smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)CCc1c([O-])c2c([O-])c3cc(O)ccc3oc-2cc1=O ZINC000014819757 560226620 /nfs/dbraw/zinc/22/66/20/560226620.db2.gz MPDJBCWZYDZMCW-UHFFFAOYSA-N -2 3 330.336 2.767 1 5 biogenic,in-vitro EFBFHL Cc1ccn2c(c1)nc(-c1cc([N+](=O)[O-])c([O-])cc1[O-])c2CN(C)C ZINC000103214674 204068221 /nfs/dbraw/zinc/06/82/21/204068221.db2.gz HDPHWKYQKGOEBF-UHFFFAOYSA-N -2 3 342.355 2.691 1 5 EFBFHL