smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C\COC(=O)c1cc([O-])cs1 308308540 573211407 /nfs/dbraw/zinc/21/14/07/573211407.db2.gz PQVPBVGFLXUQJD-IHWYPQMZSA-N -1 3 198.243 2.187 20 10 AECDHM C/C=C/COC(=O)c1cc([O-])cs1 308308542 573213498 /nfs/dbraw/zinc/21/34/98/573213498.db2.gz PQVPBVGFLXUQJD-NSCUHMNNSA-N -1 3 198.243 2.187 20 10 AECDHM Cc1cc(O)c([O-])c(Cl)c1 62235582 525325122 /nfs/dbraw/zinc/32/51/22/525325122.db2.gz SVNSFVRPGDZCMV-UHFFFAOYSA-N -1 3 158.584 2.060 20 10 in-vitro AECDHM