smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(C)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c(Cl)c1 15155741 LNUHVSYVAZURDI-UHFFFAOYSA-N 500.002 3.199 10 20 KGCD O=C(O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccccc2)CC3=O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]21)c1cc(O)c(O)c(O)c1 195990900 HJEXOQUMFMERIM-HTKTYWDRSA-N 872.697 3.202 10 20 KGCD CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOCCN3C(=O)C=CC3=O)ccc21 2059979844 CIERBKQMSJKNLG-UHFFFAOYSA-N 640.693 3.075 10 20 KGCD CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)OC(C)(C)C 1857523843 IYNIRASVYTYNIK-UHFFFAOYSA-N 827.023 3.245 10 20 KGCD COc1cc([C@@H](C)OC(=O)NCCCN=[N+]=[N-])c([N+](=O)[O-])cc1OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 1857791966 PTNZFIYMARMNDM-OURZPOLDSA-N 825.943 3.258 10 20 KGCD COc1cc([C@H](C)OC(=O)NCCCN=[N+]=[N-])c([N+](=O)[O-])cc1OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 1857791967 PTNZFIYMARMNDM-QIJUBGBSSA-N 825.943 3.258 10 20 KGCD