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["Data associated with Extended Data Fig 1b, c"]
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["Data associated with Extended Data Fig 2c"]
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["S64",551.1898,73143035.35636564,{"v":7.864172979124354,"d":"7.9"}]
["S65",456.2544,37907593.47164404,{"v":7.578726214519819,"d":"7.6"}]

{"sheet":"5","index":5,"n_rows":102,"n_cols":6,"rows_kept":102,"merged":[[0,0,0,5]]}
["Data associated with Extended Data Fig 3a, b, and c"]
[null,"Smiles","FORMULA_WT","AMW","SlogP","TPSA"]
["S111","CSc1nnc2N(CCn12)c3ccc(F)cc3",250.2952,250.302,2.2908,33.95]
["S112","Fc1ccc(NC(=O)CSc2c[nH]nn2)cc1",252.268,252.274,1.67459999999999,70.67]
["S113","CCC(Oc1ccc(Cl)cc1)C(=O)NC2CC2",253.7246,253.728999999999,2.776,38.33]
["S114","Fc1ccccc1NC(=O)C2CC2c3ccccc3",255.2868,255.292,3.5679,29.1]
["S115","COc1ccc(cc1)C(C)NC(=O)c2cccnc2",256.2997,256.305,2.5812,51.22]
["S116","CC(NC(=O)C1CCCCC1)c2ccc(C)c(C)c2",259.3865,259.393,4.06094,29.1]
["S117","CN(CC(=O)Nc1ccccc1C)C2CCCCC2",260.3745,260.381,3.19802,32.34]
["S118","Cc1ccccc1\\C=C\\c2ccc3cccc(O)c3n2",261.3178,261.324,4.41922,33.12]
["S119","COc1ccc(cc1OC)c2nn3cnnc3s2",262.2877,262.294,1.86999999999999,61.54]
["S120","Fc1ccc(CCNC(=O)NC2CCCCC2)cc1",264.3384,264.343999999999,3.0001,41.13]
["S121","OCCN1COc2c(C1)cc(Cl)c3cccnc23",264.7075,264.712,2.0324,45.59]
["S122","CN(C)c1nc(Nc2ccccc2)c3nccnc3n1",266.3011,266.308,2.2294,66.83]
["S123","CCCCn1c(C)nc2ccc(cc12)S(=O)(=O)N",267.3472,267.354,1.79222,77.98]
["S124","COc1cc(CN2CCc3ccccc3C2)ccc1O",269.3382,269.344,2.9591,32.7]
["S125","OC(=O)COc1ccc(cc1)C2SCCCS2",270.3677,270.374999999999,3.0187,46.53]
["S126","COCc1nnc2sc(\\C=C\\c3ccccc3)nn12",272.3255,272.333,2.5026,52.31]
["S127","COc1cccc(CC(=O)Nc2ccc(C)c(F)c2)c1",273.3021,273.306999999999,3.32392,38.33]
["S128","Cc1ccc(COn2nnc3ccc(Cl)cc23)cc1",273.7175,273.723,3.02192,39.94]
["S129","CC(=O)Nc1cccc(NC(=O)c2csc(C)c2)c1",274.3381,274.344999999999,3.26722,58.2]
["S130","Clc1cccc(c1)C2CC(=O)NC3=C2C(=O)CCC3",275.7301,275.735,2.9506,46.17]
["S131","CC(CC(=O)Nc1ccc(F)cc1)n2nc(C)nc2C",276.3093,276.315,2.62384,59.81]
["S132","COc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1",277.266,277.27,3.4257,38.33]
["S133","CSc1ccccc1NC(=O)CN2CCCCC2C",278.4129,278.420999999999,3.2214,32.34]
["S134","CCC(Oc1ccc(OC)cc1)C(=O)N2CCOCC2",279.3315,279.336,1.7114,48]
["S135","CC(C)(C)c1cnnn1c2ccc(cc2)S(=O)(=O)N",280.346,280.353,1.2122,90.8699999999999]
["S136","CC(C)Oc1ccc(cc1)c2onc(n2)c3ccccn3",281.3092,281.315,3.5858,61.04]
["S137","CC(=O)c1ccccc1OCC(=O)c2ccc(C)c(C)c2",282.3337,282.338999999999,3.76774,43.37]
["S138","OC1C2CCN(CC2)/C/1=C/c3ccc(cc3)C(F)(F)F",283.2888,283.293,3.1328,23.47]
["S139","CCOC1CCCCC1NS(=O)(=O)c2ccccc2",283.3864,283.393,2.3126,55.4]
["S140","CCC(=O)c1ccc(Oc2ncnc3sccc23)cc1",284.3329,284.34,4.0763,52.08]
["S141","CCOc1ccc(CNc2cccc(C(=O)O)c2C)cc1",285.3376,285.343,3.70402,58.56]
["S142","CCCn1nnnc1NCc2ccc(Cl)cc2Cl",286.1604,286.166,3.002,55.63]
["S143","COc1ccc(OCC(O)CNc2ccc(C)cc2)cc1",287.3535,287.359,2.85542,50.72]
["S144","COc1ccccc1n2ncc3C(=O)NC(=Nc23)SC",288.3249,288.332,1.83929999999999,72.8]
["S145","Cc1ccc(C)c(c1)C(=O)NC2CC(C)(C)NC(C)(C)C2",288.4277,288.435,3.34244,41.13]
["S146","Cc1c(NC(=O)CCC2CCCCC2)cccc1C(=O)O",289.3694,289.375,3.99222,66.4]
["S147","CC1=CC(=O)C(=CN1CC(=O)N)OCc2ccccc2F",290.2896,290.294,1.36011999999999,74.32]
["S148","OC(=O)CSc1nc2ccccc2n1C3CCCCC3",290.3806,290.388,3.7182,55.12]
["S149","Brc1cccc(c1)c2oc(nn2)c3occc3",291.1001,291.104,3.7591,52.06]
["S150","CCCC(=O)N1CCN(CC1)c2cc(OCC)nc(C)n2",292.3766,292.383,1.63242,58.56]
["S151","CC(C)(C)NCc1cccc(Oc2ncccn2)c1",292.787549,257.337,3.157,47.04]
["S152","CCOc1ccc(\\C=C\\C2=NC(=O)c3ccccc3O2)cc1",293.3166,293.322,3.7571,52.33]
["S153","COc1ccc(cc1)c2c3CN(C)CCc3nc(N)c2C#N",294.351,294.358,2.19897999999999,75.1699999999999]
["S154","CN1CCN(CC1)C(=O)C(c2ccccc2)c3ccccc3",294.3907,294.398,2.5925,23.55]
["S155","Cc1ccc(cc1)c2csc(\\C=C\\c3cccc(F)c3)n2",295.3738,295.382,5.42802,12.89]
["S156","COc1cccc(c1)c2noc(n2)C(C)Oc3ccccc3",296.3205,296.325999999999,3.8852,57.38]
["S157","CC(C)(C)c1onc(NC(=O)c2c(F)cccc2Cl)c1",296.7245,296.729,4.0169,55.13]
["S158","Cc1ccccc1CS(=O)(=O)Nc2ccc(F)c(F)c2",297.3203,297.326,3.21512,46.17]
["S159","Cc1ccc(C)c(NC(=O)CSc2ncccc2C#N)c1",297.3748,297.383,3.30092,65.78]
["S160","COc1cccc(c1)C(=O)Nc2ncccc2Cl",298.143549,262.696,2.9959,51.22]
["S161","CN1C(=O)Cc2cc(NC(=O)Cc3ccc(F)cc3)ccc12",298.3116,298.317,2.5258,49.41]
["S162","Brc1ccc(\\C=C\\c2nc3ccccc3[nH]2)cc1",299.1652,299.171,4.4958,28.68]
["S163","COc1ccc(cc1)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3",299.3642,299.37,2.9419,55.4]
["S164","Cc1ccc(Cl)c2sc(nc12)N3CCOCC3",304.209549,268.769,3.09472,25.36]
["S165","CCN(CCO)c1nc(N2CCCCC2)c3cnn(C)c3n1",304.3906,304.397999999999,1.17219999999999,70.31]
["S166","CCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1",313.805549,278.354999999999,4.55482,45.15]
["S167","CCc1cccc2c(cn(CCOc3ccccc3Cl)c12)C#N",324.804,324.811,4.80778,37.95]
["S168","COCC(C)NC1=NN=C(CS1)c2ccc(C)c(C)c2",326.863549,291.42,2.73484,45.98]
["S169","Cc1cc(Nc2ccc(Br)c(C)c2)n3nc(C)nc3n1",332.1984,332.205,3.55566,55.11]
["S170","Clc1cccc(c1)c2nc(NCc3occc3)c4ccccc4n2",335.7869,335.794,5.1553,50.95]
["S171","Cc1ccccc1OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2",339.7939,339.8,2.53232,72.47]
["S172","CCOc1cc2CCNC(c3cc(C)c(O)c(C)c3)c2cc1OCC",341.44398,341.451,4.04154,50.72]
["S173","Fc1ccc(NC(=O)Cc2csc(NC(=O)c3occc3)n2)cc1",345.3481,345.355,3.3087,84.23]
["S174","CCOc1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1",348.247549,312.8,5.33892,34.15]
["S175","OCCNc1nc(Nc2ccc(Cl)cc2)nc3ccccc13",350.223549,314.776,3.431,70.07]
["S176","CCN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(cc3)C(F)(F)F",351.2832,351.288,1.54249999999999,82.67]
["S177","COc1ccc(cc1)N(C(C)C(=O)N2CCCCCC2)S(=O)(=O)C",354.4643,354.472,2.2523,66.92]
["S178","CN(C)CCN(C(=O)C)c1nc2cc3OCCOc3cc2s1",356.845549,321.402,1.98199999999999,54.9]
["S179","OCCN1CCN(CC(O)COC2CCCCC2)CC1",357.317097,286.416,0.3065,56.17]
["S180","CCN(CC)CCN1C(Nc2ccccc2C1=O)c3ccc(Cl)cc3",357.877,357.885,4.2483,35.58]
["S181","Cc1ccc(NC(=O)CSC2=Nc3c(cnn3CCO)C(=O)N2)cc1",359.4028,359.411,1.15111999999999,112.9]
["S182","Cc1ccc(Cl)cc1NC(=O)NC2CN(C(=O)C2)c3cccc(F)c3",361.7978,361.804,3.71452,61.44]
["S183","CCNC(=O)Cn1c(CO)cnc1SCc2cc(OC)cc(OC)c2",365.4472,365.455,1.821,85.61]
["S184","CC(C)(C)c1ccc(NC(=O)NCc2nnnn2c3cccc(F)c3)cc1",368.408,368.416,3.4206,84.7299999999999]
["S185","Fc1ccc(cc1)c2nc3ncccn3c2Nc4cccc(c4)C(F)(F)F",372.3189,372.325,5.2978,42.22]
["S186","OC(CNC1CCCC1)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24",377.3074,377.315,4.9944,37.19]
["S187","COc1cc2NC(=O)CC(c3cccc(Cl)c3Cl)c2c(OC)c1OC",382.2378,382.243,4.4933,56.79]
["S188","CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cs1",386.296,386.304,4.6157,71.09]
["S189","Clc1ccc(cc1)N2CC(CC2=O)NC(=O)NCc3ccc4OCOc4c3",387.8169,387.823,2.6734,79.9]
["S190","OC(CNc1ccc(Br)cc1)Cn2c3ccccc3c4ccccc24",395.2923,395.3,5.03,37.19]
["S191","COCCN(Cc1ccc(OCC(O)CN(C)Cc2ccccc2)cc1)C(C)C",400.5542,400.563,3.4151,45.17]
["S192","CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C=C2OC)c3ccc(F)cc3",404.3922,404.398,1.2945,93.97]
["S193","Cc1ccc(NC(=O)c2cn(C)c3C(=O)N(C(=O)Nc23)c4ccc(F)cc4)c(C)c1",406.4096,406.417,3.02574,88.8899999999999]
["S194","Cc1onc(c2ccccc2Cl)c1C(=O)NCc3nnnn3c4ccc(F)cc4",412.8048,412.812,3.34822,98.73]
["S195","CCOc1ccc2nc(NC(=O)NC3CN(C(=O)C3)c4ccc(F)cc4)sc2c1",414.4532,414.462,3.7611,83.56]
["S196","COc1ccc2sc(nc2c1)N(CCN(C)C)C(=O)c3ccc(cc3)C#N",415.916549,380.473,3.38498,69.46]
["S197","FC(F)(F)c1ccccc1C2CC(=O)NC3=C2C(=O)CC(C3)c4ccccc4Cl",419.824,419.83,5.3631,46.17]
["S198","COc1ccc(OC)c(NC(=O)CSc2nc(ns2)c3ccccc3Cl)c1",421.9209,421.931,4.6065,73.34]
["S199","CS(=O)(=O)N(CC(O)Cn1c2ccccc2c3ccccc13)c4ccc(Cl)cc4",428.9317,428.941,4.275,62.54]
["S200","CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc12",432.9172,432.926,3.3822,83.55]
["S201","CN(C)CCN(C(=O)c1ccc2CCCCc2c1)c3nc4c(F)cccc4s3",432.962952,397.519,4.5226,36.44]
["S202","CCOc1cc(ccc1O)C2CC(=O)NC3=C2C(=O)CC(C3)c4ccc(OC)c(OC)c4",437.4849,437.492,3.8124,94.09]
["S203","COc1ccc(cc1OC)N2CC(CC2=O)NC(=O)N3CCN(CC3)c4ccccc4F",442.4832,442.491,2.48,74.35]
["S204","NC(=O)C1CCN(CC1)c2ccc3cccc(OCC(=O)Nc4ccc(cc4)C(=O)N)c3n2",447.4864,447.495,2.05289999999999,140.64]
["S205","CCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2c3nc(nn13)c4ccccc4",451.5413,451.552,3.9222,81.85]
["S206","COc1ccc(OC)c(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)c1",464.5765,464.587,5.3407,67.87]
["S207","CCCN1C=C(C(=O)N2CCN(CC2)c3ccccc3OC)C4=NN(C(=O)C4=C1)c5ccccc5",471.5508,471.561,3.5198,72.6]
["S208","CCS(=O)(=O)c1ccc(nn1)c2cccc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)c2",474.5531,474.564,2.4398,126.399999999999]
["S209","CN1C(=O)N(C)c2c(C1=O)n(CCCc3ccccc3)c4nnc(c5ccc(Br)cc5)n24",493.3558,493.365,3.1437,79.12]
["S210","COCCN1C(=O)C2=C(CC(C)S2)N=C1SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F",493.9506,493.96,4.3294,73.22]

{"sheet":"6","index":6,"n_rows":74,"n_cols":31,"rows_kept":74,"merged":[[0,0,0,18]]}
["Data associated with Extended Data Fig 3e"]
{"$rows_empty":12}
["ID","Exact mass","NL (Da)","CE (V)","Exact mass","MW + Salt","Formula","Monoisotopic Mass","Charge State","Selected Tune","Tune Result","Polarity","Q1","Q1 Intensity","DP","DP Intensity","EP","Q3 Mass 1","NL (Da)","Q3 Intensity 1","CE 1","CE Intensity 1","CXP 1","CXP Intensity 1","Q3 Mass 2","NL (Da)","Q3 Intensity 2","CE 2","CE Intensity 2","CXP 2","CXP Intensity 2"]
["S6",{"v":384.1717,"d":"384.17"},{"$f":"S15","v":{"v":85.64399999999995,"d":"86"}},{"$f":"U15","v":31},{"v":384.1717,"d":"384.17"},{"v":385.1717,"d":"385.17"},"C17H21BN6O4",384.175,1,"FineTune +","Pass","Positive",385.203,{"v":31411077,"d":"3.1E+07"},110,{"v":39186021,"d":"3.9E+07"},10,299.559,{"v":85.64399999999995,"d":"86"},{"v":13612048,"d":"1.4E+07"},31,{"v":13612048,"d":"1.4E+07"},9,{"v":14092800,"d":"1.4E+07"},200.455,{"$f":"M15-Y15","v":{"v":184.74799999999996,"d":"185"}},{"v":11188917,"d":"1.1E+07"},59,{"v":11188917,"d":"1.1E+07"},12,{"v":10929397,"d":"1.1E+07"}]
["S7",{"v":403.1486,"d":"403.15"},{"v":85.64600000000002,"d":"86"},{"$f":"U16","v":35},{"v":403.1486,"d":"403.15"},{"v":404.1486,"d":"404.15"},"C17H22BN5O4S",403.152,1,"FineTune +","Pass","Positive",404.173,{"v":47333231,"d":"4.7E+07"},120,{"v":60633844,"d":"6.1E+07"},10,318.527,{"v":85.64600000000002,"d":"86"},{"v":26256170,"d":"2.6E+07"},35,{"v":26256170,"d":"2.6E+07"},9,{"v":26808965,"d":"2.7E+07"},219.455,{"v":184.718,"d":"185"},{"v":20579736,"d":"2.1E+07"},58,{"v":20579736,"d":"2.1E+07"},12,{"v":19185006,"d":"1.9E+07"}]
["S8",{"v":440.1867,"d":"440.19"},{"v":85.666,"d":"86"},38,{"v":440.1867,"d":"440.19"},{"v":441.1867,"d":"441.19"},"C21H25BN4O6",440.191,1,"FineTune +","Pass","Positive",441.219,{"v":39857385,"d":"4.0E+07"},50,{"v":49742464,"d":"5.0E+07"},10,355.553,{"v":85.666,"d":"86"},{"v":20951850,"d":"2.1E+07"},38,{"v":20951850,"d":"2.1E+07"},7,{"v":20234376,"d":"2.0E+07"},210.472,{"v":230.74699999999999,"d":"231"},{"v":11036692,"d":"1.1E+07"},77,{"v":11036692,"d":"1.1E+07"},11,{"v":10965938,"d":"1.1E+07"}]
["S9",{"v":447.2078,"d":"447.21"},{"$f":"Z18","v":{"v":85.62099999999998,"d":"86"}},39,{"v":447.2078,"d":"447.21"},{"v":448.2078,"d":"448.21"},"C23H26BN5O4",447.212,1,"FineTune +","Pass","Positive",448.221,{"v":55990154,"d":"5.6E+07"},80,{"v":70464735,"d":"7.0E+07"},10,263.519,{"v":184.702,"d":"185"},{"v":32158328,"d":"3.2E+07"},39,{"v":32158328,"d":"3.2E+07"},15,{"v":26439773,"d":"2.6E+07"},362.6,{"v":85.62099999999998,"d":"86"},{"v":30712074,"d":"3.1E+07"},39,{"v":30712074,"d":"3.1E+07"},11,{"v":28763106,"d":"2.9E+07"}]
["S10",{"v":454.2024,"d":"454.20"},{"$f":"S19","v":{"v":85.63100000000003,"d":"86"}},35,{"v":454.2024,"d":"454.20"},{"v":455.2024,"d":"455.20"},"C22H27BN4O6",454.207,1,"FineTune +","Pass","Positive",455.213,{"v":53866000,"d":"5.4E+07"},120,{"v":66819561,"d":"6.7E+07"},10,369.582,{"v":85.63100000000003,"d":"86"},{"v":28796690,"d":"2.9E+07"},35,{"v":28796690,"d":"2.9E+07"},11,{"v":27437875,"d":"2.7E+07"},270.511,{"v":184.702,"d":"185"},{"v":3948807,"d":"3.9E+06"},55,{"v":3948807,"d":"3.9E+06"},8,{"v":4239133,"d":"4.2E+06"}]
["S11",{"v":495.1537,"d":"495.15"},{"v":86.09000000000003,"d":"86"},37,{"v":495.1537,"d":"495.15"},{"v":496.1537,"d":"496.15"},"C20H21BF3N5O6",495.156,1,"FineTune +","Pass","Positive",496.177,{"v":40584429,"d":"4.1E+07"},80,{"v":45173991,"d":"4.5E+07"},10,410.087,{"v":86.09000000000003,"d":"86"},{"v":36472363,"d":"3.6E+07"},37,{"v":36472363,"d":"3.6E+07"},14,{"v":38177378,"d":"3.8E+07"},364.144,{"v":132.03300000000002,"d":"132"},{"v":18634770,"d":"1.9E+07"},57,{"v":18634770,"d":"1.9E+07"},12,{"v":17636821,"d":"1.8E+07"}]
["S12",{"v":488.2231,"d":"488.22"},{"v":85.572,"d":"86"},38,{"v":488.2231,"d":"488.22"},{"v":489.2231,"d":"489.22"},"C26H29BN4O5",488.228,1,"FineTune +","Pass","Positive",489.219,{"v":54463538,"d":"5.4E+07"},80,{"v":67082403,"d":"6.7E+07"},10,403.647,{"v":85.572,"d":"86"},{"v":15504343,"d":"1.6E+07"},38,{"v":15504343,"d":"1.6E+07"},12,{"v":13074455,"d":"1.3E+07"},304.553,{"v":184.666,"d":"185"},{"v":9096046,"d":"9.1E+06"},62,{"v":9096046,"d":"9.1E+06"},9,{"v":8298954,"d":"8.3E+06"}]
["S13",{"v":532.2258,"d":"532.23"},{"v":85.61100000000005,"d":"86"},35,{"v":532.2258,"d":"532.23"},{"v":533.2258,"d":"533.23"},"C24H34BN4O7P",532.232,1,"FineTune +","Pass","Positive",533.214,{"v":64380462,"d":"6.4E+07"},50,{"v":77997097,"d":"7.8E+07"},10,447.603,{"v":85.61100000000005,"d":"86"},{"v":32130666,"d":"3.2E+07"},35,{"v":32130666,"d":"3.2E+07"},13,{"v":32793835,"d":"3.3E+07"},309.449,{"v":223.76500000000004,"d":"224"},{"v":30762864,"d":"3.1E+07"},60,{"v":30762864,"d":"3.1E+07"},9,{"v":28460472,"d":"2.8E+07"}]
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{"sheet":"8","index":8,"n_rows":65,"n_cols":16,"rows_kept":65,"merged":[[0,0,0,3],[1,2,1,4],[1,5,1,7],[1,8,1,10]]}
["Data associated with Extended Data Fig 3g"]
[null,null,"100 Da",null,null,"150 Da",null,null,"200 Da"]
["ID","Exact mass","signal intensity","Stdev.p","%CV","signal intensity","Stdev.p","%CV","signal intensity","Stdev.p","%CV"]
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["Data associated with Extended Data Fig 3j"]
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{"sheet":"12","index":12,"n_rows":387,"n_cols":81,"rows_kept":387,"merged":[[0,0,0,5],[0,6,1,59],[0,62,1,80]]}
["data associated with Fig 2c. Extended Data Fig 4a",{"$nulls":5},"TIDA 1 C-N coupling: 384 Data points",{"$nulls":55},"TIDA 1 C-N coupling:  64 conditions"]
[]
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[{"$nulls":7},{"v":2.336140829108232,"d":"2"},null,null,10,{"$nulls":23},{"v":1.948736380712411,"d":"2"},{"$nulls":27},"cataCXium Pd G4,BTMG_NMP",{"v":1.8781616551754794,"d":"2"},{"$nulls":8},"cataCXium Pd G4,BTMG_NMP",{"v":2.7048746973916464,"d":"3"}]
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["Data associated with Extended Data Fig 4b",{"$nulls":5},"TIDA 1 C-C coupling: 384 Data points",{"$nulls":55},"TIDA 1 C-C coupling:  64 conditions"]
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[{"$nulls":7},8,null,"B",{"$f":"K6","v":0},0,1,1,4,4,4,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,{"v":6.625284400039568,"d":"7"},null,{"$f":"AK6","v":0.32396874072608567},0.4451478880205757,0.3585913542387971,0.8630922939954496,3.8518763431972225,3.843610514134568,15.366176227475616,11.07621094395768,0.04014653485221057,0.015054950569578963,0.265970793395895,0.2408792091132634,0.026454614774124273,0.06068999859946157,7.7807690512130216E-3,0.006224615240970417,0.16118987434516613,0.05495109352676118,0.021980437410704472,0.45792577938967655,0.010703200256876806,0,0,0.05351600128438403,null,null,"tBu3P Pd G3, MTBD_DMF-H2O",21,{"$nulls":8},"tBu3P Pd G3, MTBD_DMF-H2O",{"v":17.24268614060541,"d":"17"}]
