smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O 6095328 URVCVGNFSZHAOA-LSCFUAHRSA-N 373.369 -0.245 10 30 FBCC COc1ccccc1NC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1044406 GDIFLHXFPDHTKO-LLVKDONJSA-N 359.386 -0.085 10 30 FBCC COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 1069989584 MPMKPOBPFWONGP-ONYIWYLUSA-N 359.291 -0.010 10 30 FBCC COc1ccccc1NC[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1044407 GDIFLHXFPDHTKO-NSHDSACASA-N 359.386 -0.085 10 30 FBCC COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 616582849 MPMKPOBPFWONGP-KSLZLVKMSA-N 359.291 -0.010 10 30 FBCC O=C(O)C1=NN(c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)C(=O)C1 31308486 ULKCUTGVHUHOEK-UHFFFAOYSA-N 364.313 -0.643 10 30 FBCC COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 255988251 MPMKPOBPFWONGP-TUTUZKQUSA-N 359.291 -0.010 10 30 FBCC COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 255988248 MPMKPOBPFWONGP-CJJWORHMSA-N 359.291 -0.010 10 30 FBCC