{"text_format":"2","workbook":"xls","n_sheets":30,"sheets":["list","benzimidazole","benzofuran","Biginelli-adduct","chromene-4-one","coumarin","dihydrobenzodiazepine","dihydropyridine","furan","hydantoin","imidazole","indole","indolizine","isoquinoline","isoxazole","oxazole-thiazole","purine","pyran","pyrazine","pyrazole","pyridazine","pyridine","pyridinone","pyrimidine","pyrimidinone","pyrrole","quinazoline-4-one","quinoline","quinolinone","thiophene"],"not_rendered":{"charts":47,"images":0,"macros":0,"external_links":1,"defined_names":0,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"run_cost":"one","rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"list","index":0,"n_rows":33,"n_cols":2,"rows_kept":33,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["List of heterocycles"]
[null,"Number of MCRs"]
["benzimidazole",6]
["benzofuran",6]
["Biginelli adduct",29]
["chromene-4-one",5]
["coumarin",6]
["dihydrobenzodiazepine",7]
["dihydropyridine",123]
["furan",34]
["hydantoin",8]
["imidazole",45]
["indole",17]
["indolizine",3]
["isoquinoline",2]
["isoxazole",6]
["oxazole-thiazole",23]
["purine",0]
["pyran",151]
["pyrazine",7]
["pyrazole",15]
["pyridazine",2]
["pyridine",117]
["pyridinone",21]
["pyrimidine",29]
["pyrimidinone",2]
["pyrrole",56]
["quinazolin-4-one",32]
["quinoline",28]
["quinolinone",0]
["thiophene",19]
[]
["TOTAL",799]

{"sheet":"benzimidazole","index":1,"n_rows":8,"n_cols":18,"rows_kept":8,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[3+1+1]",0.615,0.495,0.615,{"$nulls":11},"p = 1",4,66.66666666666666]
["[4+1]",0.913,0.672,0.913,{"$nulls":11},"0.9 < p < 1",1,16.666666666666664]
["[4+1]",1,0.816,1,{"$nulls":11},"0.8 < p < 0.9",0,0]
["[4+1]",1,0.888,1,{"$nulls":11},"0.7 < p < 0.8",0,0]
["[4+1]",1,0.913,1,{"$nulls":11},"0.6 < p < 0.7",1,16.666666666666664]
["[4+1]",1,0.816,1,{"$nulls":11},"p < 0.6",0,0]
[{"$nulls":15},"TOTAL",6,99.99999999999997]

{"sheet":"benzofuran","index":2,"n_rows":8,"n_cols":18,"rows_kept":8,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[3+1+1]",0.544,0.429,0.544,{"$nulls":11},"p = 1",3,50]
["[3+1+1]",0.921,0.677,0.921,{"$nulls":11},"0.9 < p < 1",1,16.666666666666664]
["[4+1]",1,0.937,1,{"$nulls":11},"0.8 < p < 0.9",1,16.666666666666664]
["[4+1]",1,0.913,1,{"$nulls":11},"0.7 < p < 0.8",0,0]
["[4+1]",1,0.913,1,{"$nulls":11},"0.6 < p < 0.7",0,0]
["[4+1]",0.81,0.617,0.81,{"$nulls":11},"p < 0.6",1,16.666666666666664]
[{"$nulls":15},"TOTAL",6,99.99999999999997]