[{"$nulls":7},8,null,"C",0,1,0,0,1,3,8,13,0,0,0,0,0,4,0,0,0,0,0,0,0,1,0,0,{"v":11.403205064793749,"d":"11"},null,0.31407656543673956,1.558017608072015,0.06429913938074983,0.014838262934019191,4.413952719457762,9.142006943296412,14.266820962142504,27.6161348983303,0.0953480202740001,0.07527475284789481,0.015054950569578963,0.3813920810960004,0.0342353838253373,1.5670468869143026,3.1123076204852087E-3,0.059133844789218966,0.10623878081840496,0.09891196834817013,0.26376524892845365,0.09524856211305271,0.02140640051375361,0.6475436155410468,0,0.29968960719255056,null,null,"XantPhos Pd G4, MTBD_DMF-H2O",{"v":15.833333333333334,"d":"16"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMF-H2O",{"v":14.45837771855544,"d":"14"}]
[{"$nulls":7},7,null,"D",1,0,13,7,7,2,7,8,0,0,0,0,0,1,0,0,4,6,7,4,0,0,0,0,{"v":6.150459986150954,"d":"6"},null,1.251360174102285,0.3561183104164606,6.692056583242655,1.7682263329706203,4.331294428831212,2.5128120350471153,9.869399900810052,7.786410977020995,0.13047623826968435,0.04516485170873689,0.140512871982737,2.248205951723792,0.25987768631051494,0.2178615334339646,0.06068999859946157,0.02801076858436688,2.7768619262189986,6.176502912407957,9.132871744147709,2.410521302707257,0.10168040244032966,0.06421920154126083,0.016054800385315208,0.39601840950444184,null,null,"RuPhos G4, Cs2CO3_DMF-H2O",{"v":40.666666666666664,"d":"41"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMF-H2O",{"v":45.344405155435425,"d":"45"}]
[{"$nulls":7},2,null,"E",14,9,31,12,35,41,77,49,21,23,62,96,67,91,84,56,41,51,86,75,46,41,94,40,{"v":1.1054505885844297,"d":"1"},null,6.914630527252943,13.097240083094272,100,6.2246513008210504,60.14217225987767,36.74161018350141,100,93.23028599768557,9.489637175691273,17.007075826767704,53.711045315401215,100,38.09308912092871,54.22417951790355,35.72929148317019,32.729026937022454,77.27955452980181,71.67454299007217,63.37326446129612,82.4303036963769,23.2580541581933,34.432195226372684,75.54853901316494,33.431446002354704,null,null,"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":1.1666666666666667,"d":"1"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":2.841829333133937,"d":"3"}]
[{"$nulls":7},10,null,"F",2,2,2,2,6,4,2,4,0,0,2,2,1,0,0,0,2,0,0,0,1,0,0,0,{"v":3.3138787219309527,"d":"3"},null,0.9867444851122762,1.0906123256504106,0.8433079434167573,0.8062122860817094,8.406348156720119,8.365019011406844,8.579930567035873,8.869234584228797,0.20575099111757916,0.05018316856526321,0.48677673508305314,1.124102975861896,0.3236799925304617,0.020229999533153856,0.04824076811752073,0.018673845722911253,1.937941898377111,0.05128768729164377,0.14287284316957907,0.13188262446422683,0.941881622605159,0.05351600128438403,0.26758000642192015,0.63684041528417,null,null,"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":51.166666666666664,"d":"51"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":48.274447108169,"d":"48"}]
[{"$nulls":7},8,null,"G",14,13,59,37,5,36,32,15,11,42,40,39,31,100,29,11,29,27,36,11,16,72,31,13,{"v":6.758828766445742,"d":"7"},null,11.704916411118806,6.407656543673954,37.9364922346424,29.9213572064497,14.944618945280212,79.32716151429989,48.09885931558935,8.414613985782774,5.495056957896321,30.656897676519296,12.927184222411803,59.16595573844533,9.872239772179082,58.441356343661006,9.87690823360981,4.828745273182801,24.41660255705755,33.794922518958124,39.09953474740814,9.180496025204235,16.90035320560848,61.62902707909665,23.08680295408327,11.746762281922294,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":33.666666666666664,"d":"34"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":32.782672938472736,"d":"33"}]
[{"$nulls":7},{"$f":"M5","v":12},null,"H",16,10,29,42,12,20,13,28,11,11,15,53,27,58,11,24,39,60,100,75,13,14,8,16,{"$f":"AM5","v":{"v":7.982985458502324,"d":"8"}},null,15.298249084973786,10.537639726975963,10.443664061727175,36.71233554258581,20.003306331625062,33.54273433625393,22.06976359728881,20.8960158703918,7.858684197320219,5.264214382496111,6.1875846840969535,56.56646760676469,16.272700393706913,17.540965749054635,3.201008387669037,6.370893699133222,50.28025057698648,54.2184122797377,38.407150968970946,100,19.699240072781762,6.764422562346142,2.8363480680723536,10.874451460986835,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":3},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":5.137776350650456,"d":"5"}}]
[{"$nulls":7},{"$f":"M6","v":1},null,"I",15,8,100,82,43,81,100,43,27,17,100,66,50,90,55,34,36,69,89,48,46,39,64,24,{"$f":"AM6","v":{"v":0.3585913542387971,"d":"0"}},null,22.64071619349095,8.4281333465229,57.889009793253535,68.74567217331091,38.915523226979666,29.839642916184495,41.287816167961644,33.76591172094561,30.687007577658452,8.656596577507903,60.902293370803434,59.175992372158376,25.94264017055446,44.8716951183455,34.61975381646722,18.739204182941442,61.054328314466794,51.56244275927757,81.85148551122835,25.83434077004799,62.91341110992187,52.15134325163224,55.75832173819972,21.17628170823076,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":0.8333333333333334,"d":"1"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":2.670083263595371,"d":"3"}}]
[{"$nulls":7},0,null,"J",1,1,2,4,3,2,4,3,0,0,2,2,0,0,0,0,1,0,0,0,0,0,0,0,{"v":0.06429913938074983,"d":"0"},null,0.5885844297160946,0.24235829458898012,0.7493322781679691,0.8457809872390939,3.603901471317573,6.951562241692842,17.51529178376591,6.9846255579434615,0.11542128770010539,0.15054950569578962,0.6573995082049481,1.124102975861896,0.11671153576819533,0.02178615334339646,0.045128460497035526,0.037347691445822506,0.959812433600762,0.16118987434516613,0.06227790599699601,0.06594131223211341,0.3532056084769346,0.016054800385315208,0.1444932034678369,0.2889864069356738,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":1.3333333333333333,"d":"1"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":2.435508768106962,"d":"2"}]
[{"$nulls":7},13,null,"K",7,8,49,14,12,49,16,11,3,23,17,26,30,46,3,2,24,0,27,2,13,0,5,6,{"v":6.692056583242655,"d":"7"},null,6.635176575328915,6.625284400039568,38.29755663270353,3.7120387773271344,14.332947594643743,50.487683914696646,35.559596627541744,15.845594313109604,2.8052391227982136,17.599237215837807,4.059818336929793,25.03136448035329,13.035900468402296,28.72193087564775,1.0488476681035153,0.291000762515367,24.32501740117962,0.021980437410704472,21.81558413012419,1.850020148734293,8.648185807556459,0,4.532805308787327,6.304184951300439,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":4.5,"d":"5"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":4.318597649861322,"d":"4"}]
[{"$nulls":7},31,null,"L",5,8,28,28,9,23,9,10,2,3,6,15,12,20,4,{"$f":"Z16","v":4},30,41,69,42,4,0,4,15,100,null,8.957364724502918,11.403205064793749,15.899198733801564,28.961816203383123,17.457430980327327,23.226979666060505,13.994048603074889,7.075549677632667,0.9434435690269484,0.7025643599136849,3.09630150047674,5.1287198273699,5.353169107234559,5.101072189975257,1.2278053562814149,{"$f":"AZ16","v":0.6442476774404382},27.068908671282557,46.31644503058944,55.46763380591274,65.17199692273876,1.0596168254308038,0,1.9693888472653323,15.92101038210425,null,null,"RuPhos G4, BTMG_DMSO-tAmOH",{"v":72.33333333333333,"d":"72"},{"$nulls":8},"RuPhos G4, BTMG_DMSO-tAmOH",{"v":71.39369004550541,"d":"71"}]
[{"$nulls":7},2,null,"M",{"$f":"K17","v":10},7,0,0,0,38,13,9,19,15,0,0,73,82,0,0,38,66,0,0,44,36,0,0,{"v":0.8433079434167573,"d":"1"},null,{"$f":"AK17","v":10.812147591255316},6.150459986150954,0,0,21.87138369978509,51.89287485534799,4.769383369151926,4.256901967267317,15.787624830631806,10.99513223264917,0,0.005018316856526321,54.381351052738054,100,3.1123076204852087E-3,0,38.71121368648569,63.75792211598344,0.010990218705352236,0.03297065611605671,29.22508830140212,39.270041742481,0,0.026758000642192015,null,null,"tBuXphos Pd G4, BTMG_DMSO-tAmOH",1,{"$nulls":8},"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":1.7281181438741173,"d":"2"}]
[{"$nulls":7},59,null,"N",1,2,0,0,6,5,15,9,1,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,{"v":37.9364922346424,"d":"38"},null,0.692452270254229,1.1054505885844297,0,0.02473043822336532,7.836005951396925,15.357910398412962,4.397421061332452,3.9675979500743925,1.3700005018316856,0.1906960405480002,0.025091584282631606,0,0.3143430696690061,0.020229999533153856,0,0.01089307667169823,0.8609004652525919,0.21614096787192733,0,0.003663406235117412,0.27828320667879697,0.1605480038531521,0.04816440115594563,0,null,null,"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":37.833333333333336,"d":"38"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":28.504296951290797,"d":"29"}]
[{"$nulls":7},29,null,"O",10,10,0,1,8,86,15,8,5,24,0,0,11,65,0,0,10,22,0,0,10,100,0,0,{"v":10.443664061727175,"d":"10"},null,6.380453061628252,3.3138787219309527,0,0.41794440597487387,18.102165647214417,93.7923623739461,11.224995867085468,5.017358241031576,4.1601846740603206,24.554624378983288,0.015054950569578963,0.010036633713052643,4.698028353122423,39.4002583215325,0,0.01711769191266865,8.601677840055684,28.585558852621165,0.014653624940469649,0.007326812470234824,7.759820186235684,100,0,0.1444932034678369,null,null,"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":29.333333333333332,"d":"29"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":13.857586627970877,"d":"14"}]
[{"$nulls":7},100,null,"P",12,8,0,0,16,43,29,40,14,18,0,0,42,93,0,0,33,40,0,0,32,0,0,0,{"v":57.889009793253535,"d":"58"},null,12.070926896824611,6.758828766445742,0.03709565733504798,0.01236521911168266,25.252107786410978,56.53000495949744,23.673334435443874,41.19689204827244,14.713705023335173,9.770662919656747,0.005018316856526321,0.015054950569578963,11.552885887241095,55.691632560962326,0,0,45.690002564384365,67.93420522401729,0,0,62.47993149951836,0.010703200256876806,0.02140640051375361,0.010703200256876806,null,null,"RuPhos G4, MTBD_DMSO-tAmOH",{"v":84.66666666666667,"d":"85"},{"$nulls":8},"RuPhos G4, MTBD_DMSO-tAmOH",{"v":55.384780066318974,"d":"55"}]
[{"$nulls":7},2,{"$nulls":26},{"v":0.7493322781679691,"d":"1"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":1.3333333333333333,"d":"1"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":3.195653856683449,"d":"3"}]
[{"$nulls":7},49,null,null,"scale",{"$nulls":23},{"v":38.29755663270353,"d":"38"},{"$nulls":27},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":19.5,"d":"20"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":17.552368117365017,"d":"18"}]
[{"$nulls":7},28,null,null,100,100,{"$nulls":22},{"v":15.899198733801564,"d":"16"},{"$nulls":27},"XantPhos Pd G4, MTBD_DMSO-tAmOH",20,{"$nulls":8},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":15.27572947446878,"d":"15"}]
[{"$nulls":7},0,null,null,90,{"$nulls":23},0,{"$nulls":27},"RuPhos G4, Cs2CO3_DMSO-tAmOH",{"v":2.1666666666666665,"d":"2"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMSO-tAmOH",{"v":0.797247649246294,"d":"1"}]
[{"$nulls":7},0,null,null,80,{"$nulls":23},0,{"$nulls":27},"tBuXphos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":2.5,"d":"3"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":0.7451128411285048,"d":"1"}]
[{"$nulls":7},0,null,null,70,{"$nulls":23},0,{"$nulls":27},"tBu3P Pd G3, Cs2CO3_DMSO-tAmOH",{"v":2.5,"d":"3"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMSO-tAmOH",{"v":1.8757840737659197,"d":"2"}]
[{"$nulls":7},0,null,null,60,{"$nulls":23},{"v":0.03709565733504798,"d":"0"},{"$nulls":27},"XantPhos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":4.833333333333333,"d":"5"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":3.9561424683582,"d":"4"}]
[{"$nulls":7},{"$f":"N5","v":10},null,null,50,{"$nulls":23},{"$f":"AN5","v":{"v":3.1729152240577703,"d":"3"}},{"$nulls":27},"RuPhos G4, DBU_DMF-tAmOH",{"$f":"BS4","v":3},{"$nulls":8},"RuPhos G4, DBU_DMF-tAmOH",{"$f":"CC4","v":{"v":2.565002371760093,"d":"3"}}]
[{"$nulls":7},{"$f":"N6","v":1},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":0.8630922939954496,"d":"1"}},{"$nulls":27},"tBuXphos Pd G4, DBU_DMF-tAmOH",{"v":1.3333333333333333,"d":"1"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMF-tAmOH",{"$f":"CC5","v":{"v":2.116308140496904,"d":"2"}}]
[{"$nulls":7},0,null,null,30,{"$nulls":23},{"v":0.014838262934019191,"d":"0"},{"$nulls":27},"tBu3P Pd G3, DBU_DMF-tAmOH",{"v":2.1666666666666665,"d":"2"},{"$nulls":8},"tBu3P Pd G3, DBU_DMF-tAmOH",{"v":4.744406209409191,"d":"5"}]
[{"$nulls":7},7,null,null,20,{"$nulls":23},{"v":1.7682263329706203,"d":"2"},{"$nulls":27},"XantPhos Pd G4, DBU_DMF-tAmOH",{"v":3.1666666666666665,"d":"3"},{"$nulls":8},"XantPhos Pd G4, DBU_DMF-tAmOH",{"v":2.4395656237519123,"d":"2"}]
[{"$nulls":7},12,null,null,10,{"$nulls":23},{"v":6.2246513008210504,"d":"6"},{"$nulls":27},"RuPhos G4, BTMG_DMF-tAmOH",{"v":54.666666666666664,"d":"55"},{"$nulls":8},"RuPhos G4, BTMG_DMF-tAmOH",{"v":58.00761898904344,"d":"58"}]
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["Data associated with Extended Data Fig 4c",{"$nulls":5},"TIDA 1 C-O coupling: 384 Data points",{"$nulls":55},"TIDA 1 C-O coupling:  64 conditions"]
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[{"$nulls":7},{"$f":"M5","v":{"v":49.785062737976425,"d":"50"}},null,"H",7.930122630793954,55.98487513531175,64.76630798400487,84.91676798840598,10.348983801879646,58.93925693615225,86.02844269131214,81.70069236623802,42.47684558247513,48.202954785848945,45.491011143492784,50.183763851881466,18.760814416839203,4.694547980345534,12.921775837915801,27.07362426585583,5.356653085166847,63.65002704252633,72.92030025360164,92.15813919272861,20.567382449292367,13.976684332386581,27.278271626906022,59.52243988849968,{"$f":"AM5","v":{"v":42.975371422873664,"d":"43"}},null,4.586698574135008,52.27839266128228,49.75570844550803,55.46913949546315,9.956917185256103,39.668102760491465,75.60236157651188,66.10818573480134,33.22132274324118,54.533883203502874,39.188432360877755,55.3688712387353,17.051437829080598,6.164439044147428,13.932766302146618,24.341838801134063,4.552038071591144,53.36230084833437,80.74694806538382,72.78088144009932,20.905752753977968,6.731946144430845,34.100367197062425,84.70012239902081,null,null,"AcOH-1eq, Ti(OiPr)₄-1eq_DMAc",{"$f":"BR4","v":{"v":39.61208598033839,"d":"40"}},{"$nulls":8},"AcOH-1eq, Ti(OiPr)₄-1eq_DMAc",{"$f":"CB4","v":{"v":32.986473828177985,"d":"33"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":89.65438547902029,"d":"90"}},null,"I",5.602321027280183,13.812394845816838,47.954175159540064,43.815016304094144,8.702143027210807,22.44602687639442,43.67156194456659,26.718770078868452,44.237143077092284,43.396934755671595,68.52815080552685,69.42969747534647,29.582704684189792,51.10312480893625,22.08952076952709,8.988889419737523,3.9158024625810435,30.365634658187908,50.15152450443091,43.662505561229175,27.18915234429221,51.501245134834015,32.0067081725883,21.96945107766429,{"$f":"AM6","v":{"v":75.08226144181873,"d":"75"}},null,4.22773955528966,5.932794894805065,33.17379599162429,39.12653305414298,7.340035104515717,21.780756342747726,45.84330620711664,22.96154459869156,36.42380734178504,34.84547629957741,49.54941194440202,70.59212871035079,22.802754151478332,36.97043337383556,19.319562575941678,10.449574726609963,4.603765776950135,33.78853714049245,43.813366439064765,29.929650320711772,28.812729498164014,43.182374541003675,13.659730722154222,17.91921664626683,null,null,"AcOH-2eq, Ti(OiPr)₄-1eq_DMAc",{"v":61.56199969146059,"d":"62"},{"$nulls":8},"AcOH-2eq, Ti(OiPr)₄-1eq_DMAc",{"$f":"CB5","v":{"v":50.00002233173037,"d":"50"}}]
