smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N1CCN(CCNC=C2C(=O)NC(=O)NC2=O)CC1 20135932 DRFVZVJNVKPHCR-UHFFFAOYSA-N 309.326 -2.010 10 50 DACA NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 17173871 KXRRPPCIFRIBRD-UHFFFAOYSA-N 310.291 -1.004 10 50 DACA COC(=O)c1c(/N=N/c2no[n+]([O-])c2C(=O)OC)no[n+]1[O-] 16189904 YLQYPYIESZFORW-MDZDMXLPSA-N 314.170 -1.082 10 50 DACA O=C1O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)c2c1cc(O)c(O)c2O 70454797 GDYGAIKPBLFCKR-OIPGZRGRSA-N 314.246 -1.504 10 50 DACA biogenic,in-vitro