smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C[C@@H](C(N)=O)[N+](=O)[O-] 104572523 HQWDILUMZXPFNW-REOHCLBHSA-N 129.075 -1.359 5 30 AABC C[N+](C)(C)C[C@H](O)[C@H](N)C(=O)O 2585439 RKNHTGDLNNBLGZ-WDSKDSINSA-O 177.224 -1.535 5 30 AABC O=[N+]([O-])C(CO)[N+](=O)[O-] 100177895 CXLFPNPZGJXQPS-UHFFFAOYSA-N 136.063 -1.142 5 30 AABC NC(N)C([N+](=O)[O-])[N+](=O)[O-] 100048023 CQUGMNZDMWRAAN-UHFFFAOYSA-N 150.094 -1.891 5 30 AABC Cn1nc(N)c([N+](=O)[O-])[n+]1[O-] 34515002 YVYFDNPPYAAWHY-UHFFFAOYSA-N 159.105 -1.456 5 30 AABC O=[N+]([O-])C[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 96341855 KYBWIVQIHUYTAA-BXKVDMCESA-N 193.155 -2.255 5 30 AABC O=[N+]([O-])c1nnnn1Cc1nnn[nH]1 33908802 UDYVWNFAYBHREK-UHFFFAOYSA-N 197.118 -1.857 5 30 AABC Nc1nn(CCO)c(N)c1[N+](=O)[O-] 7036852 PFXFUMCGUMQEBJ-UHFFFAOYSA-N 187.159 -1.052 5 30 AABC CC[N+](CCO)(CCO)CCO 5955416 ZUWBDURKZIRDFQ-UHFFFAOYSA-N 178.252 -1.200 5 30 AABC N#C[C@H](C(N)=O)[N+](=O)[O-] 104572530 HQWDILUMZXPFNW-UWTATZPHSA-N 129.075 -1.359 5 30 AABC O=[N+]([O-])C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 104401038 KYBWIVQIHUYTAA-VANKVMQKSA-N 193.155 -2.255 5 30 AABC O=[N+]([O-])CNCO 604970699 AUNFOIHSVXDBQJ-UHFFFAOYSA-N 106.081 -1.240 5 30 AABC