smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ncccn2)CC1 ZINC000067870864 291095721 /nfs/dbraw/zinc/09/57/21/291095721.db2.gz KVKGRHOLHZFAKC-YESZJQIVSA-N 2 1 394.545 -0.142 10 0 biogenic GBAEMP NC(=O)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)C1=O ZINC000072146934 211075572 /nfs/dbraw/zinc/07/55/72/211075572.db2.gz SPSITLOUWURBTC-HXUWFJFHSA-N 2 1 380.452 -0.038 10 0 GBAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C1 ZINC000188798604 1073888169 /nfs/dbraw/zinc/88/81/69/1073888169.db2.gz JBOWVNHGHLZUJJ-OAHLLOKOSA-N 2 1 376.505 -0.078 10 0 GBAEMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C1 ZINC000188798628 1073887842 /nfs/dbraw/zinc/88/78/42/1073887842.db2.gz JBOWVNHGHLZUJJ-HNNXBMFYSA-N 2 1 376.505 -0.078 10 0 GBAEMP COCC(C)(C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192462467 1073892620 /nfs/dbraw/zinc/89/26/20/1073892620.db2.gz HVLCXKTWPUJHCF-WNKDZCFJSA-N 2 1 378.517 -0.321 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)C[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192482334 1073187975 /nfs/dbraw/zinc/18/79/75/1073187975.db2.gz YZCLRDWHHYAAIQ-QSCHSSRISA-N 2 1 388.512 -0.378 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)C[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192482334 1073187974 /nfs/dbraw/zinc/18/79/74/1073187974.db2.gz YZCLRDWHHYAAIQ-QSCHSSRISA-N 2 1 388.512 -0.378 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)C[C@@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192482334 1073187972 /nfs/dbraw/zinc/18/79/72/1073187972.db2.gz YZCLRDWHHYAAIQ-QSCHSSRISA-N 2 1 388.512 -0.378 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)C[C@@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192482347 1073187993 /nfs/dbraw/zinc/18/79/93/1073187993.db2.gz YZCLRDWHHYAAIQ-HRVGUFCPSA-N 2 1 388.512 -0.378 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)C[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192482361 1073188040 /nfs/dbraw/zinc/18/80/40/1073188040.db2.gz YZCLRDWHHYAAIQ-DEUBSTCCSA-N 2 1 388.512 -0.378 10 0 GBAEMP CCN(C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)C1CN(C(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000329137322 1072464896 /nfs/dbraw/zinc/46/48/96/1072464896.db2.gz RIUNFCNENVWJJW-QAETUUGQSA-N 2 1 382.505 -0.516 10 0 GBAEMP CCN(C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)C1CN(C(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000329137322 1072464890 /nfs/dbraw/zinc/46/48/90/1072464890.db2.gz RIUNFCNENVWJJW-QAETUUGQSA-N 2 1 382.505 -0.516 10 0 GBAEMP CCN(C(=O)[C@@H]1C[C@H](OC)C[NH+]1C)C1CN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000329137322 1072464885 /nfs/dbraw/zinc/46/48/85/1072464885.db2.gz RIUNFCNENVWJJW-QAETUUGQSA-N 2 1 382.505 -0.516 10 0 GBAEMP C[NH+](C)C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000329341011 1073360402 /nfs/dbraw/zinc/36/04/02/1073360402.db2.gz RXPIYFHGXZKIFB-DLBZAZTESA-N 2 1 382.505 -0.511 10 0 GBAEMP C[NH+](C)C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000329341018 1073360160 /nfs/dbraw/zinc/36/01/60/1073360160.db2.gz RXPIYFHGXZKIFB-IAGOWNOFSA-N 2 1 382.505 -0.511 10 0 GBAEMP C[NH+](C)C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000329341020 1073360298 /nfs/dbraw/zinc/36/02/98/1073360298.db2.gz RXPIYFHGXZKIFB-IRXDYDNUSA-N 2 1 382.505 -0.511 10 0 GBAEMP C[NH+](C)C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000329341021 1073360084 /nfs/dbraw/zinc/36/00/84/1073360084.db2.gz RXPIYFHGXZKIFB-SJORKVTESA-N 2 1 382.505 -0.511 10 0 GBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000329629646 1072525140 /nfs/dbraw/zinc/52/51/40/1072525140.db2.gz VDBUKBNZPREEKO-BZSNNMDCSA-N 2 1 396.532 -0.387 10 0 GBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C ZINC000329629647 1072524623 /nfs/dbraw/zinc/52/46/23/1072524623.db2.gz VDBUKBNZPREEKO-FGTMMUONSA-N 2 1 396.532 -0.387 10 0 GBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000329629648 1072524587 /nfs/dbraw/zinc/52/45/87/1072524587.db2.gz VDBUKBNZPREEKO-OKZBNKHCSA-N 2 1 396.532 -0.387 10 0 GBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000329629649 1072524668 /nfs/dbraw/zinc/52/46/68/1072524668.db2.gz VDBUKBNZPREEKO-SQNIBIBYSA-N 2 1 396.532 -0.387 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H](C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)O3)C[C@H]2C1 ZINC000330296824 1073405570 /nfs/dbraw/zinc/40/55/70/1073405570.db2.gz GNSYMPSECBJWIQ-RFSXOUPVSA-N 2 1 376.501 -0.426 10 0 GBAEMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)O3)C[C@H]2C1 ZINC000330296825 1073405616 /nfs/dbraw/zinc/40/56/16/1073405616.db2.gz GNSYMPSECBJWIQ-UCIFAOBLSA-N 2 1 376.501 -0.426 10 0 GBAEMP