smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@@H+](C)C1 ZINC000103297447 209251977 /nfs/dbraw/zinc/25/19/77/209251977.db2.gz ZFUNQHQJPVTQQO-QKYXUNIQSA-N 1 1 353.510 3.445 1 10 FGCFMO CC[NH+](CC)CCOc1ccc2c(c1)oc1c2c(O)c2ccccc2c1O ZINC000026173836 220506440 /nfs/dbraw/zinc/50/64/40/220506440.db2.gz HRGYVYLNOUCSJW-DENIHFKCSA-N 1 1 365.429 3.331 1 10 FGCFMO Cc1cc2c(n1-c1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CC[C@@H](C)C2 ZINC000006878011 204279366 /nfs/dbraw/zinc/27/93/66/204279366.db2.gz IWNKEKSIPXVAMP-MRXNPFEDSA-N 1 1 351.494 3.298 1 10 FGCFMO O=C(N[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1)c1cc(F)cc(F)c1 ZINC000045301802 205120329 /nfs/dbraw/zinc/12/03/29/205120329.db2.gz AREBTOFTCGAULE-GOSISDBHSA-N 1 1 360.404 3.455 1 10 FGCFMO O=C(N[C@H]1CCCC[N@H+](Cc2ccccc2O)C1)c1cc(F)cc(F)c1 ZINC000045301800 205120650 /nfs/dbraw/zinc/12/06/50/205120650.db2.gz AREBTOFTCGAULE-SFHVURJKSA-N 1 1 360.404 3.455 1 10 FGCFMO Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)C3CCCC3)C[N@@H+](C)[C@@H]1C2 ZINC000103297465 209251852 /nfs/dbraw/zinc/25/18/52/209251852.db2.gz CJMOFABIRFQLED-NYSBEXSLSA-N 1 1 365.521 3.445 1 10 FGCFMO Cc1cc2c(n1-c1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CC[C@H](C)C2 ZINC000006878010 207174335 /nfs/dbraw/zinc/17/43/35/207174335.db2.gz IWNKEKSIPXVAMP-INIZCTEOSA-N 1 1 351.494 3.298 1 10 FGCFMO CC1CC[NH+]([C@H](c2nnnn2C(C)(C)C)c2ccc(N(C)C)cc2)CC1 ZINC000001330529 210342511 /nfs/dbraw/zinc/34/25/11/210342511.db2.gz SUCCGCXLAVVJOL-SFHVURJKSA-N 1 1 356.518 3.315 3 10 FGCFMO