{"sheet":"Biginelli-adduct","index":3,"n_rows":30,"n_cols":18,"rows_kept":30,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[2+2+1+1]",0.593,0.476,0.593,{"$nulls":11},"p = 1",22,75.86206896551724]
["[2+2+1+1]",0.47,0.339,0.47,{"$nulls":11},"0.9 < p < 1",3,10.344827586206897]
["[3+2+1]",1,0.795,1,{"$nulls":11},"0.8 < p < 0.9",1,3.4482758620689653]
["[3+2+1]",1,0.836,1,{"$nulls":11},"0.7 < p < 0.8",1,3.4482758620689653]
["[3+2+1]",0.95,0.699,0.95,{"$nulls":11},"0.6 < p < 0.7",0,0]
["[3+2+1]",1,0.878,1,{"$nulls":11},"p < 0.6",2,6.896551724137931]
["[3+2+1]",1,0.833,1,{"$nulls":11},"TOTAL",29,100]
["[3+2+1]",0.77,0.597,0.77]
["[3+2+1]",0.998,0.761,0.998]
["[3+2+1]",1,0.77,1]
["[3+2+1]",1,0.845,1]
["[3+2+1]",1,0.824,1]
["[3+2+1]",1,0.874,1]
["[3+2+1]",1,0.89,1]
["[3+2+1]",1,0.85,1]
["[3+2+1]",1,0.853,1]
["[3+2+1]",1,0.904,1]
["[3+2+1]",1,0.848,1]
["[3+2+1]",1,0.857,1]
["[3+2+1]",1,0.872,1]
["[3+2+1]",0.83,0.626,0.83]
["[3+2+1]",1,0.87,1]
["[3+2+1]",1,0.944,1]
["[3+2+1]",1,0.878,1]
["[3+2+1]",1,0.893,1]
["[3+2+1]",0.925,0.68,0.925]
["[3+2+1]",1,0.884,1]
["[3+2+1]",1,0.895,1]
["[3+2+1]",1,0.848,1]

{"sheet":"chromene-4-one","index":4,"n_rows":8,"n_cols":18,"rows_kept":8,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[3+2+1]",0.732,0.576,0.732,{"$nulls":11},"p = 1",1,20]
["[3+2+1]",0.395,0.213,0.395,{"$nulls":11},"0.9 < p < 1",1,20]
["[3+2+1]",0.527,0.411,0.527,{"$nulls":11},"0.8 < p < 0.9",0,0]
["[5+1]",0.996,0.753,0.996,{"$nulls":11},"0.7 < p < 0.8",1,20]
["[5+1]",1,0.897,1,{"$nulls":11},"0.6 < p < 0.7",0,0]
[{"$nulls":15},"p < 0.6",2,40]
[{"$nulls":15},"TOTAL",5,100]

{"sheet":"coumarin","index":5,"n_rows":8,"n_cols":18,"rows_kept":8,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[2+1+2+1]",0.469,0.338,0.469,{"$nulls":11},"p = 1",1,16.666666666666664]
["[3+2+1]",0.732,0.576,0.732,{"$nulls":11},"0.9 < p < 1",0,0]
["[4+1+1]",0.704,0.559,0.704,{"$nulls":11},"0.8 < p < 0.9",0,0]
["[4+2]",0.481,0.355,0.481,{"$nulls":11},"0.7 < p < 0.8",2,33.33333333333333]
["[4+2]",1,0.808,1,{"$nulls":11},"0.6 < p < 0.7",0,0]
["[4+2]",0.492,0.369,0.492,{"$nulls":11},"p < 0.6",3,50]
[{"$nulls":15},"TOTAL",6,100]

{"sheet":"dihydrobenzodiazepine","index":6,"n_rows":8,"n_cols":18,"rows_kept":8,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[4+2+1]",1,0.849,1,{"$nulls":11},"p = 1",6,85.71428571428571]
["[4+2+1]",1,0.839,1,{"$nulls":11},"0.9 < p < 1",0,0]
["[4+2+1]",1,0.895,1,{"$nulls":11},"0.8 < p < 0.9",1,14.285714285714285]
["[4+2+1]",1,0.857,1,{"$nulls":11},"0.7 < p < 0.8",0,0]
["[4+2+1]",0.848,0.635,0.848,{"$nulls":11},"0.6 < p < 0.7",0,0]
["[4+2+1]",1,0.935,1,{"$nulls":11},"p < 0.6",0,0]
["[4+3]",1,0.896,1,{"$nulls":11},"TOTAL",7,100]

