smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(O)c(C=CC=CC=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(C)c1=O ZINC000685944809 571104507 /nfs/dbraw/zinc/10/45/07/571104507.db2.gz ZSAFDCSUCOBDLC-SBIWHPGTSA-N 0 1 373.345 -1.291 50 10 FACAMN