smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CC(=O)[N-]C1=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000217030422 530191654 /nfs/dbraw/zinc/19/16/54/530191654.db2.gz FLXMKDSCTXOJGX-UHFFFAOYSA-N -1 3 378.336 -0.243 50 70 GBIAHM Cn1c2ccc(C(=O)NCc3c[nH]c(=O)[n-]c3=O)cc2nc1N1CC[C@H](O)C1 ZINC000217374026 570315508 /nfs/dbraw/zinc/31/55/08/570315508.db2.gz BHBPLDRUXKAQFZ-LBPRGKRZSA-N -1 3 384.396 -0.549 50 70 GBIAHM