[{"$nulls":7},{"v":74.86889490027495,"d":"75"},null,"J",5.281032703767836,16.043325901837573,40.05083223120472,47.95804839882015,8.549336182673427,7.415452599040148,11.144610844985667,10.6206035193971,42.24136084617107,50.916767354683714,79.38040225798483,81.27067285040918,28.626133076922304,35.220507224757114,16.37508705824809,1.5297388569952801,3.222531877717246,18.139861963175466,20.224685236827604,25.263022935452643,25.35639566223244,21.66744746802432,16.969635370190183,11.411065754891625,{"v":56.39645029414697,"d":"56"},null,5.264732276398444,7.36863097018646,27.699670954232726,22.484794097118357,7.148555927876177,8.568693154619435,7.292165310355832,7.004946545396521,33.26205386691105,53.40359452166387,74.3495748688967,84.36943129168576,36.711219117051435,47.55771567436209,26.0996354799514,2.0980153908464967,1.9863438857852265,12.704324436168012,15.549348230912477,19.57376370784192,21.811505507955935,27.466340269277847,20.2937576499388,13.145654834761322,null,null,"AcOH-3eq, Ti(OiPr)₄-1eq_DMAc",{"v":63.24563198931306,"d":"63"},{"$nulls":8},"AcOH-3eq, Ti(OiPr)₄-1eq_DMAc",{"v":63.36917366366588,"d":"63"}]
[{"$nulls":7},{"v":60.639416120047926,"d":"61"},null,"K",5.040066683411612,37.29355371459945,56.177812472909864,52.35321314018854,8.5178139356315,3.8865840460059204,7.596835324135689,11.066302769689994,38.85153170741646,75.72547207978265,91.68347949088944,86.07337109077174,27.154088171136987,1.0007035489161613,1.4539988660627687,1.0023008835956968,4.460548136496471,10.878894707500935,16.32990078223426,19.744062750175353,25.713394997659307,2.3181034225130936,3.4516537475510938,6.4563449094306105,{"v":67.68371722006182,"d":"68"},null,2.5426263834878853,24.020341011067902,42.04806062418985,35.447203110978165,10.48348492101484,2.808361257379927,6.318812829104835,12.557842667943195,31.352782444885698,46.71859884934575,95.63158698640599,72.54213125604602,20.51032806804374,1.7253948967193196,1.757796678817335,1.968408262454435,2.7001862197392925,7.614318228843368,13.314711359404097,26.0604179598593,20.514075887392902,2.1297429620563038,2.7906976744186047,5.5813953488372094,null,null,"AcOH-5eq, Ti(OiPr)₄-1eq_DMAc",{"v":60.869032081896385,"d":"61"},{"$nulls":8},"AcOH-5eq, Ti(OiPr)₄-1eq_DMAc",{"v":55.53608317548585,"d":"56"}]
[{"$nulls":7},{"v":41.22259865255053,"d":"41"},null,"L",4.301555190525621,27.132357680928767,48.612162609722,87.437056416389,8.589339765352523,13.733363158986785,21.54886958823045,46.312730113993105,43.70262907108479,67.2994688221328,91.11894023569211,75.60865700037787,25.694822610989036,0.9011373116466446,1.4165731240839379,{"$f":"Z16","v":7.208098062517561},3.7155740323941,21.959904649107628,28.10308591847198,79.09012220151432,26.197800837511146,3.16059260296966,5.7528524710158,32.17402674202549,{"v":29.644032306311697,"d":"30"},null,4.965599760693987,24.60863495862,35.10818625984645,100,8.377213977979896,13.674804531673848,24.860379767033667,43.14664113610978,37.66101522325747,45.690137976681434,82.4601598696604,56.16821954075658,28.934791413527744,0.9801539084649655,2.170919400567031,{"$f":"AZ16","v":7.492912110166059},2.845023794744465,13.200910407614318,29.82619490999379,51.53114007862611,30.012239902080783,2.766217870257038,6.780905752753978,31.701346389228885,null,null,"AcOH-1eq, Ti(OiPr)₄-2eq_DMAc",{"v":27.322826987432748,"d":"27"},{"$nulls":8},"AcOH-1eq, Ti(OiPr)₄-2eq_DMAc",{"v":25.017079414123273,"d":"25"}]
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[{"$nulls":7},{"v":12.047906755829064,"d":"12"},null,"B",{"$f":"K6","v":57.630729774107046},76.83835684014014,79.62738049079462,43.43750645336296,35.730067690042624,37.17917439967004,33.127079747817525,25.791284340054986,54.50031590866357,89.03172132990368,86.36377298354917,56.034124030506646,51.20934764243084,95.8492890024547,87.32379929869852,51.4131335176006,52.214885936956684,94.2609176580519,84.34350627827841,56.589462985243365,55.52480850290925,100,85.43565985857713,53.27104977358562,{"v":13.102630386696159,"d":"13"},null,{"$f":"AK6","v":30.04690456520001},74.08123017882366,84.6734003144738,27.365882258881218,31.176001821493625,28.267304189435336,16.88866120218579,15.1183970856102,39.569324746661614,54.657164504214414,60.46618998011175,53.05308267828393,30.8361639756177,75.79451863570797,58.46633474477688,34.40742636452468,30.532840939066208,55.91752396025675,74.33834520355228,48.68108678448958,33.696931423486525,90.80862301575911,51.64336768378448,28.639090622039785,null,null,"BOP-Cl, 2,6-Lutidine_DMF",{"v":10.693674971181366,"d":"11"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_DMF",{"v":9.606790831743927,"d":"10"}]
[{"$nulls":7},{"v":58.22556176986933,"d":"58"},null,"C",0.5272013052310566,6.153307727675771,2.0226437851083046,5.812487714887738,2.144225767333466,9.387331336411997,5.318604901836767,11.000798471233772,0.6753547462258945,2.0332064960883383,0,4.592707795862996,3.783494071555445,6.614424431511671,4.693714426348629,9.28629746053642,2.021308280442181,19.671244082702735,9.361156133837033,14.092503779115232,1.7104428702955599,4.695908382029651,3.092627346348246,7.404445738837426,{"v":85.31967060203075,"d":"85"},null,0.32646643392052876,4.972949924046585,1.6549849425685579,4.017535911307731,0.7741347905282332,3.773907103825137,2.219945355191257,5.248178506375227,0.12311771948101145,0.570603276825457,0.12903684060990625,1.541339141964201,0.4420455074217114,2.2032478712018984,0.9306221208878135,4.0109813410264765,0.22861162402180604,10.124857117734987,3.9435505143761542,6.603358832322167,0.24973447771048024,2.4399345523437725,1.050607113126848,3.932600396130551,null,null,"DPP-Cl, 2,6-Lutidine_DMF",{"v":74.22992052789094,"d":"74"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_DMF",{"v":56.21548133456283,"d":"56"}]
[{"$nulls":7},{"v":93.75819476575893,"d":"94"},null,"D",1.6149611099842187,56.04697076810732,58.80188527942314,45.7429452399062,3.1943029985689297,81.59294847984282,92.63543256616211,92.00130000383953,2.082501493946331,82.83180112412619,78.69404764715598,71.74404998450912,4.731656753074404,82.95281773143196,72.78962930318603,68.29844448319182,4.009430586208667,89.86071934173277,84.98926224649693,74.5022955296958,2.496416577416183,84.09961919793565,80.64719916323756,61.23334385549563,{"v":80.49862750846148,"d":"80"},null,2.0160967939663674,63.30783785944621,82.04967619859819,44.46472829997602,1.4287340619307833,49.36247723132969,69.01753187613843,53.01115664845173,0.8772137513022067,70.77374751396913,53.31944312908419,49.405720238658965,0.49788283467498023,39.884137545949464,41.46852170676097,48.82741612768135,0.8616899674668074,62.70113426536534,91.76558515782995,53.85562296667546,0.5884548038005569,37.47452421276229,51.7725406894968,20.954732037775926,null,null,"HATU, DIPEA_DMF",{"v":92.14279593599565,"d":"92"},{"$nulls":8},"HATU, DIPEA_DMF",{"v":68.04999470614639,"d":"68"}]
[{"$nulls":7},{"v":93.54300868470668,"d":"94"},null,"E",85.07904641860148,86.67024870529053,84.4967078118614,74.48406710120759,66.43016356967654,50.62065067846126,49.91195171451602,45.062835150441835,73.92743242369386,100,85.63440821932376,79.89257134807866,66.37498374295124,85.06488499182483,85.43631090029065,73.44821837167311,68.86479421070928,98.42192977143418,90.87778366882002,78.49242635971122,68.01131921609891,95.48972686220351,94.31855696059826,72.20961500159711,{"v":66.56317458625377,"d":"67"},null,57.536710817365346,92.42597873304373,68.4047117767769,76.28787676891507,56.85906193078324,24.533242258652095,50.59767759562842,38.131830601092894,54.16232597783881,72.93422672601572,49.43768349275499,47.660763329860785,60.118189009352754,67.48638965148201,53.72714159415569,35.75682843981201,53.91277587268091,73.1513233095929,37.531873736041504,38.38477094873824,17.246031518213393,55.848666647529924,33.28931882768321,67.88472026867986,null,null,"PyBOP, DIPEA_DMF",{"v":84.43897336330075,"d":"84"},{"$nulls":8},"PyBOP, DIPEA_DMF",{"v":72.55562710214399,"d":"73"}]
[{"$nulls":7},{"v":23.39055300358892,"d":"23"},null,"F",67.87742531452686,84.47445516890167,90.78727714949498,65.02509196182942,38.2575347633013,24.86381069716513,21.410381822831187,16.222170569161737,60.329022516584594,90.1309447311436,86.58508077791798,68.91676433285313,58.92481457946199,96.4358922029232,80.17334853514988,67.6584577444367,59.82861373416001,88.13883377392732,86.88898834285801,70.42784158138986,56.26355586453969,94.42885953539643,93.39659946261814,65.37983515279056,{"v":27.673693468006288,"d":"28"},null,54.19342803080777,77.10204407963116,75.31380753138075,64.98947312315113,33.72040072859745,17.412340619307834,18.909380692167577,12.955373406193079,48.54508002651766,68.19537835022255,96.56690974524102,46.656880386400225,31.545763342794658,81.67372388441673,45.18635707970778,56.223535433437256,40.85553503912776,80.29983293765937,83.50479205134968,42.803130220698144,57.5307862330281,71.55036311967162,65.9758302953756,48.327927203835,null,null,"BOP-Cl, DIPEA_DMF",{"v":16.25409474986569,"d":"16"},{"$nulls":8},"BOP-Cl, DIPEA_DMF",{"v":11.185201477477863,"d":"11"}]
[{"$nulls":7},{"v":33.9794094538414,"d":"34"},null,"G",0.25335162180208326,4.948893868660257,18.179775622078456,4.695080081529977,1.1262493638389008,11.886757831538777,15.319441811939088,9.484754094027737,0.3710550217651288,5.861953632258327,14.636342187513431,7.321514284555013,3.2593960133806092,7.531738572071851,5.243918544984609,7.382000880547758,1.6206521218757188,13.239196351139517,24.73973287212163,12.942958380290333,1.417347538252444,5.884073454713991,3.550940794047462,5.814423880297877,{"v":41.55717826399808,"d":"42"},null,0.13591663779548543,3.8509714042054206,13.510380300082616,3.7710204407963115,0.08538251366120218,7.456739526411657,10.314207650273223,2.9656193078324224,0.06866180509517947,2.255185150108912,5.794819585187991,3.0732076901221705,0.15355264994648923,2.480107952166023,2.14508398864641,3.9155925736354753,0.13189132155104194,4.796447727072892,8.225622087399982,3.5786511914182713,0.04592817980882395,3.019777822430175,1.7538823664494647,1.8399977035910096,null,null,"DPP-Cl, DIPEA_DMF",{"v":61.01175300019384,"d":"61"},{"$nulls":8},"DPP-Cl, DIPEA_DMF",{"v":53.216982800692854,"d":"53"}]
[{"$nulls":7},{"$f":"M5","v":{"v":83.89335818115298,"d":"84"}},null,"H",0.93216044728134,64.79726452679745,62.9154140307192,53.30198920872265,3.8010520328929687,61.4278571287949,71.64439500059768,62.957297723611916,1.4015303284606067,89.42809310990805,77.82519803760552,55.01021124067282,3.8466397619802595,76.1128195875319,69.25886505944203,48.1527877813525,4.324540928694982,96.67002552647298,92.36832365049769,79.94003716178493,2.2289965740340594,71.50962502270407,80.57743497241064,64.58832039984216,{"$f":"AM5","v":{"v":49.68952375876129,"d":"50"}},null,0.5196812621592091,76.77824267782427,65.91690429869679,68.40604429283373,0.9335154826958105,63.974271402550094,61.458333333333336,54.46835154826958,0.44275026044132965,67.07429680840988,71.05786532815607,45.19959276446633,0.43041273091061377,60.50439718952119,47.510585826625096,50.31175841049742,0.9452211377824673,74.50101116679856,41.63369383627891,76.26395849819748,0.49085742170680596,58.067571834543735,65.53664207595372,28.515658638803572,null,null,"HATU, NMI_DMAc",{"$f":"BR4","v":{"v":82.06501601684961,"d":"82"}},{"$nulls":8},"HATU, NMI_DMAc",{"$f":"CB4","v":{"v":47.969131620410614,"d":"48"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":79.62738049079462,"d":"80"}},null,"I",76.2107473896569,88.60514142201143,90.50845970344864,79.08465145985765,95.8540623869145,73.62511161031124,77.14081058154397,62.90674745717748,72.93394164096327,99.76022515505497,87.04722899497622,81.75851989451188,69.35273924281746,100,87.08531881895082,70.50282062945223,65.24889292754051,100,92.772376498703,79.90388566161782,72.49233548160814,96.16166550797618,91.30434101826972,71.60426185152477,{"$f":"AM6","v":{"v":84.6734003144738,"d":"85"}},null,65.44519361458306,59.89259920582043,94.05831090264638,67.48527569757215,100,77.01502732240438,43.4141621129326,40.78438069216758,45.062269154275974,73.20532247371911,57.061511506771474,55.77232692489819,67.80047461728165,92.2595505095156,44.75827090409939,67.8539853892327,24.980216301767342,91.46223511826256,80.17233799349336,71.69172601776137,12.116427935815368,100,70.06056778712289,41.67982317650774,null,null,"PyBOP, NMI_DMAc",{"v":76.03686644295257,"d":"76"},{"$nulls":8},"PyBOP, NMI_DMAc",{"$f":"CB5","v":{"v":57.74604985481417,"d":"58"}}]
[{"$nulls":7},{"v":2.0226437851083046,"d":"2"},null,"J",66.27564675000438,87.4820552281134,95.57099709274591,75.11533064281575,68.6455595873706,48.96194388860603,45.35794920478639,44.73292872091565,54.8390333436291,95.96526909806101,90.05881976969543,70.41367635334446,63.52382982097762,97.08050210438682,85.25953392838795,72.53635736076838,63.996149131410014,94.22765551007436,88.90032155498179,76.70336233591583,62.34438323218279,98.03396842098671,89.36809091649286,79.22437421318652,{"v":1.6549849425685579,"d":"2"},null,43.671881246169015,72.08512112570956,100,68.01694960424273,34.181466302367944,28.426684881602913,29.462659380692166,29.889571948998178,34.7547116204186,64.5077658869211,54.64769391040818,61.664220096600054,46.638127588292775,78.11874738262529,63.29859010748685,41.96407798613373,35.140244438582606,100,59.41264398135936,32.7090477446584,28.618997043373426,41.44444125498752,44.93785343169618,48.856101271636476,null,null,"BOP-Cl, NMI_DMAc",{"v":4.08145776557983,"d":"4"},{"$nulls":8},"BOP-Cl, NMI_DMAc",{"v":1.6547911477934225,"d":"2"}]
[{"$nulls":7},{"v":58.80188527942314,"d":"59"},null,"K",0.0869964213710034,12.047906755829064,20.57528165612159,10.385990085961852,1.0139751500437413,15.909922742660042,23.570436311613268,17.728620195807643,0.30119567663893243,4.0808604676817195,10.213555006827066,7.456429410258513,3.080411005181791,8.071367658747933,8.051913601541994,7.721329135385927,1.3378210882567674,16.948799226965424,36.59462323218866,20.678205416842527,1.3226929219668926,7.103192975204023,6.741246124650044,7.633403481082029,{"v":82.04967619859819,"d":"82"},null,0.007995096340910907,13.102630386696159,19.140260640140713,8.156330783785945,0.35860655737704916,25.62044626593807,16.387750455373407,13.074908925318761,0.017757363386684346,1.896486409697888,3.7621933895255233,4.08300975471162,0.03722488483551254,3.9458377925643293,3.866734912288865,3.648038713880229,0.03517101908027785,10.801899235030335,13.356194495735513,9.166446847797415,5.741022476102994E-3,2.2734449005367856,2.7355972098630765,3.292476390045067,null,null,"DPP-Cl, NMI_DMAc",{"v":78.09290936761029,"d":"78"},{"$nulls":8},"DPP-Cl, NMI_DMAc",{"v":64.8988831263181,"d":"65"}]
[{"$nulls":7},{"v":84.4967078118614,"d":"84"},null,"L",1.0638200010151684,58.22556176986933,55.876315706010615,39.99235471497735,2.5892343105732234,86.5661375321833,83.42280286353255,77.06362829200792,0.6358438444862152,49.070394068090806,44.00676460759656,30.463238226725757,3.8361095654686657,77.15108151214042,66.01855463474595,{"$f":"Z16","v":46.38140873571509},4.592521221202293,96.16816674018287,87.79637198280078,70.56595555250333,1.9986942497635647,78.19818154487889,81.93454338199834,45.86176045796459,{"v":68.4047117767769,"d":"68"},null,1.0753404578525172,85.31967060203075,60.148442288729576,30.955680515950217,1.747495446265938,50.0398451730419,75.4667577413479,50.25045537340619,0.19888246993086467,45.682593048584145,26.682214224831895,23.949947911734064,0.2000837559908799,52.72439625889908,44.22548973989112,{"$f":"AZ16","v":23.60290354101717},1.8596676338696914,65.45766288578211,83.75098918491163,37.215334564319,0.16936016304503831,38.06872003903895,30.189166690587594,32.54872692826592,null,null,"HATU, NMM_DMAc",{"v":81.77928654590168,"d":"82"},{"$nulls":8},"HATU, NMM_DMAc",{"v":48.83140117050678,"d":"49"}]
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[{"$nulls":7},3,null,"J",4,4,3,4,6,6,6,0,0,0,0,0,1,1,1,1,0,2,3,2,0,4,2,2,0,null,0,0,0,0,0,0,0,0,0,0,0.5747126436781609,0,0,0,0,0,0,0.2684563758389262,0,0,0,0,0.6239364719228587,0.5672149744753261,null,null,"MTBD, 0 eq TBAI_DMAc",{"v":1.5,"d":"2"},{"$nulls":8},"MTBD, 0 eq TBAI_DMAc",0]
[{"$nulls":7},31,null,"K",4,4,3,4,5,6,6,5,0,0,0,0,1,1,1,1,0,1,0,0,0,1,1,1,25,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.05672149744753262,0,0,0,null,null,"P2ET, 0 eq TBAI_DMAc",40,{"$nulls":8},"P2ET, 0 eq TBAI_DMAc",{"v":27.715220131579162,"d":"28"}]
