smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000022852361 518917449 /nfs/dbraw/zinc/91/74/49/518917449.db2.gz JPTCQAJFJZHOOK-SFHVURJKSA-N 2 0 363.502 1.364 50 10 FDCARP COc1ccc(O)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000104300737 222354941 /nfs/dbraw/zinc/35/49/41/222354941.db2.gz JPTCQAJFJZHOOK-GOSISDBHSA-N 2 0 363.502 1.364 50 10 FDCARP