smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21c2ccccc2NC1=O ZINC000217677671 416327665 /nfs/dbraw/zinc/32/76/65/416327665.db2.gz DCRBRVDUGWUHLR-LKQDWFRTSA-N 0 1 311.341 0.543 40 70 DCIBMN