[{"$nulls":7},3,null,"L",52,27,23,39,41,39,39,53,2,17,33,40,1,87,29,{"$f":"Z16","v":7},28,68,50,42,42,68,53,38,0,null,68.18181818181819,23.106060606060606,32.95454545454545,37.5,40.83989501312336,19.52755905511811,23.62204724409449,46.351706036745405,1.4367816091954022,5.459770114942529,14.511494252873563,26.149425287356323,0,59.94897959183673,8.418367346938776,{"$f":"AZ16","v":0},16.778523489932887,44.69798657718121,31.006711409395972,27.248322147651006,34.65683494044243,68.689733408962,47.41917186613727,40.045377197958025,null,null,"2,6-Lutidine, 0 eq TBAI_DMAc",{"v":1.6666666666666667,"d":"2"},{"$nulls":8},"2,6-Lutidine, 0 eq TBAI_DMAc",0]
[{"$nulls":7},3,null,"M",{"$f":"K17","v":4},4,4,3,6,6,6,5,0,0,0,0,1,1,1,1,0,0,0,0,0,1,0,0,0,null,{"$f":"AK17","v":0},0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"DIPEA, 0 eq TBAI_DMAc",{"v":1.6666666666666667,"d":"2"},{"$nulls":8},"DIPEA, 0 eq TBAI_DMAc",{"v":0.028360748723766305,"d":"0"}]
[{"$nulls":7},53,null,"N",4,4,4,4,6,6,6,6,0,0,0,0,1,1,1,1,0,0,0,0,0,1,0,0,{"v":56.06060606060606,"d":"56"},null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"KOtBu, 0 eq TBAI_DMAc",{"v":66.33333333333333,"d":"66"},{"$nulls":8},"KOtBu, 0 eq TBAI_DMAc",{"v":48.807170907837694,"d":"49"}]
[{"$nulls":7},16,null,"O",26,0,44,95,40,44,75,100,4,31,34,100,1,100,44,68,33,99,86,61,43,100,81,82,{"v":16.28787878787879,"d":"16"},null,37.5,58.71212121212121,66.28787878787878,90.53030303030303,21.46981627296588,31.181102362204726,84.88188976377953,100,5.028735632183908,19.82758620689655,50.86206896551724,75.14367816091954,0,100,32.39795918367347,29.336734693877553,26.845637583892618,96.91275167785236,79.59731543624162,28.187919463087248,51.21951219512195,71.75269427112876,100,47.022121384004535,null,null,"KOTMS, 0 eq TBAI_DMAc",7,{"$nulls":8},"KOTMS, 0 eq TBAI_DMAc",{"v":2.714646464646465,"d":"3"}]
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[{"$nulls":7},23,null,null,100,100,{"$nulls":22},{"v":32.95454545454545,"d":"33"},{"$nulls":27},"P2ET, 0.25 eq TBAI_DMAc",{"v":37.833333333333336,"d":"38"},{"$nulls":8},"P2ET, 0.25 eq TBAI_DMAc",{"v":26.32205626233092,"d":"26"}]
[{"$nulls":7},4,null,null,90,{"$nulls":23},0,{"$nulls":27},"2,6-Lutidine, 0.25 eq TBAI_DMAc",{"v":1.8333333333333333,"d":"2"},{"$nulls":8},"2,6-Lutidine, 0.25 eq TBAI_DMAc",0]
[{"$nulls":7},4,null,null,80,{"$nulls":23},0,{"$nulls":27},"DIPEA, 0.25 eq TBAI_DMAc",{"v":1.8333333333333333,"d":"2"},{"$nulls":8},"DIPEA, 0.25 eq TBAI_DMAc",0]
[{"$nulls":7},44,null,null,70,{"$nulls":23},{"v":66.28787878787878,"d":"66"},{"$nulls":27},"KOtBu, 0.25 eq TBAI_DMAc",{"v":60.666666666666664,"d":"61"},{"$nulls":8},"KOtBu, 0.25 eq TBAI_DMAc",{"v":69.00451868951511,"d":"69"}]
[{"$nulls":7},19,null,null,60,{"$nulls":23},{"v":19.696969696969695,"d":"20"},{"$nulls":27},"KOTMS, 0.25 eq TBAI_DMAc",{"v":10.5,"d":"11"},{"$nulls":8},"KOTMS, 0.25 eq TBAI_DMAc",{"v":4.8003592460288536,"d":"5"}]
[{"$nulls":7},{"$f":"N5","v":3},null,null,50,{"$nulls":23},{"$f":"AN5","v":0},{"$nulls":27},"DBU, 0 eq TBAI_NMP",{"$f":"BS4","v":{"v":1.5,"d":"2"}},{"$nulls":8},"DBU, 0 eq TBAI_NMP",{"$f":"CC4","v":0}]
[{"$nulls":7},{"$f":"N6","v":4},null,null,40,{"$nulls":23},{"$f":"AN6","v":0},{"$nulls":27},"BTMG, 0 eq TBAI_NMP",{"v":2.6666666666666665,"d":"3"},{"$nulls":8},"BTMG, 0 eq TBAI_NMP",{"$f":"CC5","v":0}]
[{"$nulls":7},3,null,null,30,{"$nulls":23},0,{"$nulls":27},"MTBD, 0 eq TBAI_NMP",{"v":1.6666666666666667,"d":"2"},{"$nulls":8},"MTBD, 0 eq TBAI_NMP",0]
[{"$nulls":7},48,null,null,20,{"$nulls":23},{"v":57.196969696969695,"d":"57"},{"$nulls":27},"P2ET, 0 eq TBAI_NMP",{"v":40.833333333333336,"d":"41"},{"$nulls":8},"P2ET, 0 eq TBAI_NMP",{"v":33.21561896330102,"d":"33"}]
[{"$nulls":7},3,null,null,10,{"$nulls":23},0,{"$nulls":27},"2,6-Lutidine, 0 eq TBAI_NMP",{"v":1.5,"d":"2"},{"$nulls":8},"2,6-Lutidine, 0 eq TBAI_NMP",0]
[{"$nulls":7},4,null,null,0,0,{"$nulls":22},{"v":2.272727272727273,"d":"2"},{"$nulls":27},"DIPEA, 0 eq TBAI_NMP",{"v":1.6666666666666667,"d":"2"},{"$nulls":8},"DIPEA, 0 eq TBAI_NMP",{"v":0.37878787878787884,"d":"0"}]
[{"$nulls":7},100,{"$nulls":26},100,{"$nulls":27},"KOtBu, 0 eq TBAI_NMP",{"v":71.66666666666667,"d":"72"},{"$nulls":8},"KOtBu, 0 eq TBAI_NMP",{"v":58.0788855174124,"d":"58"}]
[{"$nulls":7},27,{"$nulls":26},{"v":32.196969696969695,"d":"32"},{"$nulls":27},"KOTMS, 0 eq TBAI_NMP",{"v":12.166666666666666,"d":"12"},{"$nulls":8},"KOTMS, 0 eq TBAI_NMP",{"v":9.064189579278581,"d":"9"}]
[{"$nulls":7},4,{"$nulls":26},0,{"$nulls":27},"DBU, 0.25 eq TBAI_NMP",{"v":1.8333333333333333,"d":"2"},{"$nulls":8},"DBU, 0.25 eq TBAI_NMP",0]
[{"$nulls":7},4,{"$nulls":26},0,{"$nulls":27},"BTMG, 0.25 eq TBAI_NMP",{"v":1.5,"d":"2"},{"$nulls":8},"BTMG, 0.25 eq TBAI_NMP",{"v":0.09453582907922102,"d":"0"}]
[{"$nulls":7},4,{"$nulls":26},0,{"$nulls":27},"MTBD, 0.25 eq TBAI_NMP",{"v":1.8333333333333333,"d":"2"},{"$nulls":8},"MTBD, 0.25 eq TBAI_NMP",0]
[{"$nulls":7},39,{"$nulls":26},{"v":37.5,"d":"38"},{"$nulls":27},"P2ET, 0.25 eq TBAI_NMP",{"v":36.5,"d":"37"},{"$nulls":8},"P2ET, 0.25 eq TBAI_NMP",{"v":29.549138444951794,"d":"30"}]
[{"$nulls":7},3,{"$nulls":26},0,{"$nulls":27},"2,6-Lutidine, 0.25 eq TBAI_NMP",{"v":1.5,"d":"2"},{"$nulls":8},"2,6-Lutidine, 0.25 eq TBAI_NMP",0]
[{"$nulls":7},4,{"$nulls":26},0,{"$nulls":27},"DIPEA, 0.25 eq TBAI_NMP",{"v":1.8333333333333333,"d":"2"},{"$nulls":8},"DIPEA, 0.25 eq TBAI_NMP",0]
[{"$nulls":7},95,{"$nulls":26},{"v":90.53030303030303,"d":"91"},{"$nulls":27},"KOtBu, 0.25 eq TBAI_NMP",{"v":84.33333333333333,"d":"84"},{"$nulls":8},"KOtBu, 0.25 eq TBAI_NMP",{"v":61.70345945536531,"d":"62"}]
[{"$nulls":7},27,{"$nulls":26},{"v":6.818181818181818,"d":"7"},{"$nulls":27},"KOTMS, 0.25 eq TBAI_NMP",{"v":12.333333333333334,"d":"12"},{"$nulls":8},"KOTMS, 0.25 eq TBAI_NMP",{"v":2.44183364439601,"d":"2"}]
[{"$nulls":7},{"$f":"O5","v":6},{"$nulls":26},{"$f":"AO5","v":0}]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},55,{"$nulls":26},{"v":40.31496062992126,"d":"40"}]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},44,{"$nulls":26},{"v":16.587926509186353,"d":"17"}]
[{"$nulls":7},5,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},5,{"$nulls":26},0]
[{"$nulls":7},41,{"$nulls":26},{"v":40.83989501312336,"d":"41"}]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},40,{"$nulls":26},{"v":21.46981627296588,"d":"21"}]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},{"$f":"P5","v":6},{"$nulls":26},{"$f":"AP5","v":0}]
[{"$nulls":7},7,{"$nulls":26},0]
[{"$nulls":7},5,{"$nulls":26},0]
[{"$nulls":7},31,{"$nulls":26},{"v":21.10236220472441,"d":"21"}]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},41,{"$nulls":26},{"v":28.293963254593177,"d":"28"}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},{"$f":"P14","v":6},{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},39,{"$nulls":26},{"v":19.52755905511811,"d":"20"}]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},44,{"$nulls":26},{"v":31.181102362204726,"d":"31"}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},{"$f":"Q5","v":6},{"$nulls":26},{"$f":"AQ5","v":0}]
[{"$nulls":7},6,{"$nulls":26},0]
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[{"$nulls":7},46,{"$nulls":26},{"v":27.559055118110237,"d":"28"}]
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[{"$nulls":7},5,{"$nulls":26},0]
[{"$nulls":7},84,{"$nulls":26},{"v":73.33333333333333,"d":"73"}]
[{"$nulls":7},3,{"$nulls":26},0]
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[{"$nulls":7},39,{"$nulls":26},{"v":23.62204724409449,"d":"24"}]
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[{"$nulls":7},6,{"$nulls":26},0]
[{"$nulls":7},75,{"$nulls":26},{"v":84.88188976377953,"d":"85"}]
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[{"$nulls":7},{"$f":"R5","v":5},{"$nulls":26},{"$f":"AR5","v":0}]
[{"$nulls":7},5,{"$nulls":26},0]
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[{"$nulls":7},59,{"$nulls":26},{"v":61.25984251968504,"d":"61"}]
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[{"$nulls":7},5,{"$nulls":26},0]
[{"$nulls":7},86,{"$nulls":26},{"v":67.66404199475066,"d":"68"}]
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[{"$nulls":7},53,{"$nulls":26},{"v":46.351706036745405,"d":"46"}]
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[{"$nulls":7},100,{"$nulls":26},100]
[{"$nulls":7},4,{"$nulls":26},0]
[{"$nulls":7},{"$f":"S5","v":0},{"$nulls":26},{"$f":"AS5","v":0}]
[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},{"$f":"U5","v":0},{"$nulls":26},{"$f":"AU5","v":0}]
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[{"$nulls":7},{"$f":"W5","v":2},{"$nulls":26},{"$f":"AW5","v":0}]
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["Data associated with Extended Data Fig 5i,j"]
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{"sheet":"20","index":20,"n_rows":387,"n_cols":81,"rows_kept":387,"merged":[[0,0,0,5],[0,6,1,59],[0,62,1,80]]}
["Data associated with Extended Data Fig 6a",{"$nulls":5},"Clarithromycin derivative\n5 C-N coupling: 384 Data points",{"$nulls":55},"Clarithromycin derivative\n5 C-N coupling:  64 conditions"]
[]
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{"sheet":"21","index":21,"n_rows":387,"n_cols":81,"rows_kept":387,"merged":[[0,0,0,5],[0,6,1,59],[0,62,1,80]]}
["Data associated with Extended Data Fig 6b",{"$nulls":5},"Clarithromycin derivative\n5 C-C coupling: 384 Data points",{"$nulls":55},"Clarithromycin derivative\n5 C-C coupling:  64 conditions"]
[]
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[{"$nulls":7},{"v":71.1695824162065,"d":"71"},null,"F",4.593776798663137,46.34298777876268,67.48039536547702,74.94068955248441,16.07851961694328,59.362762212422886,54.6184771381681,60.78215069873888,0.7925109080718773,1.9872370813228226,4.7871743086743495,6.623022766443017,6.68449892303736,73.5794257616797,39.00296718355804,65.87047188424003,25.358684527384245,62.627336793520726,55.36117962831907,65.90336815778014,5.278251353612431,57.70870073901245,65.74605724641206,66.83408006457172,{"v":24.262483810620232,"d":"24"},null,1.201611742696791,15.433875377752194,39.92660814505684,49.97121888041445,8.373333333333333,39.04,15.893333333333333,51.78666666666667,0.6277160791887977,0.38628681796233705,5.3114437469821345,5.3597295992274265,7.244467860906217,25.89567966280295,22.391991570073763,55.25114155251141,7.0615537628467235,69.8198695988507,18.245109956901317,47.09912697535639,2.487466255302738,19.18627072888546,23.54415734670266,37.11916698804474,null,null,"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":73.76379643858981,"d":"74"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":37.42968613774796,"d":"37"}]
[{"$nulls":7},{"v":45.30514075372228,"d":"45"},null,"G",49.953707476669706,70.509827390859,78.2436998012513,100,23.379436093647147,69.83232304946623,85.42468472233334,100,3.465239139332884,22.72748028569838,77.85855240542101,28.36963153969739,18.204155618929256,84.74015479879601,79.26727471640355,77.27411675220534,52.273586726305695,66.14468741216497,78.56015650221028,99.43378849156458,10.934450821269094,95.88789978586207,96.61368324078676,71.96200769431502,{"v":17.498920708015543,"d":"17"},null,21.29802849330839,23.082457907612607,42.006044035112964,100,11.893333333333333,87.68,43.46666666666667,88.05333333333333,3.0420086914534044,15.789473684210526,70.83534524384355,19.26605504587156,6.067790656831753,28.749560941341763,29.46961714085002,51.475237091675446,42.49088297049398,51.994695546469224,82.44004862415737,68.20643164990607,2.5838796760509064,26.57153875819514,75.60740455071345,19.76475125337447,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":59.03297282533396,"d":"59"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":28.75580222612822,"d":"29"}]
[{"$nulls":7},{"$f":"M5","v":{"v":10.807910947380131,"d":"11"}},null,"H",20.093102973489668,48.51019362823945,71.48156945703765,93.43707318042986,22.098227820188978,71.06382974114024,81.78067863235852,84.99960533866097,3.7626937933997078,10.686207109356154,40.13238885938706,27.23687638210562,10.125516090509299,89.48076169811227,92.1144681026574,85.69809956510855,46.60291271066374,66.11109458775664,80.68366411666442,100,5.6001391641862,82.73746463998076,90.26109780224591,61.78579673246296,{"$f":"AM5","v":{"v":2.9212836379335156,"d":"3"}},null,11.188660238883292,26.903151532594617,52.64066772197438,70.70082026190819,13.706666666666667,26.933333333333334,36.42666666666667,25.386666666666667,3.331723804925157,5.408015451472719,44.13326895219701,17.527764365041044,3.3280646294344924,19.713733754829644,22.11099402880225,52.397260273972606,25.859210962537297,44.97734556304564,61.984749696099016,75.25693446789701,3.0466640956421136,37.71693019668338,35.49942151947551,18.376397994600847,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":{"v":4.134923312827982,"d":"4"}},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":2.107678650628433,"d":"2"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":39.066811757243585,"d":"39"}},null,"I",9.354428065001425,70.64958286459137,72.66837230580441,91.81172031528224,33.433378920405055,71.74331299833804,84.38953464949495,87.42472656735066,3.523038464937505,7.1287402036381975,93.46278571633233,19.63143127255281,22.93648414361203,89.5573861025436,81.6383162970523,68.45765254182386,48.29358992111269,67.90702126792081,80.87171352941675,94.61091997638758,17.576007286805684,95.52120623892124,88.5934782621677,66.6099300275799,{"$f":"AM6","v":{"v":9.296301626133257,"d":"9"}},null,3.072384515757663,28.996977982443518,40.214419340912364,35.99798532162901,24.48,43.2,21.92,100,1.0140028971511348,8.739739256397876,54.32158377595365,18.058908739739255,17.94871794871795,38.96206533192834,81.28731998595012,52.9504741833509,12.310752569344679,42.39142446679191,34.810476295723284,71.3117471543817,3.895102198225993,100,30.6209024296182,33.35904357886618,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":8.982045982345975,"d":"9"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":3.8836560183415654,"d":"4"}}]
[{"$nulls":7},{"v":9.392992886543187,"d":"9"},null,"J",18.885997257661195,45.574917180987384,63.614170400211,69.1808738471274,28.269986251387117,63.04865748111043,52.00080383761637,43.91014223314692,1.286978824024925,1.0615324816283889,3.1343140934585128,3.493099878898344,14.397688604428966,73.37033831708155,29.387513302251207,47.52856456371091,34.796362647230474,66.30874622734065,51.559049034772386,70.57334573701065,16.58440210359468,53.82585261516413,54.841288997487545,42.63727061234829,{"v":4.964743128507699,"d":"5"},null,9.03727154986329,51.158440063318466,54.633760253273856,27.277306087206792,9.173333333333334,21.333333333333332,41.70666666666666,28.266666666666666,0.28971511347175277,2.1245774987928536,1.2554321583775954,2.4625784645098987,8.482613277133826,45.38110291534949,13.812785388127853,27.04601334738321,17.670460824400486,43.7396397391977,40.667477069289426,21.781412310752568,3.2394909371384495,17.16158889317393,26.263015811801004,24.103355187042037,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":2.037921492890996,"d":"2"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":3.213208060733131,"d":"3"}]
[{"$nulls":7},{"v":47.36439582993608,"d":"47"},null,"K",15.549909402990346,44.620507812789164,77.55859614080215,96.47600165902402,43.51675824201233,67.90414098107934,80.40812040306301,79.58940955772358,3.5643785447367633,6.908662668148259,32.810184974194534,8.554339293523666,35.666960614089206,83.74621411672618,56.933303719978674,29.55120374351694,49.7847099530844,64.07098774490156,77.10759270898558,93.4266058878599,21.55768088600873,91.95406066521156,69.84104124676203,64.65098170318032,{"v":66.45560512303929,"d":"66"},null,7.022593178874658,18.873219168225646,52.986041157001004,38.358037127644266,18.666666666666668,29.44,37.333333333333336,21.92,2.4625784645098987,5.0217286335103815,46.0164171897634,5.552873008208595,8.429926238145416,26.33473832103969,25.228310502283104,10.590094836670179,53.19924853574981,44.678970051939444,33.594872361586916,52.88982207978782,5.669109139992287,65.52256074045508,25.491708445815657,20.998843038951023,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":13.793752050934067,"d":"14"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":15.88644373019177,"d":"16"}]
