smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1OC ZINC000216819956 569879605 /nfs/dbraw/zinc/87/96/05/569879605.db2.gz BHYZOULUXIKZNP-HXUWFJFHSA-N 0 3 461.584 1.804 40 70 JDIBHN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1OC ZINC000216819920 569879580 /nfs/dbraw/zinc/87/95/80/569879580.db2.gz BHYZOULUXIKZNP-FQEVSTJZSA-N 0 3 461.584 1.804 40 70 JDIBHN