smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCc1cc(Cl)c([O-])c(C(=O)c2cc(Cl)c(Cl)[nH]2)c1[O-] ZINC000013310842 560214209 /nfs/dbraw/zinc/21/42/09/560214209.db2.gz VPAMZQVPJOAFJG-UHFFFAOYSA-N -2 1 390.694 5.740 40 0 in-vitro GKABML