smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc(NCCOC(=O)[N-]S(=O)(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000071195155 527575150 /nfs/dbraw/zinc/57/51/50/527575150.db2.gz LSFDVZGNTHQXLE-UHFFFAOYSA-N -1 1 375.367 -0.350 40 30 GBEBMM COCCN1C(=O)/C(=C\N/N=C2\c3ccccc3N(C)C2=O)C(=O)[N-]C1=S ZINC000105339093 570426545 /nfs/dbraw/zinc/42/65/45/570426545.db2.gz UFHNBQVTMUIVNB-KTZSODNASA-N -1 1 387.421 -0.270 40 30 GBEBMM