[{"$nulls":7},{"v":77.65371413899213,"d":"78"},null,"L",22.81757389520188,19.832521650961564,69.74496096830829,88.35761282431498,27.73509577680371,65.69618139386718,73.13591384105938,56.072184038019,4.925610607802621,4.18737077447968,15.150086992268704,10.99178651640098,26.05951824950538,80.70461187811095,69.94977648690023,{"$f":"Z16","v":28.282130796791435},47.29685740898789,61.26479691013709,76.08484083774852,98.81093900341324,21.057246893643487,53.259543961833245,65.52858880602443,0.8237588020933623,{"v":62.455029500647576,"d":"62"},null,10.38278889048784,5.662685278457332,24.816520362642105,41.818966757806876,6.08,22.986666666666668,26.186666666666667,40.42666666666667,1.9797199420569773,2.7040077257363593,8.063737324963785,6.373732496378561,9.685634000702494,52.766069546891465,100,{"$f":"AZ16","v":10.79206181945908},22.78704829262902,33.24124212620179,34.014808266106755,49.96132169300475,10.065561126108754,16.718087157732356,32.08638642499036,0,null,null,"RuPhos G4, BTMG_DMSO-tAmOH",{"v":87.23012042578557,"d":"87"},{"$nulls":8},"RuPhos G4, BTMG_DMSO-tAmOH",{"v":61.30898112911958,"d":"61"}]
[{"$nulls":7},{"v":67.48039536547702,"d":"67"},null,"M",{"$f":"K17","v":14.502965071875883},65.3944009842471,52.70935502162505,24.743936831877456,6.422876029370136,70.02422019931309,10.66732728800318,1.6662049299812958,0.9317772793158188,18.675029112957564,10.008029303571982,1.3939754752260622,5.859131779949249,87.40460338539565,14.089795636442975,1.2304345848414848,28.02129120232484,68.2325340472473,23.23387692981017,6.2077703142551615,2.6241171259870515,100,18.102601983614882,0.03656642754285877,{"v":39.92660814505684,"d":"40"},null,{"$f":"AK17","v":3.079579795654051},43.056554899985606,28.38537919125054,17.556482947186645,5.013333333333334,40.053333333333335,9.653333333333334,11.466666666666667,0.04828585224529213,9.270883631096089,10.043457267020763,1.6417189763399325,1.6772040744643484,51.67720407446435,2.9416930101861607,0.9220231822971549,9.437506906840534,24.212620179025308,28.23516410653111,3.0721626699082774,0.5013497878904744,44.71654454300039,7.443116081758581,0,null,null,"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":47.832708478434775,"d":"48"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":20.88544068317501,"d":"21"}]
[{"$nulls":7},{"v":78.2436998012513,"d":"78"},null,"N",11.800880399468621,65.19777271159272,47.34420260566602,14.61139570155418,6.339995898321741,66.16559799808505,3.0903603486748144,0.5808266713974367,2.44273426679179,5.399044994032368,4.236167283669165,2.6346488951366878,5.234768950325264,70.01609042637597,4.353990345181311,0.8106608096900199,17.913271350400798,64.95450354531002,8.454383651412284,2.9800485287638008,4.863262306942647,71.86884417541383,6.474171747686141,0.018786933984380846,{"v":42.006044035112964,"d":"42"},null,5.02950064757519,32.076557778097566,22.413296877248523,9.677651460641819,1.3333333333333333,52.8,4.426666666666667,8.266666666666667,0.724287783679382,1.9797199420569773,1.3037180106228874,0.9174311926605505,1.4401123990165086,24.315068493150687,2.8626624517035477,0.8166491043203372,5.403912034478948,43.01027737871588,3.469996684716543,1.3261133826942204,0.8098727342846124,22.232934824527575,3.895102198225993,0,null,null,"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":82.6613418980677,"d":"83"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":57.30418771022401,"d":"57"}]
[{"$nulls":7},{"v":71.48156945703765,"d":"71"},null,"O",10.741791944765751,71.1695824162065,56.79515118290063,27.992122977588583,27.7450070966133,70.11872727921589,11.034356084049291,2.16008112167377,3.7679755049451322,43.83264949847647,48.87508875728286,2.433144889780998,14.61632941145513,91.12888268648342,6.076033236263225,2.66149606263717,26.57422547104199,67.70082125448765,16.801160372811523,8.338179184552104,29.583454717918958,98.63211549666886,21.549233539773436,0.0227094665285752,{"v":52.64066772197438,"d":"53"},null,4.569002734206361,24.262483810620232,21.54986328968197,17.225500071952798,3.52,0,4.32,8.48,0.6277160791887977,30.226943505552875,50.072428778367936,2.26943505552873,3.942746750965929,26.22058306989814,2.0899192132068842,1.097646645591851,7.359929273952923,100,7.282572659962427,4.122002431207869,9.236405707674509,43.868106440416504,8.600077130736599,0,null,null,"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":76.07564449505848,"d":"76"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":42.13262809753581,"d":"42"}]
[{"$nulls":7},{"v":72.66837230580441,"d":"73"},null,"P",20.392493783418683,45.30514075372228,16.670282086960864,7.628069654475039,11.220513084071179,60.07735128939522,2.8360314662198265,1.4447296354853214,6.1664511086101905,16.812876078658274,1.16220494313455,0.34797174100356465,7.1612953588529535,79.95268418275421,0.33258486306447654,0.7952137068756423,40.93766994570995,80.0661770194893,16.97470811932033,12.919755390448946,9.808224886181224,71.98360762798447,5.8953012304340575,0.01571388753545071,{"v":40.214419340912364,"d":"40"},null,9.915095697222622,17.498920708015543,3.7199597064325802,5.28133544394877,3.8933333333333335,28.96,3.04,8.266666666666667,3.5248672139063255,10.719459198454853,0.09657170449058426,0.38628681796233705,1.835265191429575,51.71232876712329,0.16684229012996135,0.3424657534246575,24.698861752679854,43.47441706265886,6.752127306884739,6.033815891258703,3.586579251831855,20.169687620516775,2.911685306594678,0,null,null,"RuPhos G4, MTBD_DMSO-tAmOH",{"v":83.60403346004475,"d":"84"},{"$nulls":8},"RuPhos G4, MTBD_DMSO-tAmOH",{"v":43.862450304692935,"d":"44"}]
[{"$nulls":7},{"v":63.614170400211,"d":"64"},{"$nulls":26},{"v":54.633760253273856,"d":"55"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":42.42285661096617,"d":"42"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":29.723189557922733,"d":"30"}]
[{"$nulls":7},{"v":77.55859614080215,"d":"78"},null,null,"scale",{"$nulls":23},{"v":52.986041157001004,"d":"53"},{"$nulls":27},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":65.77647319896433,"d":"66"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":36.77511383163057,"d":"37"}]
[{"$nulls":7},{"v":69.74496096830829,"d":"70"},null,null,100,100,{"$nulls":22},{"v":24.816520362642105,"d":"25"},{"$nulls":27},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":61.59902798871826,"d":"62"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":37.52801984089494,"d":"38"}]
[{"$nulls":7},{"v":52.70935502162505,"d":"53"},null,null,90,{"$nulls":23},{"v":28.38537919125054,"d":"28"},{"$nulls":27},"RuPhos G4, Cs2CO3_DMSO-tAmOH",{"v":21.468497693844707,"d":"21"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMSO-tAmOH",{"v":14.450357165013415,"d":"14"}]
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[{"$nulls":7},47,null,"B",{"$f":"K6","v":73},50,55,33,78,75,34,26,83,64,38,23,70,93,29,26,72,79,36,23,70,81,27,33,{"v":26.105851311500853,"d":"26"},null,{"$f":"AK6","v":43.78395157535309},43.70634797454602,40.16762377774329,11.56293652025454,61.28064032016008,39.81990995497749,34.53393363348341,14.974153743538436,36.88371125442064,35.552319534012895,49.86478052839609,10.817557728312877,39.35446519033145,71.993052540165,11.101461861340281,7.511940946591403,29.6028880866426,56.37785800240674,23.11472121941436,11.732851985559567,43.77235772357724,61.46341463414634,34.666666666666664,27.15447154471545,null,null,"BOP-Cl, 2,6-Lutidine_DMF",{"v":57.5,"d":"58"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_DMF",{"v":30.180191893905597,"d":"30"}]
[{"$nulls":7},44,null,"C",80,47,71,34,80,68,40,17,87,70,50,21,70,74,42,24,74,81,49,23,68,71,52,25,{"v":27.19230172279994,"d":"27"},null,64.89213099487816,25.53158466552848,30.42061151637436,8.36566816700295,56.82841420710355,39.036184759046186,31.332332833083207,6.103051525762881,46.72352818805908,58.248387767838565,30.64281256500936,15.41501976284585,46.924301635547835,44.101896077579966,29.135909683022145,9.56723114777826,53.7204171680706,34.28600080224629,27.146008824709185,4.492579221821099,73.82113821138212,51.80487804878049,55.02439024390244,18.048780487804876,null,null,"DPP-Cl, 2,6-Lutidine_DMF",{"v":55.666666666666664,"d":"56"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_DMF",{"v":38.434234433729266,"d":"38"}]
[{"$nulls":7},45,null,"D",84,50,66,33,91,65,53,26,97,56,59,27,77,81,46,29,79,70,49,25,75,69,51,32,{"v":26.788762998603136,"d":"27"},null,100,30.668943038957007,48.222877541517924,16.234673288840604,94.18042354510588,42.487910621977655,40.18676004669001,10.321827580456896,60.07905138339921,65.34220927813605,57.87393384647389,18.202621177449554,25.141120277898395,55.36257056013895,17.773918077869446,47.445361123172674,38.9189731247493,47.01163257119936,25.732049739269957,9.446450060168472,91.44715447154472,77.6910569105691,59.642276422764226,32.22764227642276,null,null,"HATU, DIPEA_DMF",{"v":59.833333333333336,"d":"60"},{"$nulls":8},"HATU, DIPEA_DMF",{"v":35.92112401352828,"d":"36"}]
[{"$nulls":7},35,null,"E",83,43,1,2,89,67,1,2,85,62,1,2,72,65,0,1,76,78,0,1,69,51,0,1,{"v":26.028247710693776,"d":"26"},null,60.25143566661493,18.99736147757256,0,0,54.3938635984659,31.065532766383193,0.33350008337502085,0.01667500416875104,57.41626794258373,35.96837944664031,0.02080299563137092,0,24.055579678679983,16.587060356057318,0,0.17368649587494572,51.02286401925391,40.0220617729643,0.10028078620136383,0,70.86178861788618,29.88617886178862,0.06504065040650407,0,null,null,"PyBOP, DIPEA_DMF",{"v":39.166666666666664,"d":"39"},{"$nulls":8},"PyBOP, DIPEA_DMF",{"v":37.7629370387286,"d":"38"}]
[{"$nulls":7},35,null,"F",87,43,54,52,83,91,29,25,78,63,35,23,71,72,27,32,76,100,23,25,70,68,35,38,{"v":21.216824460654973,"d":"21"},null,48.222877541517924,30.265404314760204,21.775570386465933,19.323296600962284,100,87.27697181924296,32.266133066533264,14.223778555944639,36.44684834616185,69.73164135635531,29.10339088828791,14.29165799875182,18.830510927775364,17.88970907511941,14.777826024026632,13.47517730496454,39.8014440433213,100,28.981147212194145,11.522262334536702,60.390243902439025,65.6910569105691,48.357723577235774,34.08130081300813,null,null,"BOP-Cl, DIPEA_DMF",39,{"$nulls":8},"BOP-Cl, DIPEA_DMF",{"v":27.024133231645223,"d":"27"}]
[{"$nulls":7},48,null,"G",89,48,50,39,89,81,17,15,91,61,41,14,72,73,26,23,77,0,37,15,71,67,26,29,{"v":37.87055719385379,"d":"38"},null,81.1578457240416,37.45149774949558,23.110352320347666,15.07061927673444,97.83224945806236,51.74253793563448,12.65632816408204,6.9868267467066865,85.56272103182859,78.17765758269191,29.519450800915333,9.923028916163927,34.5636126791142,13.865971920683167,25.24243740049211,6.093501230279346,64.3602085840353,13.768551945447252,26.13317288407541,4.442438828720417,65.04065040650407,83.67479674796748,68.42276422764228,22.504065040650406,null,null,"DPP-Cl, DIPEA_DMF",{"v":54.166666666666664,"d":"54"},{"$nulls":8},"DPP-Cl, DIPEA_DMF",{"v":36.345815346344075,"d":"36"}]
[{"$nulls":7},{"$f":"M5","v":0},null,"H",91,59,61,40,91,81,43,15,96,67,47,15,76,72,36,22,76,58,43,19,74,65,43,33,{"$f":"AM5","v":0},null,52.227223343163125,35.85286357286978,31.165606084122302,12.959801334781934,70.85209271302318,45.75621143905286,24.16208104052026,11.35567783891946,75.66049511129603,69.21156646557104,33.97129186602871,10.963178697732474,21.69633810971197,34.447821681864234,17.1225937183384,4.4579533941236065,52.807862013638186,15.734055354993982,33.90493381468111,8.78459687123947,53.853658536585364,67.64227642276423,60.68292682926829,22.211382113821138,null,null,"HATU, NMI_DMAc",{"$f":"BR4","v":{"v":0.16666666666666666,"d":"0"}},{"$nulls":8},"HATU, NMI_DMAc",{"$f":"CB4","v":{"v":0.06187067913381091,"d":"0"}}]
[{"$nulls":7},{"$f":"M6","v":55},null,"I",91,42,0,1,86,63,1,2,89,53,0,2,70,69,0,1,72,59,0,1,73,40,0,1,{"$f":"AM6","v":{"v":40.16762377774329,"d":"40"}},null,48.735061306844635,22.56712711469812,0,0.09312432096849294,84.42554610638652,35.71785892946473,0.3668500917125229,0,56.126482213438734,49.15747867692948,0,0,12.158054711246201,19.438413663337677,0,0,49.48856799037304,32.0296831127156,0,0,77.4959349593496,36.68292682926829,0.13008130081300814,0,null,null,"PyBOP, NMI_DMAc",{"v":36.5,"d":"37"},{"$nulls":8},"PyBOP, NMI_DMAc",{"$f":"CB5","v":{"v":32.24153128117401,"d":"32"}}]
[{"$nulls":7},71,null,"J",85,45,32,8,78,68,20,5,88,57,31,4,67,70,24,8,69,67,22,5,66,72,18,13,{"v":30.42061151637436,"d":"30"},null,59.925500543225205,23.001707279217754,15.287909358994257,2.5143566661493093,48.95781223945306,52.042688010672,11.222277805569451,2.384525596131399,60.619929269814854,48.07572290409819,14.853338880798836,1.5602246723528188,24.764799536836012,21.045013750180924,6.267187726154291,5.051382255029671,37.27436823104693,32.48094665062174,19.153630164460488,1.784997994384276,73.17073170731707,56.65040650406504,17.691056910569106,8.455284552845528,null,null,"BOP-Cl, NMI_DMAc",{"v":50.666666666666664,"d":"51"},{"$nulls":8},"BOP-Cl, NMI_DMAc",{"v":33.95034427768345,"d":"34"}]
[{"$nulls":7},66,null,"K",91,47,41,4,80,70,25,4,90,59,27,2,69,53,13,4,72,68,14,3,68,48,14,5,{"v":48.222877541517924,"d":"48"},null,41.64209219307776,26.105851311500853,16.948626416265714,0.9002017693620984,68.7677171919293,43.63848590962148,11.822577955644489,2.6179756544939137,90.28500104014978,36.71728728936967,14.29165799875182,1.4146037029332224,28.12273845708496,13.31596468374584,6.035605731654364,0.303951367781155,39.640994785399116,25.401123144805457,12.314480545527477,0.9526674689129563,70.2439024390244,35.90243902439025,20.227642276422763,3.83739837398374,null,null,"DPP-Cl, NMI_DMAc",54,{"$nulls":8},"DPP-Cl, NMI_DMAc",{"v":41.57196927909758,"d":"42"}]
[{"$nulls":7},1,null,"L",100,44,43,10,84,69,31,7,97,56,41,7,75,71,31,{"$f":"Z16","v":12},73,47,20,4,73,47,21,12,0,null,40.91261834549123,27.19230172279994,24.615862176004967,4.857985410523049,49.79156244789061,45.6394864098716,21.31065532766383,3.3183258295814575,100,49.49032660703141,30.975660495111295,3.536509257333056,22.955565204805325,15.718627876682588,12.12910696193371,{"$f":"AZ16","v":2.750036184686641},36.83313277176093,43.36141195346971,18.62214199759326,1.263537906137184,100,49.203252032520325,16.910569105691057,11.024390243902438,null,null,"HATU, NMM_DMAc",{"v":0.5,"d":"1"},{"$nulls":8},"HATU, NMM_DMAc",{"v":0.08660408593570995,"d":"0"}]
[{"$nulls":7},54,null,"M",{"$f":"K17","v":98},45,0,2,86,68,1,2,97,57,0,3,83,71,0,2,71,64,0,1,73,54,0,1,{"v":21.775570386465933,"d":"22"},null,{"$f":"AK17","v":67.1426354182834},26.788762998603136,0,0,65.43271635817909,25.479406369851592,0.8337502084375521,0,93.57187434990638,48.90784272935303,0.062408986894112756,0.062408986894112756,27.23983210305399,31.23462150817774,0.07236937328122739,0.10131712259371833,29.091456077015643,31.799037304452465,0.09025270758122744,0.010028078620136383,85.39837398373983,51.31707317073171,0.16260162601626016,0.1951219512195122,null,null,"PyBOP, NMM_DMAc",{"v":33.833333333333336,"d":"34"},{"$nulls":8},"PyBOP, NMM_DMAc",{"v":29.21029852579061,"d":"29"}]
[{"$nulls":7},50,null,"N",93,35,50,19,77,49,19,24,90,45,23,8,68,56,18,23,69,50,17,22,68,0,21,29,{"v":23.110352320347666,"d":"23"},null,36.00807077448393,26.028247710693776,40.478038180971595,8.36566816700295,51.292312823078205,38.3191595797899,27.613806903451724,14.70735367683842,57.39546494695236,47.47243603078844,34.9074266694404,6.282504680674017,30.481980026052973,32.73990447242727,9.958025763496888,5.818497611810682,32.70156438026474,24.879663056558364,19.965904532691535,9.83754512635379,19.252032520325205,57.13821138211382,33.65853658536585,26.634146341463413,null,null,"BOP-Cl, NMM_DMAc",{"v":32.833333333333336,"d":"33"},{"$nulls":8},"BOP-Cl, NMM_DMAc",{"v":30.8474176329258,"d":"31"}]
