smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=N[C@H]1[C@@H](Oc2ccc(NC(=O)C(F)(F)F)cc2)O[C@H](CO)[C@H](O)[C@@H]1O 263584183 LRWKDJKFMKAGTG-ZIQFBCGOSA-N 392.290 0.684 10 30 GCCC CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O 5167060 XYDJGVROLWFENK-YBTHPKLGSA-N 384.340 0.879 10 30 GCCC biogenic,in-vitro O=C(O)C(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)C(=O)O)c1C2=O 5843962 LNDNGSJOTCICSM-UHFFFAOYSA-N 382.284 0.508 10 30 GCCC