smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C)Nc1c(C(C)C)nc2ccccn21 ZINC000072177989 169371735 /nfs/dbraw/zinc/37/17/35/169371735.db2.gz VBRYCZFYDAAYHD-GFCCVEGCSA-N 0 1 245.370 4.058 1 0 BIAFMN