[{"$nulls":7},61,null,"O",93,35,36,2,78,52,2,1,92,45,3,1,68,54,9,5,68,48,13,1,68,0,21,10,{"v":31.165606084122302,"d":"31"},null,67.68586062393295,21.216824460654973,20.658078534844016,0.37249728387397174,37.5687843921961,45.08921127230282,1.534100383525096,0.5502751375687844,53.98377366340753,40.274599542334094,2.8708133971291865,1.7058456417724153,23.925314806773773,17.788391952525693,4.617166015342307,2.0552902011868577,32.922182109907745,37.77577216205375,13.557962294424389,0.31087043722422786,51.577235772357724,0,23.284552845528456,6.1138211382113825,null,null,"DPP-Cl, NMM_DMAc",{"v":45.5,"d":"46"},{"$nulls":8},"DPP-Cl, NMM_DMAc",{"v":33.50157222549318,"d":"34"}]
[{"$nulls":7},0,null,"P",91,48,47,1,88,70,33,0,100,66,55,1,79,74,20,2,80,67,24,0,77,0,0,1,0,null,52.0099332609033,37.87055719385379,20.021729008225982,0.37249728387397174,79.2229448057362,15.090878772719693,35.75120893780223,0.18342504585626146,76.36779696276264,53.796546702725195,40.024963594757644,0.6240898689411275,42.30713562020553,30.192502532928064,7.511940946591403,0.4486901143436098,51.35379061371841,22.39269955876454,11.903329322101886,0,57.36585365853659,58.73170731707317,19.577235772357724,0.8455284552845529,null,null,"HATU, 2,6-Lutidine_DMAc",{"v":0.16666666666666666,"d":"0"},{"$nulls":8},"HATU, 2,6-Lutidine_DMAc",{"v":0.08282189875425518,"d":"0"}]
[{"$nulls":7},32,{"$nulls":26},{"v":15.287909358994257,"d":"15"},{"$nulls":27},"PyBOP, 2,6-Lutidine_DMAc",{"v":24.5,"d":"25"},{"$nulls":8},"PyBOP, 2,6-Lutidine_DMAc",{"v":14.079233474424404,"d":"14"}]
[{"$nulls":7},41,null,null,"scale",{"$nulls":23},{"v":16.948626416265714,"d":"17"},{"$nulls":27},"BOP-Cl, 2,6-Lutidine_DMAc",{"v":22.333333333333332,"d":"22"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_DMAc",{"v":13.606765154044439,"d":"14"}]
[{"$nulls":7},43,null,null,100,100,{"$nulls":22},{"v":24.615862176004967,"d":"25"},{"$nulls":27},"DPP-Cl, 2,6-Lutidine_DMAc",{"v":31.166666666666668,"d":"31"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_DMAc",{"v":20.760666010666352,"d":"21"}]
[{"$nulls":7},0,null,null,90,{"$nulls":23},0,{"$nulls":27},"HATU, DIPEA_DMAc",{"v":0.16666666666666666,"d":"0"},{"$nulls":8},"HATU, DIPEA_DMAc",{"v":0.20356381703506332,"d":"0"}]
[{"$nulls":7},50,null,null,80,{"$nulls":23},{"v":40.478038180971595,"d":"40"},{"$nulls":27},"PyBOP, DIPEA_DMAc",{"v":24.666666666666668,"d":"25"},{"$nulls":8},"PyBOP, DIPEA_DMAc",{"v":27.763623105902997,"d":"28"}]
[{"$nulls":7},36,null,null,70,{"$nulls":23},{"v":20.658078534844016,"d":"21"},{"$nulls":27},"BOP-Cl, DIPEA_DMAc",14,{"$nulls":8},"BOP-Cl, DIPEA_DMAc",{"v":11.087112245132241,"d":"11"}]
[{"$nulls":7},47,null,null,60,{"$nulls":23},{"v":20.021729008225982,"d":"20"},{"$nulls":27},"DPP-Cl, DIPEA_DMAc",{"v":29.833333333333332,"d":"30"},{"$nulls":8},"DPP-Cl, DIPEA_DMAc",{"v":22.465067930306144,"d":"22"}]
[{"$nulls":7},{"$f":"N5","v":2},null,null,50,{"$nulls":23},{"$f":"AN5","v":0},{"$nulls":27},"HATU, NMI_NMP",{"$f":"BS4","v":{"v":1.5,"d":"2"}},{"$nulls":8},"HATU, NMI_NMP",{"$f":"CC4","v":{"v":0.09261756218816591,"d":"0"}}]
[{"$nulls":7},{"$f":"N6","v":33},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":11.56293652025454,"d":"12"}},{"$nulls":27},"PyBOP, NMI_NMP",{"v":27.333333333333332,"d":"27"},{"$nulls":8},"PyBOP, NMI_NMP",{"$f":"CC5","v":{"v":13.958985411495378,"d":"14"}}]
[{"$nulls":7},34,null,null,30,{"$nulls":23},{"v":8.36566816700295,"d":"8"},{"$nulls":27},"BOP-Cl, NMI_NMP",24,{"$nulls":8},"BOP-Cl, NMI_NMP",{"v":10.332055052169318,"d":"10"}]
[{"$nulls":7},33,null,null,20,{"$nulls":23},{"v":16.234673288840604,"d":"16"},{"$nulls":27},"DPP-Cl, NMI_NMP",{"v":28.666666666666668,"d":"29"},{"$nulls":8},"DPP-Cl, NMI_NMP",{"v":22.313095917751827,"d":"22"}]
[{"$nulls":7},2,null,null,10,{"$nulls":23},0,{"$nulls":27},"HATU, NMM_NMP",{"v":1.5,"d":"2"},{"$nulls":8},"HATU, NMM_NMP",{"v":0.03172691667394946,"d":"0"}]
[{"$nulls":7},52,null,null,0,0,{"$nulls":22},{"v":19.323296600962284,"d":"19"},{"$nulls":27},"PyBOP, NMM_NMP",{"v":32.5,"d":"33"},{"$nulls":8},"PyBOP, NMM_NMP",{"v":17.819578934694686,"d":"18"}]
[{"$nulls":7},39,{"$nulls":26},{"v":15.07061927673444,"d":"15"},{"$nulls":27},"BOP-Cl, NMM_NMP",{"v":22.5,"d":"23"},{"$nulls":8},"BOP-Cl, NMM_NMP",{"v":10.836746673209204,"d":"11"}]
[{"$nulls":7},40,{"$nulls":26},{"v":12.959801334781934,"d":"13"},{"$nulls":27},"DPP-Cl, NMM_NMP",24,{"$nulls":8},"DPP-Cl, NMM_NMP",{"v":11.788765041769679,"d":"12"}]
[{"$nulls":7},1,{"$nulls":26},{"v":0.09312432096849294,"d":"0"},{"$nulls":27},"HATU, 2,6-Lutidine_NMP",{"v":1.3333333333333333,"d":"1"},{"$nulls":8},"HATU, 2,6-Lutidine_NMP",{"v":0.015520720161415489,"d":"0"}]
[{"$nulls":7},8,{"$nulls":26},{"v":2.5143566661493093,"d":"3"},{"$nulls":27},"PyBOP, 2,6-Lutidine_NMP",{"v":7.166666666666667,"d":"7"},{"$nulls":8},"PyBOP, 2,6-Lutidine_NMP",{"v":3.6251286228155,"d":"4"}]
[{"$nulls":7},4,{"$nulls":26},{"v":0.9002017693620984,"d":"1"},{"$nulls":27},"BOP-Cl, 2,6-Lutidine_NMP",{"v":3.6666666666666665,"d":"4"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_NMP",{"v":1.6711330562445144,"d":"2"}]
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["Data associated with Extended Data Fig 7a",{"$nulls":5},"Boc amine 7 C-N coupling: 384 Data points",{"$nulls":55},"Boc amine 7 C-N coupling:  64 conditions"]
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[{"$nulls":7},{"v":8.96697722748872,"d":"9"},null,"C",3.544228990007659,89.63000444646444,56.693466623264435,43.44989583987234,3.31782475568929,100,78.34212051738962,51.0777104926869,21.096715748264913,98.64002815492427,98.87311092831885,74.0467393217398,0.32083885641403576,11.110001836368298,5.869140141903488,4.879777281539942,3.450885536387511,68.28406930358065,34.510012751492795,44.63450838118655,0.6698074235367155,16.153603469794756,5.134114241035067,5.572461589536519,{"v":7.656698895687148,"d":"8"},null,0.9684216052151375,73.19594639737822,49.50487253151758,38.417119241009175,0.524777066213227,100,58.81799110708679,37.447602682022875,16.748113956781516,89.12725726093258,79.41794567141235,61.205913386922354,0,10.547563541251968,0,0,0.791343524022282,35.67404868561204,14.556995361134202,26.136560713134944,0,9.834998387866444,6.2234503591448815,6.5548266557477115,null,null,"XantPhos Pd G4, MTBD_DMF",{"v":3.819134759433276,"d":"4"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMF",{"v":1.973109556709468,"d":"2"}]
[{"$nulls":7},{"v":0.1578672376931202,"d":"0"},null,"D",0.19748488504392833,0.1574183366162428,0.13908728871736334,0.1245650776309996,0,0.00522651599066428,4.830280852477358E-3,0.011032643207825545,0.10387529298669555,0.06637012406006064,0.04940094784191613,0.03206070203742222,0.38639522168741464,0.325358579652976,0.18429562301985228,0.11916648498117591,0.47724729106034863,0.3514641338677963,0.3340578525233868,0.24181179567268038,0,0,0.024111186207538663,0,0,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"cataCXium Pd G4, P2ET_DMF",{"v":0.10090607535708246,"d":"0"},{"$nulls":8},"cataCXium Pd G4, P2ET_DMF",0]
[{"$nulls":7},{"v":77.8036033156577,"d":"78"},null,"E",0.09298746204513031,0.04107419474917111,0.054292965502168715,0.020379093749787736,0.00762435335593859,0.004350455568772024,0,0.009575913874716417,0.048036461170259864,0.02399279749327514,0.04306262290855348,0.01663883062628083,0.1155796073040837,0.0377611326795609,0.043223975016952916,0.06977914744202124,0.515159393659895,0.3582056879604957,0.32412592069029045,0.2101612660462305,0,0,0,0.010111961637618622,{"v":54.88971184773438,"d":"55"},null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"tBuXphos Pd G4, P2ET_DMF",{"v":76.48803366125631,"d":"76"},{"$nulls":8},"tBuXphos Pd G4, P2ET_DMF",{"v":62.84740296632714,"d":"63"}]
[{"$nulls":7},{"v":79.02315274109193,"d":"79"},null,"F",2.4331309297544457,68.56781821163455,59.87909304068228,18.785819622530475,2.146532269093172,59.77317620655591,45.89832344577155,13.284253611311609,4.421185558531589,96.98615274227527,95.39344094014989,35.50078644009999,0.8127974935102154,99.55719369593011,87.54914869404259,8.984814911268392,2.8128332034904653,99.71729976604202,95.22421675851996,16.960474297734713,4.304983840675963,99.92686763286206,89.98902776630943,73.7934807466012,{"v":73.68821047808815,"d":"74"},null,1.258220309054931,48.8853070028888,40.294666463046,15.018349543288428,0.41158985585343816,48.961443034034474,25.033023654840875,10.386598634293286,5.6659711758142315,71.13202741647606,72.02847037597736,35.91191899016054,0,97.12180872235407,66.81071245806585,4.406664013191406,0,73.19683513976219,64.90494242847588,9.360078003862284,3.4621038165284146,68.07557782439271,45.65195803793088,49.60101215046836,null,null,"tBuBrettPhos Pd G4, P2ET_DMF",{"v":63.93226438661287,"d":"64"},{"$nulls":8},"tBuBrettPhos Pd G4, P2ET_DMF",{"v":58.960529503042835,"d":"59"}]
[{"$nulls":7},{"v":0.4381245548963695,"d":"0"},null,"G",35.91874054510504,100,85.21915202780649,71.84430343115231,16.405589665428707,99.77455615458888,97.36301846692731,32.45115128568602,28.064951148994258,93.22521811366535,95.27293776078703,90.63580336390802,3.1070074696205507,61.6554696720242,16.93272120353532,7.173507481381325,39.21213173893516,100,82.74974081597513,71.85702795093505,33.612212921818504,100,44.18287781063671,22.424020934573342,0,null,27.923757528321104,100,97.78552748374443,72.08674156016187,6.317904287351551,96.32373085624704,75.09456920047224,19.708851625715933,23.301871050222662,81.28021338980433,63.86324884980089,100,0,31.37402626940154,8.680417353727178,6.709501336213811,25.138645697778298,100,53.25587758840932,51.73999226641578,25.633666752891607,100,29.766124098768266,17.884267165550295,null,null,"XantPhos Pd G4, P2ET_DMF",{"v":0.7618373019135948,"d":"1"},{"$nulls":8},"XantPhos Pd G4, P2ET_DMF",{"v":0.2935239053546459,"d":"0"}]
[{"$nulls":7},{"$f":"M5","v":{"v":0.036748024450851936,"d":"0"}},null,"H",5.805379692010868,16.261723300929205,8.125163622352527,2.769647420076537,0.3876239649873305,0.43998064767489087,0.6138345326624197,0.3642358455135783,0.1587326351393351,0.15749598662317685,0.10630631364862476,0.09841719106248036,1.5024709332221176,2.515773644243882,1.5974139799628064,1.8208239945936306,2.654504046401466,5.170081987643455,3.438333082477715,3.1458667944625525,2.1636363796997706,4.644608705137105,3.6853355298188886,2.9888851714458236,{"$f":"AM5","v":0},null,4.104189136306635,11.319210468545078,5.188220022715669,4.102160903303032,0,1.1215823572010168,0,0,0,0,0,0,0,0,0,0,0.8427294671406262,0.853006655764344,0.9352241647535453,1.551855482173726,0,3.874761091543725,4.982291044748917,2.7853753084817625,null,null,"cataCXium Pd G4, DBU_DMAc",{"$f":"BR4","v":{"v":0.0530335025599166,"d":"0"}},{"$nulls":8},"cataCXium Pd G4, DBU_DMAc",{"$f":"CB4","v":0}]
[{"$nulls":7},{"$f":"M6","v":{"v":81.92929084005186,"d":"82"}},null,"I",0.02713559984835593,0.05941052734978701,0.07262296840352968,0.03671094196748102,0,0.008922066401942505,0.003025507141231071,0.08176788695664029,0.021125610948855487,0.0659706718676434,0.07045954789768523,0.14192653600965524,0.08802556022154133,0.07868267524158896,0.05938327769907376,0.07260688037943315,0.4055214084198384,0.4328166349785849,0.30413569803887097,0.23780168599057666,0.010254923488293623,0.013160237766842922,0,0,{"$f":"AM6","v":{"v":88.05633238204696,"d":"88"}},null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"tBuXphos Pd G4, DBU_DMAc",{"v":68.88048989452112,"d":"69"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMAc",{"$f":"CB5","v":{"v":44.91879112740977,"d":"45"}}]
[{"$nulls":7},{"v":56.693466623264435,"d":"57"},null,"J",1.1134043996336238,77.1068437559271,62.81939882636329,28.833552869895346,3.6463827802317073,60.894189799044035,47.130117117924826,26.534766650374465,23.55076978763433,98.68852696538389,92.66425414515089,94.38078733012884,0.5055166887484417,91.70713585718477,76.86901631097975,15.714899718574712,1.4865531113522001,98.3265140742043,97.2284166836245,53.82396076537855,9.480799963844978,84.79609281102918,94.59778727186912,92.49412226038208,{"v":49.50487253151758,"d":"50"},null,0,56.68076089756928,61.29582613508837,17.07390403833215,1.6202491919334512,33.99024789285549,29.255421088576956,17.3961025013094,23.16097455707886,75.98473851342213,80.2029762659102,62.08717515704899,0,60.56000170581281,33.8893785182254,7.463609484277468,0,70.4005405801191,80.58253674416571,20.752598522911274,5.436140489819195,33.666630296597674,55.100289448556524,72.08176155372665,null,null,"tBuBrettPhos Pd G4, DBU_DMAc",{"v":46.570327533900716,"d":"47"},{"$nulls":8},"tBuBrettPhos Pd G4, DBU_DMAc",{"v":34.7535425050493,"d":"35"}]
[{"$nulls":7},{"v":0.13908728871736334,"d":"0"},null,"K",82.25609142116005,88.20072401906643,83.18692296076759,73.36603628186599,55.292480811905236,99.31466988048575,91.51695538842851,90.37563920721573,94.95766315163485,91.92463111505933,97.35403995802635,93.60864202489843,13.565212286179381,74.89385506444745,21.039098084744865,12.775819153690525,93.31862717356358,93.21806015959234,96.29135053841642,88.61680620259581,36.53312415070528,85.26712071122094,44.00230658167518,21.85994142478651,0,null,63.83696347271147,69.79185557071358,79.57760258085659,65.22678031134399,31.17034289293746,75.53522758989412,54.75984375020598,47.228392497232406,74.22296775941332,69.55807683187801,59.59306884605837,83.98158684832755,4.690964917268528,48.139605958946774,17.438662079946482,15.530647637458825,66.85658054811587,50.87773614089436,58.611192115338866,49.24289236058697,22.05227727724794,54.45727477016785,35.43617726854333,23.09029544348525,null,null,"XantPhos Pd G4, DBU_DMAc",{"v":0.12263052986042244,"d":"0"},{"$nulls":8},"XantPhos Pd G4, DBU_DMAc",0]
[{"$nulls":7},{"v":0.054292965502168715,"d":"0"},null,"L",4.193132321093999,8.96697722748872,6.773299775974926,4.0155331118286925,0.2528646192479614,0.3039326783675793,0.5792645703300431,0.45366242752690594,0.16968544918611195,0.1495996972349533,0.09326446735104452,0.12695345647167078,1.6310173891736963,3.6796991224986337,1.234078502266032,{"$f":"Z16","v":0.9810904483639287},2.2506522045392425,4.154965628766598,2.9100569422185187,2.3730824295507116,2.3245028769407416,5.659634202243175,3.582974600077543,5.210299723094665,0,null,2.766032585352603,7.656698895687148,5.451174466216045,2.97792328029672,0,0,0,1.6948498533068053,0,0,0,0,0,0,0,{"$f":"AZ16","v":0},0,0.8473542020212631,0,0,0,3.3346042425483975,4.199272026470976,7.165476057665082,null,null,"cataCXium Pd G4, Barton's Base_DMAc",{"v":0.07745091401966092,"d":"0"},{"$nulls":8},"cataCXium Pd G4, Barton's Base_DMAc",0]
[{"$nulls":7},{"v":59.87909304068228,"d":"60"},null,"M",{"$f":"K17","v":0.11093401057134418},0.1578672376931202,0.08080022327118408,0.09205484654547333,0.039462977109802136,0.030271994367828865,0.029496380941678186,0,0.027069244309232503,0.04426268709929701,0.03198404054081413,0,0.03422064413386861,0.07938941861592258,0.058338098292430626,0.010258221228902728,0.24819426098536893,0.2804079996050529,0.2682890723680329,0.1472459545016141,0.007754491089180236,0.013237114761273214,0.004493090618961066,3.1195916113552595,{"v":40.294666463046,"d":"40"},null,{"$f":"AK17","v":0},0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"tBuXphos Pd G4, Barton's Base_DMAc",{"v":78.98887510757929,"d":"79"},{"$nulls":8},"tBuXphos Pd G4, Barton's Base_DMAc",{"v":52.453962236389465,"d":"52"}]
[{"$nulls":7},{"v":85.21915202780649,"d":"85"},null,"N",1.629881106900186,77.8036033156577,39.800589094958255,5.732774279565648,0.046129068109524905,13.251792804521271,36.65541912616237,2.8991636605972366,18.24785047360078,100,85.30997680297627,0.2070775792741776,6.265175611552308,97.84534192681973,100,0.17618832595041553,5.581930592866147,89.56588933534499,63.09221291982695,0.4941625857474675,0.6827308595007004,80.46157458519419,77.24754263081475,8.027531179459054,{"v":97.78552748374443,"d":"98"},null,0.3245172805451066,54.88971184773438,59.124781666673314,3.8550744003586477,0,6.451670990504254,25.644363212617037,2.2394346813328148,22.61194245200222,80.85275626411352,71.7176951190552,0,0,100.00000000000001,83.28666060158332,0,2.754286551142973,80.14588469250421,39.99445031814225,0,0,54.74439400310641,55.0398497466585,7.714092013010101,null,null,"tBuBrettPhos Pd G4, Barton's Base_DMAc",{"v":70.28674134761134,"d":"70"},{"$nulls":8},"tBuBrettPhos Pd G4, Barton's Base_DMAc",{"v":54.74096076248705,"d":"55"}]
