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)(C)N=NNc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000031840999 212751562 /nfs/dbraw/zinc/75/15/62/212751562.db2.gz AFMJAEUQGBFPRD-SDNRWEOFSA-N 0 0 343.340 -1.274 1 10 EACFRN CCCCN=NNc1cn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000031861072 212752870 /nfs/dbraw/zinc/75/28/70/212752870.db2.gz HNJJSJWMDYAZOI-SVDPJWKOSA-N 0 0 343.340 -1.273 1 10 EACFRN Nc1ncnc2c1ncn2[C@H]1O[C@H](CNC(=O)NN=O)[C@@H](O)[C@H]1O ZINC000049792359 202627794 /nfs/dbraw/zinc/62/77/94/202627794.db2.gz BCQBSROPHUIFNH-CRKDRTNXSA-N 0 0 338.284 -1.421 1 10 EACFRN