cc4cnc[nH]4)CC3)cc[nH+]c21 ZINC000072439171 558981538 /nfs/dbraw/zinc/98/15/38/558981538.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 2 2 415.463 4.612 50 0 HJAALP FC(F)(F)c1cccc2c(N3CCC4(CCC[N@H+]4Cc4cnc[nH]4)CC3)cc[nH+]c21 ZINC000072439171 558981539 /nfs/dbraw/zinc/98/15/39/558981539.db2.gz SQUBKCFYOMGBTH-UHFFFAOYSA-N 2 2 415.463 4.612 50 0 HJAALP FC(F)(F)c1cccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000000757726 132232471 /nfs/dbraw/zinc/23/24/71/132232471.db2.gz JMBYDPFSYVJLHH-UHFFFAOYSA-N 2 2 417.519 4.535 50 0 HJAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccc(Cl)cc1Cl ZINC000010313997 557859075 /nfs/dbraw/zinc/85/90/75/557859075.db2.gz SKEQOSDHXUAXEN-UHFFFAOYSA-N 2 2 420.340 4.957 50 0 HJAALP CCCCc1[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH+]1 ZINC000072440148 558981377 /nfs/dbraw/zinc/98/13/77/558981377.db2.gz MEHFGNNSALYJGI-XMMPIXPASA-N 2 2 400.611 4.537 50 0 HJAALP CCCCc1[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)c[nH+]1 ZINC000072440148 558981380 /nfs/dbraw/zinc/98/13/80/558981380.db2.gz MEHFGNNSALYJGI-XMMPIXPASA-N 2 2 400.611 4.537 50 0 HJAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(Br)c1 ZINC000001276509 557253217 /nfs/dbraw/zinc/25/32/17/557253217.db2.gz ITLNUHWIMBUKCD-UHFFFAOYSA-N 2 2 401.352 4.753 50 0 HJAALP c1cncc(C[NH+](Cc2ccc3nonc3c2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012075284 558319351 /nfs/dbraw/zinc/31/93/51/558319351.db2.gz HOTPJMJTTJXBRJ-QFIPXVFZSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[NH+](Cc2ccc3nonc3c2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012075284 558319354 /nfs/dbraw/zinc/31/93/54/558319354.db2.gz HOTPJMJTTJXBRJ-QFIPXVFZSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012075284 558319356 /nfs/dbraw/zinc/31/93/56/558319356.db2.gz HOTPJMJTTJXBRJ-QFIPXVFZSA-N 2 2 419.573 4.665 50 0 HJAALP c1cncc(C[N@H+](Cc2ccc3nonc3c2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012075284 558319358 /nfs/dbraw/zinc/31/93/58/558319358.db2.gz HOTPJMJTTJXBRJ-QFIPXVFZSA-N 2 2 419.573 4.665 50 0 HJAALP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCc1ccncc1 ZINC000030544939 558732389 /nfs/dbraw/zinc/73/23/89/558732389.db2.gz UKSHRYSFBSVDPZ-IBGZPJMESA-N 2 2 414.509 4.706 50 0 HJAALP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000033039566 558868700 /nfs/dbraw/zinc/86/87/00/558868700.db2.gz ORJHHNSALVKOQC-KBPBESRZSA-N 2 2 403.313 4.857 50 0 HJAALP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060442 558870939 /nfs/dbraw/zinc/87/09/39/558870939.db2.gz NLPGJEYPVMXWQX-HXUWFJFHSA-N 2 2 416.993 4.744 50 0 HJAALP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060442 558870940 /nfs/dbraw/zinc/87/09/40/558870940.db2.gz NLPGJEYPVMXWQX-HXUWFJFHSA-N 2 2 416.993 4.744 50 0 HJAALP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060442 558870942 /nfs/dbraw/zinc/87/09/42/558870942.db2.gz NLPGJEYPVMXWQX-HXUWFJFHSA-N 2 2 416.993 4.744 50 0 HJAALP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c1OC ZINC000055060442 558870943 /nfs/dbraw/zinc/87/09/43/558870943.db2.gz NLPGJEYPVMXWQX-HXUWFJFHSA-N 2 2 416.993 4.744 50 0 HJAALP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095350715 568601075 /nfs/dbraw/zinc/60/10/75/568601075.db2.gz ORJHHNSALVKOQC-UONOGXRCSA-N 2 2 403.313 4.857 50 0 HJAALP COc1cccc([C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)[NH+]2CCCC2)c1 ZINC000030544749 568870292 /nfs/dbraw/zinc/87/02/92/568870292.db2.gz BTJQKBLPNZKSDI-SANMLTNESA-N 2 2 417.553 4.596 50 0 HJAALP COc1ccc(-n2cc(C[NH2+]CCCn3cc[nH+]c3)c(-c3ccccc3Cl)n2)cc1 ZINC000012317114 558380520 /nfs/dbraw/zinc/38/05/20/558380520.db2.gz XQPZUGBRDVZFDJ-UHFFFAOYSA-N 2 2 421.932 4.578 50 0 HJAALP CCOc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1OCC ZINC000004625985 558890176 /nfs/dbraw/zinc/89/01/76/558890176.db2.gz PRMJFUTZHLBCKO-UHFFFAOYSA-N 2 2 422.573 4.932 50 0 HJAALP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000006548560 569064799 /nfs/dbraw/zinc/06/47/99/569064799.db2.gz MMGXPTDKVLAJNE-LJQANCHMSA-N 2 2 403.313 4.550 50 0 HJAALP