smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](c1ccc(Cl)c(O)c1)[C@@H](CC)c1ccc(Cl)c(O)c1 ZINC000027655566 202158438 /nfs/dbraw/zinc/15/84/38/202158438.db2.gz NTRNFSBEVFNROP-KBPBESRZSA-N -2 0 339.262 6.092 1 0 EKAFRL CC(C)=CCC/C(C)=C/CC/C(C)=C/C/C(C(=O)[O-])=C(\C)C(=O)[O-] ZINC000038494018 213211684 /nfs/dbraw/zinc/21/16/84/213211684.db2.gz WYCNRYCNFKZZEF-PYBNABTASA-N -2 0 334.456 5.281 1 0 EKAFRL