smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101764494 570833354 /nfs/dbraw/zinc/83/33/54/570833354.db2.gz DFRBNOQCIMORSF-LBPRGKRZSA-N -2 2 389.393 1.754 50 5 GDBALL