smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([C@@H]1C[C@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1O)N1CCOCC1 ZINC000014953065 558681520 /nfs/dbraw/zinc/68/15/20/558681520.db2.gz CJDWLDBEOIFGPX-PMACEKPBSA-N 1 1 416.518 3.125 10 10 HGCEMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](Cc3ccc(OC)cc3O)C2)cc1 ZINC000014994174 558695586 /nfs/dbraw/zinc/69/55/86/558695586.db2.gz VCZZNCHMMONMDA-UXHICEINSA-N 1 1 416.543 3.233 10 10 HGCEMO