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(OCCCl)N1CCc2nc(Cl)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2C1 ZINC001164390702 718831736 /nfs/dbraw/zinc/83/17/36/718831736.db2.gz GIYIOEYKYGNUBI-GFCCVEGCSA-N 1 0 415.325 0.957 20 50 HCGDRO O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2C1 ZINC001164390703 718831859 /nfs/dbraw/zinc/83/18/59/718831859.db2.gz GIYIOEYKYGNUBI-LBPRGKRZSA-N 1 0 415.325 0.957 20 50 HCGDRO