smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1NC(=S)NC(=O)C1=C/C=C/C=C/C1C(=O)NC(=S)NC1=O 100496246 LFYHUCUXVULCOB-ZPUQHVIOSA-N 350.381 -1.297 10 50 FACA CCNC(=S)N1CCN(CCNC=C2C(=O)NC(=O)NC2=O)CC1 19359412 QOXPUBUTINBRQP-UHFFFAOYSA-N 354.436 -1.662 10 50 FACA [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 36423964 FJOYNMRZUBUGGP-DCSYEGIMSA-N 367.311 -4.079 10 50 FACA in-vitro