smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[C@H](N)C[NH2+]CC ZINC000043860931 175115727 /nfs/dbraw/zinc/11/57/27/175115727.db2.gz CDNCXRTXBJXGIV-SFHVURJKSA-N 1 1 284.532 5.014 1 30 CKEFMO CCCCCCCCCCCCCC[C@@H](N)C[NH2+]CC ZINC000043860933 175115809 /nfs/dbraw/zinc/11/58/09/175115809.db2.gz CDNCXRTXBJXGIV-GOSISDBHSA-N 1 1 284.532 5.014 1 30 CKEFMO