{"sheet":"dihydropyridine","index":7,"n_rows":124,"n_cols":18,"rows_kept":124,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[2+1+2+1]",1,0.832,1,{"$nulls":11},"p = 1",86,69.91869918699187]
["[2+1+2+1]",1,0.889,1,{"$nulls":11},"0.9 < p < 1",30,24.390243902439025]
["[2+1+2+1]",1,0.848,1,{"$nulls":11},"0.8 < p < 0.9",3,2.4390243902439024]
["[2+1+2+1]",0.964,0.711,0.964,{"$nulls":11},"0.7 < p < 0.8",2,1.6260162601626018]
["[2+1+2+1]",1,0.839,1,{"$nulls":11},"0.6 < p < 0.7",2,1.6260162601626018]
["[2+1+2+1]",0.866,0.645,0.866,{"$nulls":11},"p < 0.6",0,0]
["[2+1+2+1]",0.983,0.732,0.983,{"$nulls":11},"TOTAL",123,100]
["[2+1+2+1]",0.961,0.708,0.961]
["[2+1+2+1]",1,0.911,1]
["[2+1+2+1]",0.952,0.701,0.952]
["[2+1+2+1]",0.92,0.677,0.92]
["[2+1+2+1]",0.931,0.684,0.931]
["[2+1+2+1]",0.995,0.751,0.995]
["[2+1+2+1]",0.613,0.493,0.613]
["[2+1+2+1]",0.92,0.677,0.92]
["[2+1+2+1]",0.984,0.732,0.984]
["[2+1+2+1]",1,0.819,1]
["[2+1+2+1]",0.949,0.698,0.949]
["[2+1+2+1]",0.959,0.706,0.959]
["[2+1+2+1]",1,0.934,1]
["[2+1+2+1]",0.991,0.743,0.991]
["[2+1+2+1]",0.994,0.748,0.994]
["[2+1+2+1]",1,0.887,1]
["[2+1+2+1]",0.926,0.68,0.926]
["[2+1+2+1]",1,0.908,1]
["[2+1+2+1]",0.991,0.744,0.991]
["[2+1+2+1]",1,0.766,1]
["[2+1+2+1]",0.961,0.708,0.961]
["[2+1+2+1]",0.994,0.748,0.994]
["[2+1+2+1]",1,0.887,1]
["[2+1+2+1]",0.981,0.729,0.981]
["[2+1+2+1]",0.961,0.708,0.961]
["[2+1+2+1]",1,0.955,1]
["[2+1+2+1]",0.931,0.684,0.931]
["[2+1+2+1]",0.931,0.684,0.931]
["[2+1+2+1]",1,0.785,1]
["[2+1+2+1]",0.948,0.697,0.948]
["[2+1+2+1]",0.998,0.759,0.998]
["[2+1+2+1]",0.77,0.597,0.77]
["[2+1+2+1]",1,0.773,1]
["[2+1+2+1]",1,0.94,1]
["[2+1+2+1]",1,0.953,1]
["[2+1+2+1]",0.623,0.502,0.623]
["[2+1+2+1]",0.929,0.683,0.929]
["[2+1+2+1]",1,0.843,1]
["[2+1+2+1]",1,0.957,1]
["[2+1+2+1]",1,0.963,1]
["[2+1+2+1]",1,0.793,1]
["[2+1+2+1]",1,0.771,1]
["[2+1+2+1]",1,0.957,1]
["[2+1+2+1]",1,0.804,1]
["[2+1+2+1]",0.994,0.748,0.994]
["[2+2+2]",1,1,1]
["[3+2+1]",1,0.875,1]
["[3+2+1]",1,0.924,1]
["[3+2+1]",1,0.852,1]
["[3+2+1]",1,0.891,1]
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["[3+2+1]",1,0.875,1]
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["[3+2+1]",1,0.903,1]
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["[3+2+1]",1,0.903,1]
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["[3+2+1]",1,0.916,1]
["[3+2+1]",0.996,0.754,0.996]
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["[3+2+1]",0.976,0.723,0.976]
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["[3+2+1]",1,0.909,1]
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["[3+2+1]",1,0.909,1]
["[3+2+1]",0.989,0.74,0.989]
["[2+1+2+1]",1,0.921,1]
["[3+2+1]",1,0.899,1]
["[3+2+1]",1,0.903,1]
["[3+2+1]",1,0.903,1]
["[3+2+1]",1,0.894,1]
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["[2+1+2+1]",0.961,0.708,0.961]
["[2+1+2+1]",0.917,0.675,0.917]
["[3+3]",0.732,0.576,0.732]
["[3+2+1]",1,0.899,1]
["[3+2+1]",1,0.938,1]
["[3+2+1]",1,0.929,1]
["[3+2+1]",1,0.914,1]
["[3+2+1]",1,0.923,1]

