smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CN1CCn2nc([C@@H](O)CO)cc2C1)N1CCOCC1 217683846 WMLGDCGJQKJFIQ-ZDUSSCGKSA-N 310.354 -1.417 70 50 DAIA Cc1cn(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)c(=O)[nH]c1=O 218038443 GJWADSOOCKBONJ-RYUDHWBXSA-N 322.365 -1.176 70 50 DAIA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(CO)ccn1 218134420 NVSWLNQMMHWOGI-NEPJUHHUSA-N 309.322 -1.037 70 50 DAIA Nc1ccnc(N2CCN(CC(=O)NC3CC3)C[C@@H](O)C2)n1 217552551 OERMRXRXYYFDHA-LLVKDONJSA-N 306.370 -1.180 70 50 DAIA COC[C@H]1[C@@H](NC(=O)Cc2c[nH]c(=O)[nH]c2=O)[C@@H]2CCO[C@@H]21 218702879 FYTTYWFOBPBXRR-QSFUFRPTSA-N 309.322 -1.228 70 50 DAIA NC(=O)c1ccc(N2CCN(Cc3c[nH]nn3)C[C@@H](O)C2)nc1 217089321 DJTVZUIRYSJJRU-GFCCVEGCSA-N 317.353 -1.018 70 50 DAIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CNS(C)(=O)=O)C2 217625763 UMCFWMNWXHEBML-MRVPVSSYSA-N 302.356 -1.172 70 50 DAIA O=C(CN1CCn2nc([C@H](O)CO)cc2C1)N1CCOCC1 217683935 WMLGDCGJQKJFIQ-CYBMUJFWSA-N 310.354 -1.417 70 50 DAIA CSCC[C@H](NC(C)=O)C(=O)NCc1c[nH]c(=O)[nH]c1=O 217113313 SCMVBHFWFUFKRU-VIFPVBQESA-N 314.367 -1.063 70 50 DAIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O 218758482 MIMYPRRQOLUYBI-ZFWZSOMGSA-N 309.322 -1.297 70 50 DAIA CCNC(=O)CN1CCN(c2cc(C)nc(N)n2)C[C@@H](O)C1 217156219 GMKMHPYWSLGFIL-NSHDSACASA-N 308.386 -1.014 70 50 DAIA NC(=O)c1ccc(CN2CCN(C(CO)CO)C[C@@H](O)C2)cc1 217900057 RWMIAMRUFSGKEM-HNNXBMFYSA-N 323.393 -1.383 70 50 DAIA C[C@H](O)c1cc2n(n1)CCN(C(=O)CNS(C)(=O)=O)C2 217625837 UMCFWMNWXHEBML-QMMMGPOBSA-N 302.356 -1.172 70 50 DAIA