[{"$nulls":7},{"v":8.125163622352527,"d":"8"},null,"O",1.2167513699357648,79.02315274109193,64.2191356810596,1.0090146113792318,0.022577172767427937,20.286570585374783,13.380391368135845,0.2654620739462093,16.360952105775272,98.74073854154155,94.89336891637629,2.345785108614244,1.0190973020996725,41.56625181197656,10.204638512324394,0.011361835330397044,3.1071995482190653,48.82328345520903,50.70266866227328,0.30368748126108536,0.08660563128061835,95.15358918448338,96.2673065833742,0.9758987768117183,{"v":5.188220022715669,"d":"5"},null,0,73.68821047808815,74.8182941844584,0,0,31.316200048104385,21.793425623782326,0.9260771756705561,11.887373139834343,87.07905133877455,74.0931121312684,2.6316152660032,0,16.358318644451874,5.14584636379037,0,2.3564308865489014,78.82693599752984,50.29900195651831,0,0,66.49446051130823,70.97790947285017,0,null,null,"XantPhos Pd G4, Barton's Base_DMAc",{"v":2.9277311768204974,"d":"3"},{"$nulls":8},"XantPhos Pd G4, Barton's Base_DMAc",{"v":1.850955872036355,"d":"2"}]
[{"$nulls":7},{"v":0.07262296840352968,"d":"0"},null,"P",0.19022271957469197,0.4381245548963695,0.6251548369091033,0.3961528864212351,0.04594364275707006,0.018665491094170712,0.023703706152047962,0.022777075179486204,2.760659198315569,1.556826563325003,3.6731053138926715,0.44510042675460365,0.5399268764683167,0.414000277828495,0.6717910518761914,0.2748238125389674,1.6345454917633064,2.1434069243375307,8.279179882744064,0.3780086719783839,0.034753892696379705,0,0,0,0,null,0,0,0,0,0,0,0,0,2.900736350416691,1.7611434321278754,4.462767819391293,0,0,0,0,0,2.431068968928258,0,3.98754918598273,0,0,0,0,0,null,null,"cataCXium Pd G4, MTBD_DMAc",{"v":0.08493783319673177,"d":"0"},{"$nulls":8},"cataCXium Pd G4, MTBD_DMAc",0]
[{"$nulls":7},{"v":62.81939882636329,"d":"63"},{"$nulls":26},{"v":61.29582613508837,"d":"61"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMAc",{"v":78.55149839265208,"d":"79"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMAc",{"v":56.72107136675385,"d":"57"}]
[{"$nulls":7},{"v":83.18692296076759,"d":"83"},null,null,"scale",{"$nulls":23},{"v":79.57760258085659,"d":"80"},{"$nulls":27},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":72.23177891867648,"d":"72"},{"$nulls":8},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":50.9027577734916,"d":"51"}]
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["Data associated with Extended Data Fig 7b",{"$nulls":5},"Boc amine 7 C-C coupling: 384 Data points",{"$nulls":55},"Boc amine 7 C-C coupling:  64 conditions"]
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[{"$nulls":7},{"v":69.29297746089802,"d":"69"},null,"E",58.21508602822596,30.38850627715148,67.35797124933447,33.862832503838824,62.23152445114108,70.96646418885325,72.05711308657617,47.10839565884132,9.192468481794924,13.443632816008291,39.620755357919734,42.09198639160896,25.910165535316533,42.231169963278376,27.664063539273858,39.21015705564688,73.45497691717011,66.1974357626247,90.34405139035154,31.89264312223283,24.71983563189424,57.245331287186055,57.202705455435506,32.90136518066026,{"v":22.41513850955911,"d":"22"},null,52.55559890753024,15.987124463519313,44.4596176355833,26.443620756925476,32.82442748091603,39.02110462505613,44.22990570273911,74.80916030534351,8.452774715178244,6.762219772142594,31.367144432194046,41.08783535464902,16.09110404496044,29.823264068623825,10.337942764179546,13.443762478739924,36.86753641195555,39.88403396148271,60.005522192310345,26.25112169531304,20.849636668529904,53.325880380100614,35.326998323085526,19.4242593627725,null,null,"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":63.62646600757885,"d":"64"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":56.26327429612459,"d":"56"}]
[{"$nulls":7},{"v":92.14769632013086,"d":"92"},null,"F",73.0560043828175,48.40648706374376,100,85.65015393874859,58.85120029360357,64.54504013367911,80.3365963267413,54.06539206716748,4.989234884011981,1.7237138206261495,28.572594748040988,13.285990820327019,82.08395359552662,89.65196931203975,47.42065265405431,19.474731335799856,69.23497889837395,76.94831540133255,73.7820278636688,47.43950276748001,65.3452189154829,84.07193506649308,90.7918742939866,52.6532080953788,{"v":89.97268825595006,"d":"90"},null,56.028092079594224,30.784237222005462,100,37.729223566133435,19.802424786708578,49.1692860350247,88.86394252357431,23.619218679838347,5.034913634693128,0,23.134876883498713,14.590224182285924,44.27272055017378,38.1646084448717,24.181024920505806,26.443836426828366,31.19348381307379,30.96569338027197,11.865810726858562,39.621729826741216,47.23309111235327,73.64449413079933,34.85187255449972,25.852431525992174,null,null,"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":80.57249883576186,"d":"81"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":59.56312133431182,"d":"60"}]
[{"$nulls":7},{"v":31.74385598432063,"d":"32"},null,"G",80.91003649775844,87.92597822480458,91.7181184749647,95.92560784586063,66.9777756287376,71.67874593217256,100,71.79216758397723,5.891404964225121,33.9212221831537,69.87013185259117,100,86.79149408272909,95.72992459677381,81.45759581973039,78.70684823130192,76.57678891085463,82.47512381959852,91.92402196112553,79.55865299801496,62.970108643871875,100,88.98511068223607,94.28893027345212,{"v":21.771361685524777,"d":"22"},null,47.863831447522436,67.70386266094421,80.81349980491612,51.10222395630121,51.59407274360126,75.30309833857207,50.651100134710376,80.78132016165245,3.7486218302094816,20.81955163542815,22.5101065784638,100,57.40590105745766,35.391555128299935,29.372180729128154,72.28425645197072,37.626837854628285,32.15986746738455,53.08897632360047,74.74287292054946,58.91559530463946,49.46897708216881,67.69144773616546,77.83678032420346,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":58.7060241522854,"d":"59"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":32.60836973327513,"d":"33"}]
[{"$nulls":7},{"$f":"M5","v":{"v":14.92132725294567,"d":"15"}},null,"H",73.27141060364052,8.71443110565831,91.7706274064986,73.85209534171315,65.16784330155625,65.70756781741868,72.81670045859275,37.733364464524286,7.447724994152791,4.367113605641257,8.263010647931344,7.584192744902891,75.5464860857208,95.28692089312604,52.606457243394644,25.743615148654335,76.06568119451698,80.52769973434268,88.5482243742679,79.13864004121265,12.307842401571433,31.765728616566655,20.551060499561597,13.756545349778731,{"$f":"AM5","v":{"v":3.960202887241514,"d":"4"}},null,51.88255950058525,1.9508388607101053,58.93484198205228,63.8607101053453,43.825774584643014,58.06017063313875,43.825774584643014,34.03682083520431,3.528114663726571,0.4961411245865491,4.428518926865123,7.772877618522602,55.83820158248909,41.49227242475782,29.120757228425646,21.814686090364564,41.70635742389729,51.61178988058259,69.7383861392973,97.13536273900739,11.822247065399665,27.221911682504192,6.204583566238122,11.542761319172723,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":{"v":4.3897077480852,"d":"4"}},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":0.8668111530847967,"d":"1"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":50.85585314474872,"d":"51"}},null,"I",23.794844818938714,35.72323433412811,45.693229812418494,34.58604368928293,66.73216440808602,80.19019807833804,82.47450349089628,32.14678351812994,8.967403911570761,21.89639739814121,38.27550269002957,42.508960056325584,28.556335883936864,65.17636532162886,23.455898683618944,20.656834867771895,74.1435467926273,78.34138037556674,75.77836150832343,28.24378690640888,31.6371164245455,80.94178464085203,52.45986878248601,30.50500573398958,{"$f":"AM6","v":{"v":9.744440109246977,"d":"10"}},null,10.407725321888412,26.414358174014826,19.957081545064376,21.195864221615295,66.77144140098788,62.68522676246071,41.26627750336776,30.75886843286933,4.1161337743476665,23.410510841602353,15.306872473355384,33.60896729143697,17.87325297641056,32.71463432670266,4.932337499075649,15.418176440139023,49.38910747566784,35.30751708428246,18.3889003934562,9.82950231241803,21.99552822806037,53.66126327557295,40.02235885969816,22.778088317495808,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":15.450419592550354,"d":"15"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":5.976869339315308,"d":"6"}}]
[{"$nulls":7},{"v":4.326300022377061,"d":"4"},null,"J",51.183893145674666,56.1087255414863,95.89230460581649,87.9319505852759,63.722260597377634,73.52605126352825,76.41328043579514,38.73962853117014,3.634824875974879,3.3122054269413645,14.90145664236089,13.18212900703683,80.36332486344332,93.86257253427128,15.369354731487503,10.995525038603965,72.33959074827452,78.15851954881806,52.0709841866989,36.578286096213844,76.63239557845394,87.3896512290437,62.32653440246139,45.13275802886023,{"v":0.9851736246586033,"d":"1"},null,57.676550916894264,44.176746000780334,41.45532579008974,39.04603979711276,40.9070498428379,68.79209699146834,26.08890884598114,25.90929501571621,2.205071664829107,1.8743109151047408,10.051451672179345,5.788313120176405,64.88944760777935,59.92013606448273,6.6035642978629,8.762848480366783,41.644232760405885,43.100710982259955,12.431835438669152,22.999930972596122,86.24930128563443,40.02235885969816,11.682504192286194,64.22582448295137,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":1.9862665438521832,"d":"2"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":0.3560818359219553,"d":"0"}]
[{"$nulls":7},{"v":8.344116792826993,"d":"8"},null,"K",47.250993464354885,85.70387431807835,93.81582907011736,85.24327723635578,72.49824763158585,78.14634288623378,96.19744726594068,66.63129481849032,6.278342096565877,39.86242254997259,42.31808283076615,58.48594364535209,84.14642393010004,94.1855441883457,33.864233404588795,52.770318809102314,77.78273392139134,80.10638929211225,76.73131378410159,66.67343803627047,71.33753995878183,97.41934908147472,75.84020459325711,58.95228349123611,{"v":1.9215762777994538,"d":"2"},null,31.535310183378854,68.15255559890753,29.574717128365197,37.095200936402655,36.910642119443196,47.373147732375394,54.42299057027391,55.94970812752582,2.296949650863653,42.410878353546494,38.47850055126791,41.25321572951121,56.52591880499889,100,10.811210530207795,25.70435554240923,27.749016359494718,45.647822185407605,100,43.756471319113686,82.42034656232532,47.847959754052546,26.74678591391839,43.57182783678032,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":9.233208270009145,"d":"9"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":3.1478163543281945,"d":"3"}]
[{"$nulls":7},{"v":67.35797124933447,"d":"67"},null,"L",14.683308656836193,13.01870413666983,83.63741444632205,55.43585885475744,65.08528145751742,75.07777075091987,75.67193709328363,18.534287979138515,2.9865845955932593,4.720662900405702,7.544290829538267,7.427303541374764,70.46470951120537,92.48913797252601,34.69390646645296,{"$f":"Z16","v":21.12668370281198},77.57775378871386,79.24893758508402,100,77.87788473319976,17.012668587747754,43.3500817358543,16.868772019097015,10.797248812206675,{"v":44.4596176355833,"d":"44"},null,7.861880608661725,4.5942255169722985,71.13733905579399,36.07101053452985,61.1585092052088,51.95330040413112,49.12438257745846,24.472384373596768,0.569643513414186,1.966188901139287,2.223447262036016,7.662624035281147,33.040005915847075,68.42416623530282,15.018856762552687,{"$f":"AZ16","v":16.852769355912148},63.68468281907917,33.091737419755646,55.297853247739354,51.3909021881687,7.5740637227501395,21.21296813862493,5.841252096143097,4.8630519843487985,null,null,"RuPhos G4, BTMG_DMSO-tAmOH",{"v":59.04111001314855,"d":"59"},{"$nulls":8},"RuPhos G4, BTMG_DMSO-tAmOH",{"v":37.621188508348645,"d":"38"}]
[{"$nulls":7},100,null,"M",{"$f":"K17","v":35.81368784771252},69.2301673649853,4.972524919558324,2.2107673480095986,66.19358678115638,77.82980154078156,1.8686400424660408,0.6108865954099382,5.239138667764906,52.01147108865142,1.1288659092113844,0.45844218237372725,33.58396422194809,83.06151996754684,0.003766490363481576,7.9260939185311983E-4,0.11044112473708997,80.2182156122924,0.32990934074426925,0.21930249891180462,16.366132075800845,97.79879480207738,0.2950301218965939,0.10815222219270015,100,null,{"$f":"AK17","v":8.837300039016776},50.48770971517752,2.701911822083496,0.5462348809988294,30.89357880556803,58.643915581499776,0,0,2.4255788313120177,67.89783167952959,0,0,30.363085114249795,73.20860755749464,0,0,0,27.983709532684475,0,0,7.406372275013974,85.04751257685858,0,0,null,null,"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":70.15062431441534,"d":"70"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":47.149587934822854,"d":"47"}]
[{"$nulls":7},{"v":91.7181184749647,"d":"92"},null,"N",61.89948069785566,69.29297746089802,2.8036644675416866,1.4120991689622444,61.430634918421156,75.89420700028438,2.9297116374324443,0.6129585847787025,3.977911865394908,5.728914903434019,3.1333770998326815,1.3467790794460244,32.48321365311253,72.53991723985537,0.12020101325254297,0.03790047386683885,49.746866234216654,69.27061461771905,0.4561477003255448,0.13101770920937106,25.69555153518748,89.03216482328227,0.4714115598196148,0.217658487176824,{"v":80.81349980491612,"d":"81"},null,41.13343737807257,22.41513850955911,0,0,39.06600808262236,100,0,0,0,2.8482175670709298,1.139287026828372,0.5512679162072768,23.700362345633366,53.13909635435924,0,0,32.68447573686753,59.17719334575827,0,0,14.197875908328676,100,0,0,null,null,"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":87.3258297984413,"d":"87"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":50.68788521783073,"d":"51"}]
[{"$nulls":7},{"v":91.7706274064986,"d":"92"},null,"O",32.4163676628317,92.14769632013086,11.914108752517421,9.369921772880545,69.212007304125,73.33788360337493,18.58845548679807,13.498151788484797,8.174582412077797,38.051808410633065,6.538651349855658,4.939328402753839,33.02283907783843,100,1.399620697578414,1.8658084048338839,35.330999251068846,81.2818941662573,3.0579852330362804,4.015754767581999,28.872033133415297,98.61571051417502,2.469870427670009,5.649890298701539,{"v":58.93484198205228,"d":"59"},null,15.850565743269605,89.97268825595006,4.272337104955131,5.706203667577058,32.19577907498877,58.419398293668614,9.205208801077683,5.163897620116749,3.9875045938993017,19.165747886806322,2.388827636898199,2.1683204704152885,21.984766693780966,44.317089403238924,0.7320860755749464,0.7690601197959033,14.978946641816801,47.711741561399876,1.3529371160350658,0.9042589908193552,16.40581330352152,97.79206260480716,1.732811626607043,2.850754611514813,null,null,"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":55.759346771707804,"d":"56"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":35.37547707125358,"d":"35"}]
[{"$nulls":7},{"v":45.693229812418494,"d":"46"},null,"P",4.987907250939451,31.74385598432063,0.43285890877103633,0.7400639212327446,56.67685108758699,70.88960847123316,0.5165611823830214,0.16875986404127272,1.4668571649031987,11.719498310033893,0,0.4069718590609984,33.677634159286555,90.26447338281787,1.9102942545551034E-3,2.1435173712651976E-3,71.85746208691167,81.91245516059598,0.05646315852180531,0.09236092479345724,7.009998102536562,65.70625360471087,0.057677842914181786,0.06598049343174378,{"v":19.957081545064376,"d":"20"},null,1.7850175575497464,21.771361685524777,0,0,49.438706780422095,23.259991019308487,0,0,0.4410143329658214,8.103638368246967,0,0,29.19470531686756,64.63802410707683,0,0,35.85283357492925,25.836957272036997,0,0,2.4874231414197876,52.04024594745668,0,0,null,null,"RuPhos G4, MTBD_DMSO-tAmOH",{"v":53.022894161295454,"d":"53"},{"$nulls":8},"RuPhos G4, MTBD_DMSO-tAmOH",{"v":23.312304712336253,"d":"23"}]
[{"$nulls":7},{"v":95.89230460581649,"d":"96"},{"$nulls":26},{"v":41.45532579008974,"d":"41"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":52.828985834103385,"d":"53"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":18.05226503951141,"d":"18"}]
