smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH3+])CNc1[nH+]c2ccc(Cl)cc2c2[nH]c3ccccc3c21 ZINC000169309466 534050506 /nfs/dbraw/zinc/05/05/06/534050506.db2.gz BCOYXYPVMBTPPI-LLVKDONJSA-N 2 2 338.842 4.529 1 5 EJBFLP