smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc2c(c(C[NH2+][C@H]3C=C[C@H](O)[C@@H]3O)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000031983388 574414042 /nfs/dbraw/zinc/41/40/42/574414042.db2.gz QQXQGKSPIMGUIZ-AEZJAUAXSA-N 1 1 409.399 -3.332 1 0 endogenous,in-man HAAFMO Nc1nc2c(c(C[NH2+][C@H]3C=C[C@H](O)[C@@H]3O)cn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000040165380 571760403 /nfs/dbraw/zinc/76/04/03/571760403.db2.gz QQXQGKSPIMGUIZ-OUWIPKMASA-N 1 1 409.399 -3.332 1 0 endogenous,in-man HAAFMO