smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(N(C)C)cc1 ZINC000005026470 207073807 /nfs/dbraw/zinc/07/38/07/207073807.db2.gz DJEHCSDMFRXOOE-UHFFFAOYSA-N 2 2 365.525 4.056 50 10 FICALP COc1ccc([NH+]2CCC(Nc3cc[nH+]c4cc(F)ccc34)CC2)cc1 ZINC000078695362 536670937 /nfs/dbraw/zinc/67/09/37/536670937.db2.gz XEIDUXTXNOCPPB-UHFFFAOYSA-N 2 2 351.425 4.463 50 10 FICALP