smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCNC(=O)C1C(=O)N(CCCOC)C(=O)/C1=N\N ZINC000103009071 185429015 /nfs/dbraw/zinc/42/90/15/185429015.db2.gz DLTBMBWFSJTEEL-MYMQZEFKSA-N 0 2 314.342 -1.525 1 30 DAEFLN