smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#[N+][N-]Cc1cccc(C(O)=CC(=O)C(=O)[O-])c1 ZINC000101850349 388671391 /nfs/dbraw/zinc/67/13/91/388671391.db2.gz DWAUHOPROZDIJR-YHYXMXQVSA-N -1 2 247.210 2.206 40 30 BEEBLM