smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(O)c([O-])c(Cl)c1 1577483 169356596 /nfs/dbraw/zinc/35/65/96/169356596.db2.gz GGUNECQLDCNDDY-UHFFFAOYSA-N -2 3 188.566 1.449 50 10 in-vitro ADCAHL O=C([O-])c1ccc(O)c([O-])c1Cl 59230234 371637319 /nfs/dbraw/zinc/63/73/19/371637319.db2.gz IEKVQMDBVWMVMB-UHFFFAOYSA-N -2 3 188.566 1.449 50 10 in-vitro ADCAHL