smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C)cc3)c2c1 ZINC000072107678 216009619 /nfs/dbraw/zinc/00/96/19/216009619.db2.gz HICBWDGPPUVAGQ-UHFFFAOYSA-N 0 1 348.833 6.102 1 10 EKCFMN