{"sheet":"furan","index":8,"n_rows":35,"n_cols":18,"rows_kept":35,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[2+1+1+1]",1,1,1,{"$nulls":11},"p = 1",21,61.76470588235294]
["[2+1+1+1]",1,1,1,{"$nulls":11},"0.9 < p < 1",2,5.88235294117647]
["[2+1+1+1]",1,0.869,1,{"$nulls":11},"0.8 < p < 0.9",1,2.941176470588235]
["[2+2+1]",1,1,1,{"$nulls":11},"0.7 < p < 0.8",0,0]
["[2+2+1]",1,1,1,{"$nulls":11},"0.6 < p < 0.7",6,17.647058823529413]
["[2+2+1]",0.69,0.55,0.69,{"$nulls":11},"p < 0.6",4,11.76470588235294]
["[2+2+1]",1,1,1,{"$nulls":11},"TOTAL",34,99.99999999999999]
["[2+2+1]",0.973,0.72,0.973]
["[2+2+1]",1,1,1]
["[2+2+1]",0.633,0.51,0.633]
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["[2+2+1]",0.826,0.624,0.826]
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["[3+1+1]",0.574,0.459,0.574]
["[3+1+1]",1,0.937,1]
["[3+1+1]",0.535,0.419,0.535]
["[3+1+1]",0.577,0.462,0.577]
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["[3+1+1]",0.614,0.495,0.614]
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["[3+2]",0.618,0.498,0.618]
["[3+2]",0.682,0.545,0.682]
["[5+0]",0.658,0.528,0.658]
["[5+0]",0.514,0.397,0.514]
["[2+2+1]",1,1,1]

{"sheet":"hydantoin","index":9,"n_rows":9,"n_cols":18,"rows_kept":9,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[2+1+1+1]",1,0.864,1,{"$nulls":11},"p = 1",5,62.5]
["[2+2+1]",1,1,1,{"$nulls":11},"0.9 < p < 1",0,0]
["[2+2+1]",1,0.859,1,{"$nulls":11},"0.8 < p < 0.9",1,12.5]
["[2+2+1]",1,0.926,1,{"$nulls":11},"0.7 < p < 0.8",0,0]
["[2+2+1]",0.851,0.637,0.851,{"$nulls":11},"0.6 < p < 0.7",1,12.5]
["[2+2+1]",0.406,0.235,0.406,{"$nulls":11},"p < 0.6",1,12.5]
["[2+2+1]",1,0.926,1,{"$nulls":11},"TOTAL",8,100]
["[3+2]",0.67,0.537,0.67]

{"sheet":"imidazole","index":10,"n_rows":46,"n_cols":18,"rows_kept":46,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Ring Type","p","AE(min)","p",{"$nulls":11},"probability range","Number of MCRs","%"]
["[1+1+1+1+1]",0.566,0.451,0.566,{"$nulls":11},"p = 1",6,13.333333333333334]
["[2+1+1+1]",0.947,0.697,0.947,{"$nulls":11},"0.9 < p < 1",14,31.11111111111111]
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["[2+1+1+1]",0.837,0.63,0.837,{"$nulls":11},"0.7 < p < 0.8",5,11.11111111111111]
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["[2+1+1+1]",0.837,0.63,0.837,{"$nulls":11},"p < 0.6",8,17.77777777777778]
["[2+1+1+1]",0.806,0.615,0.806,{"$nulls":11},"TOTAL",45,100]
["[2+1+1+1]",0.988,0.738,0.988]
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["[2+1+1+1]",0.683,0.546,0.683]
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[]
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[]
[]
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