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[{"$nulls":7},7,null,"E",41,18,8,4,28,97,95,83,75,89,80,84,73,98,93,83,5,89,67,55,17,94,57,34,{"v":7.497467071935157,"d":"7"},null,21.479229989868287,17.223910840932117,4.761904761904762,2.735562310030395,6.386637189879637,70.21616310488824,85.65463031196266,63.411938098747235,27.691266079891673,47.28334461746784,63.95565335138795,47.51184834123223,44.99054820415879,87.46546459211865,79.86040424603752,72.4152973680384,1.364913689281413,53.231633881975114,39.48213568847852,37.9164993978322,0,60.59113300492611,30.049261083743843,15.763546798029557,null,null,"PyBOP, DIPEA_DMF",{"v":56.5,"d":"57"},{"$nulls":8},"PyBOP, DIPEA_DMF",{"v":42.997343362039544,"d":"43"}]
[{"$nulls":7},7,null,"F",32,6,4,3,10,45,34,13,84,94,92,88,46,80,69,53,15,80,53,44,10,15,8,4,{"v":3.850050658561297,"d":"4"},null,24.316109422492403,2.735562310030395,2.9381965552178317,0,2.284450994841562,16.721935642348317,10.666912306558585,4.740849914026038,40.46208530805687,71.97867298578198,63.329383886255926,53.71530128639133,32.950414424894575,73.4913479714992,65.40642722117202,50.39988367020503,5.981533520674428,55.53994379767162,49.71898835808912,32.998795664391814,0.49261083743842365,0,0,0,null,null,"BOP-Cl, DIPEA_DMF",{"v":24.833333333333332,"d":"25"},{"$nulls":8},"BOP-Cl, DIPEA_DMF",{"v":9.478172695544853,"d":"9"}]
[{"$nulls":7},22,null,"G",0,7,73,45,0,6,29,3,0,50,81,68,0,22,46,25,0,4,17,2,0,27,59,36,{"v":16.31205673758865,"d":"16"},null,0,5.775075987841945,100,31.003039513677813,0,2.149349054286416,11.096782117415868,1.0194055514615574,0,12.12762356127285,47.05484089370345,26.040961408259985,0,11.836556638068926,41.29707721390141,11.37123745819398,0.04014452027298274,1.244480128462465,13.307908470493778,0.5018065034122843,0,15.763546798029557,50.73891625615764,14.285714285714286,null,null,"DPP-Cl, DIPEA_DMF",{"v":38.833333333333336,"d":"39"},{"$nulls":8},"DPP-Cl, DIPEA_DMF",{"v":27.397700954929846,"d":"27"}]
[{"$nulls":7},{"$f":"M5","v":14},null,"H",0,17,23,3,0,10,13,3,0,91,87,74,0,57,60,31,0,5,7,2,0,30,37,7,{"$f":"AM5","v":{"v":9.21985815602837,"d":"9"}},null,0,9.625126646403242,18.84498480243161,1.1144883485309016,0,6.067305330385655,6.177843281748956,1.3817243920412674,0.042315504400812456,52.28503723764387,59.63947190250508,36.4844278943805,0,43.47826086956522,36.68750908826523,21.24472880616548,0,4.5564030509835405,4.7771979124849455,2.408671216378964,1.477832512315271,29.064039408866996,44.33497536945813,7.389162561576355,null,null,"HATU, NMI_DMAc",{"$f":"BR4","v":{"v":68.66666666666667,"d":"69"}},{"$nulls":8},"HATU, NMI_DMAc",{"$f":"CB4","v":{"v":48.526871201134604,"d":"49"}}]
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[{"$nulls":7},19,null,"J",20,16,41,24,9,48,38,12,82,96,92,86,44,79,69,46,10,76,51,22,9,16,15,6,{"v":8.915906788247213,"d":"9"},null,9.72644376899696,11.752786220871327,51.87436676798379,19.250253292806484,1.7440432326209776,13.031196266273643,11.05379513633014,4.433800049127979,37.3645903859174,84.76641841570752,73.8067027758971,75.16926201760324,25.73796713683292,73.01148756725317,59.38636033153992,31.496291987785373,3.81372942593336,87.15375351264552,35.8089120835006,22.60136491368928,0,3.4482758620689653,4.433497536945813,0,null,null,"BOP-Cl, NMI_DMAc",{"v":31.333333333333332,"d":"31"},{"$nulls":8},"BOP-Cl, NMI_DMAc",{"v":13.065738463435807,"d":"13"}]
[{"$nulls":7},68,null,"K",0,4,45,21,0,5,22,0,0,19,71,48,0,2,8,3,0,1,4,0,0,2,10,2,{"v":79.5339412360689,"d":"80"},null,0,2.026342451874367,29.78723404255319,26.95035460992908,0,2.1063620732006876,6.951608941292066,0.018422991893883568,0,6.931279620853081,34.27555856465809,12.736966824644549,0,0.4653191798749455,4.769521593718191,0.63981387232805,0,0,0.5018065034122843,0,0,0.49261083743842365,0,0,null,null,"DPP-Cl, NMI_DMAc",79,{"$nulls":8},"DPP-Cl, NMI_DMAc",{"v":72.83510751778913,"d":"73"}]
[{"$nulls":7},8,null,"L",0,22,37,5,0,10,17,1,0,84,74,57,0,11,13,{"$f":"Z16","v":3},0,6,8,0,0,12,16,1,{"v":4.761904761904762,"d":"5"},null,0,17.426545086119553,41.641337386018236,2.634245187436677,0,2.1002210759027267,5.5821665438467205,0.17808892164087448,0,28.588354773188897,39.0572105619499,16.156059580230195,0,6.194561582085211,5.423876690417333,{"$f":"AZ16","v":1.0760506034608115},0,4.656764351665998,7.266158169409875,0,0,0,10.344827586206897,0,null,null,"HATU, NMM_DMAc",{"v":66.66666666666667,"d":"67"},{"$nulls":8},"HATU, NMM_DMAc",{"v":50.62733157391921,"d":"51"}]
[{"$nulls":7},4,null,"M",{"$f":"K17","v":1},19,9,5,30,100,97,83,69,93,92,90,51,100,95,86,7,82,62,55,5,100,61,36,{"v":2.9381965552178317,"d":"3"},null,{"$f":"AK17","v":0.20263424518743667},30.091185410334347,7.396149949341439,6.382978723404255,7.105133873741096,72.42692213215426,84.05797101449275,39.11201179071481,20.24373730534868,73.8490182802979,74.43297224102912,38.490182802979014,37.356405409335466,100,68.25650719790606,75.93427366584267,2.93054997992774,68.586912886391,46.56764351665998,40.60618225612204,0,69.45812807881774,49.26108374384236,29.55665024630542,null,null,"PyBOP, NMM_DMAc",{"v":43.333333333333336,"d":"43"},{"$nulls":8},"PyBOP, NMM_DMAc",{"v":32.00998472121558,"d":"32"}]
[{"$nulls":7},73,null,"N",0,7,5,3,9,45,32,13,79,97,94,89,29,82,71,56,13,90,51,52,2,18,10,4,100,null,0,7.497467071935157,2.634245187436677,1.9250253292806485,3.1810366003438957,14.873495455661999,7.559567673790223,2.959960697617293,37.423832092078534,100,88.91333784698713,68.91503046716316,22.349861858368474,61.74203867965683,65.11560273375018,54.74770975716155,8.610999598554796,59.092733841830594,35.26696105981534,47.410678442392616,1.477832512315271,14.77832512315271,1.477832512315271,0,null,null,"BOP-Cl, NMM_DMAc",{"v":50.833333333333336,"d":"51"},{"$nulls":8},"BOP-Cl, NMM_DMAc",{"v":43.91592082527868,"d":"44"}]
[{"$nulls":7},23,null,"O",0,7,72,42,0,7,33,9,0,67,85,76,0,34,51,38,0,5,20,5,0,29,63,42,{"v":18.84498480243161,"d":"19"},null,0,3.850050658561297,99.18946301925025,40.83080040526849,0,1.234340456890199,13.565463031196266,1.8730041758781626,0,24.720717670954638,48.722071767095464,37.33073798239675,0,19.659735349716446,23.135087974407444,21.142940235567835,0,2.9706945002007226,14.110798875953432,2.0272982737856284,0,4.433497536945813,32.51231527093596,45.320197044334975,null,null,"DPP-Cl, NMM_DMAc",{"v":37.833333333333336,"d":"38"},{"$nulls":8},"DPP-Cl, NMM_DMAc",{"v":28.410330392815656,"d":"28"}]
[{"$nulls":7},24,null,"P",0,22,32,3,0,10,24,4,0,96,92,75,0,56,78,28,0,9,19,4,0,40,32,10,{"v":16.818642350557244,"d":"17"},null,0,16.31205673758865,36.67679837892604,1.5197568389057752,0,5.0110537951363305,8.929010071235568,0.7921886514369934,0,87.15301286391333,70.06601218686527,31.35578876100203,0,33.11036789297659,65.88628762541806,14.192234986185836,0.060216780409474105,6.543556804496187,18.78763548775592,1.3247691690084304,0.9852216748768473,16.25615763546798,29.55665024630542,0,null,null,"HATU, 2,6-Lutidine_DMAc",{"v":69.33333333333333,"d":"69"},{"$nulls":8},"HATU, 2,6-Lutidine_DMAc",{"v":48.573025484532515,"d":"49"}]
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[{"$nulls":7},{"$f":"N5","v":6},null,null,50,{"$nulls":23},{"$f":"AN5","v":{"v":6.788247213779129,"d":"7"}},{"$nulls":27},"HATU, NMI_NMP",{"$f":"BS4","v":{"v":43.333333333333336,"d":"43"}},{"$nulls":8},"HATU, NMI_NMP",{"$f":"CC4","v":{"v":28.468835106946326,"d":"28"}}]
[{"$nulls":7},{"$f":"N6","v":3},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":1.1144883485309016,"d":"1"}},{"$nulls":27},"PyBOP, NMI_NMP",{"v":37.833333333333336,"d":"38"},{"$nulls":8},"PyBOP, NMI_NMP",{"$f":"CC5","v":{"v":27.86130638634266,"d":"28"}}]
[{"$nulls":7},4,null,null,30,{"$nulls":23},0,{"$nulls":27},"BOP-Cl, NMI_NMP",{"v":18.833333333333332,"d":"19"},{"$nulls":8},"BOP-Cl, NMI_NMP",{"v":6.02931265339367,"d":"6"}]
[{"$nulls":7},4,null,null,20,{"$nulls":23},{"v":2.735562310030395,"d":"3"},{"$nulls":27},"DPP-Cl, NMI_NMP",{"v":30.833333333333332,"d":"31"},{"$nulls":8},"DPP-Cl, NMI_NMP",{"v":20.1016929865062,"d":"20"}]
[{"$nulls":7},4,null,null,10,{"$nulls":23},{"v":2.735562310030395,"d":"3"},{"$nulls":27},"HATU, NMM_NMP",{"v":57.166666666666664,"d":"57"},{"$nulls":8},"HATU, NMM_NMP",{"v":39.959115385651664,"d":"40"}]
[{"$nulls":7},3,null,null,0,0,{"$nulls":22},0,{"$nulls":27},"PyBOP, NMM_NMP",{"v":34.166666666666664,"d":"34"},{"$nulls":8},"PyBOP, NMM_NMP",{"v":23.6424717558357,"d":"24"}]
[{"$nulls":7},45,{"$nulls":26},{"v":31.003039513677813,"d":"31"},{"$nulls":27},"BOP-Cl, NMM_NMP",{"v":29.833333333333332,"d":"30"},{"$nulls":8},"BOP-Cl, NMM_NMP",{"v":14.037027453453318,"d":"14"}]
[{"$nulls":7},3,{"$nulls":26},{"v":1.1144883485309016,"d":"1"},{"$nulls":27},"DPP-Cl, NMM_NMP",20,{"$nulls":8},"DPP-Cl, NMM_NMP",{"v":11.670533869845578,"d":"12"}]
[{"$nulls":7},10,{"$nulls":26},{"v":9.21985815602837,"d":"9"},{"$nulls":27},"HATU, 2,6-Lutidine_NMP",{"v":56.166666666666664,"d":"56"},{"$nulls":8},"HATU, 2,6-Lutidine_NMP",{"v":34.51285634839831,"d":"35"}]
[{"$nulls":7},24,{"$nulls":26},{"v":19.250253292806484,"d":"19"},{"$nulls":27},"PyBOP, 2,6-Lutidine_NMP",{"v":32.666666666666664,"d":"33"},{"$nulls":8},"PyBOP, 2,6-Lutidine_NMP",{"v":25.49182871016873,"d":"25"}]
[{"$nulls":7},21,{"$nulls":26},{"v":26.95035460992908,"d":"27"},{"$nulls":27},"BOP-Cl, 2,6-Lutidine_NMP",{"v":12.333333333333334,"d":"12"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_NMP",{"v":6.724259716465927,"d":"7"}]
[{"$nulls":7},5,{"$nulls":26},{"v":2.634245187436677,"d":"3"},{"$nulls":27},"DPP-Cl, 2,6-Lutidine_NMP",{"v":11.166666666666666,"d":"11"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_NMP",{"v":3.340740715461426,"d":"3"}]
[{"$nulls":7},5,{"$nulls":26},{"v":6.382978723404255,"d":"6"},{"$nulls":27},"HATU, DIPEA_NMP",{"v":59.166666666666664,"d":"59"},{"$nulls":8},"HATU, DIPEA_NMP",{"v":38.347046580894705,"d":"38"}]
[{"$nulls":7},3,{"$nulls":26},{"v":1.9250253292806485,"d":"2"},{"$nulls":27},"PyBOP, DIPEA_NMP",{"v":36.166666666666664,"d":"36"},{"$nulls":8},"PyBOP, DIPEA_NMP",{"v":29.326400782269214,"d":"29"}]
[{"$nulls":7},42,{"$nulls":26},{"v":40.83080040526849,"d":"41"},{"$nulls":27},"BOP-Cl, DIPEA_NMP",{"v":35.333333333333336,"d":"35"},{"$nulls":8},"BOP-Cl, DIPEA_NMP",{"v":24.75416301953864,"d":"25"}]
[{"$nulls":7},3,{"$nulls":26},{"v":1.5197568389057752,"d":"2"},{"$nulls":27},"DPP-Cl, DIPEA_NMP",{"v":20.666666666666668,"d":"21"},{"$nulls":8},"DPP-Cl, DIPEA_NMP",{"v":8.197456401089845,"d":"8"}]
[{"$nulls":7},{"$f":"O5","v":18},{"$nulls":26},{"$f":"AO5","v":{"v":5.969049373618276,"d":"6"}}]
[{"$nulls":7},13,{"$nulls":26},{"v":3.574060427413412,"d":"4"}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},28,{"$nulls":26},{"v":6.386637189879637,"d":"6"}]
[{"$nulls":7},10,{"$nulls":26},{"v":2.284450994841562,"d":"2"}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},35,{"$nulls":26},{"v":13.104888233849177,"d":"13"}]
[{"$nulls":7},9,{"$nulls":26},{"v":1.7440432326209776,"d":"2"}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},30,{"$nulls":26},{"v":7.105133873741096,"d":"7"}]
[{"$nulls":7},9,{"$nulls":26},{"v":3.1810366003438957,"d":"3"}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},{"$f":"P5","v":96},{"$nulls":26},{"$f":"AP5","v":100}]
[{"$nulls":7},47,{"$nulls":26},{"v":23.219110783591255,"d":"23"}]
[{"$nulls":7},14,{"$nulls":26},{"v":3.967084254482928,"d":"4"}]
[{"$nulls":7},61,{"$nulls":26},{"v":15.671825104396953,"d":"16"}]
[{"$nulls":7},97,{"$nulls":26},{"v":70.21616310488824,"d":"70"}]
[{"$nulls":7},45,{"$nulls":26},{"v":16.721935642348317,"d":"17"}]
[{"$nulls":7},6,{"$nulls":26},{"v":2.149349054286416,"d":"2"}]
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[{"$nulls":7},{"v":61.03395520557908,"d":"61"},null,"B",{"$f":"K6","v":6.018234200395645},100,42.9492873640548,91.35109002851378,3.7375474008095906,67.01179360536595,61.37842361441573,58.10923343326401,5.289094995782064,95.87906708190299,73.69503690384356,80.05916463382319,0.6085423491834971,87.32750421484218,29.098293280762825,57.639060967654935,4.4920400650194265,85.63754626139433,70.30278006511469,52.0289764233887,17.976994557415612,80.72421038741886,74.18491134048664,70.54523836745365,{"v":82.288830118931,"d":"82"},null,{"$f":"AK6","v":7.6764090302394505},71.14574849564045,43.21915023511898,60.36282536823404,2.6593452729502123,42.44478571665271,39.885207322866556,65.65544519450638,5.495329694267371,94.58723046994636,66.95210499534477,68.49239363338121,0.1394963110124042,77.95278049873191,23.80527541324191,31.564067896383847,2.8069914637073166,96.55066876462574,60.88646495605854,51.23120132785772,12.48591514458689,78.57027037426255,92.886323536692,59.01149049375698,null,null,"tBuBrettPhos Pd G4, MTBD_DMF",{"v":82.01514038855552,"d":"82"},{"$nulls":8},"tBuBrettPhos Pd G4, MTBD_DMF",{"v":76.96002818813615,"d":"77"}]
[{"$nulls":7},{"v":18.30885470443036,"d":"18"},null,"C",{"$f":"K7","v":7.570818325491144},56.861921743849464,45.40767733568303,51.34261413778777,9.277589048473729,98.56822852550836,85.46621888604297,90.30478044588583,29.245923227066367,74.19494267594017,81.88286514239272,83.8721569853837,0.024303740354768313,10.960235064585305,7.273620915263777,12.795150647159748,5.28382261845257,62.92436505388055,42.787380896449406,56.92203679650718,4.4057740225316495,21.0871692185086,16.844052614077135,23.21826537598158,{"v":24.221998820824403,"d":"24"},null,{"$f":"AK7","v":4.204245817651452},65.47040882891876,61.81587861024874,49.35387173651572,7.922351979317443,100,90.55264001060483,98.5165339019578,22.055550714806746,100,71.61167549955806,47.58199812927581,0,9.41989079431758,6.446703211635169,5.751329430503251,3.5339344827643644,42.43738239301744,40.50303954108916,52.90484812678844,2.337261519350677,18.467512765689406,10.035356422419621,14.776250048095353,null,null,"XantPhos Pd G4, MTBD_DMF",{"v":9.42220978005035,"d":"9"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMF",{"v":8.706326133802435,"d":"9"}]
[{"$nulls":7},{"v":3.3492639336167223,"d":"3"},null,"D",{"$f":"K8","v":0.6811875289531184},2.5745244888383816,0.5580111223954735,0.28887034300697684,0.1871668009098748,0.8490008434602012,0.05801652502772435,0.035561640853526345,0.3684396450350572,0.20251324587699865,0.23488454759599942,0,0.41560051280459787,0.3635962348851056,0.21501808776691236,0.12349762866786389,0.2765301389265141,0.17171098488522896,0.8863469714394936,0.9211608382482619,0.5263076073269647,0.23175498193119246,0.3333087270238086,0.7205820377386285,{"v":3.3466633374333976,"d":"3"},null,{"$f":"AK8","v":0},0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,null,null,"cataCXium Pd G4, P2ET_DMF",{"v":0.9856208312066815,"d":"1"},{"$nulls":8},"cataCXium Pd G4, P2ET_DMF",{"v":1.3555662387702483,"d":"1"}]
[{"$nulls":7},{"v":89.15583223107609,"d":"89"},null,"E",{"$f":"K9","v":0.33215146423294717},0.09668379766016075,0,0.448523644872129,0.24845647407229024,0,0.23274413136137626,0.22334181063304412,0.23331122170657356,0.20511508259254474,0.24979696237830631,0.2506764452996578,0.2115073382499366,0.044280713533604354,0,0.06644324584210995,0.870316245760971,0.1434482358161652,0.12717719925774604,0.036654213859293384,0.6056975467336448,0.05747176442612416,0.1607874982279499,0.0928974662532514,{"v":63.24121729649573,"d":"63"},null,{"$f":"AK9","v":0},0,0,6.8958259525904095,0,0,0,0,2.3814395122835696,0,0,2.1258640534970255,0.33264504933727973,0,0,0,1.849466338237213,0,0,1.8625831207777377,0,0,1.214732896176098,1.7314066167216586,null,null,"tBuXphos Pd G4, P2ET_DMF",{"v":75.27929477788166,"d":"75"},{"$nulls":8},"tBuXphos Pd G4, P2ET_DMF",{"v":62.02194682192816,"d":"62"}]
[{"$nulls":7},{"v":26.048051782570862,"d":"26"},null,"F",{"$f":"K10","v":2.9682738459123765},86.77909700778702,46.6002043264902,33.55456721243296,3.4427160935888237,57.722798728744976,48.58647255438705,23.613035244602226,1.8373971850581432,93.97065790178327,89.29761112495413,34.122543907763166,1.3300154700345306,92.09809929281352,91.9055909940398,38.821636583802075,11.662216898110046,85.29636741495158,84.34881641372303,48.544075505884116,12.706733827589543,84.99489184589011,78.196990397559,42.29478396062692,{"v":44.63298476615184,"d":"45"},null,{"$f":"AK10","v":4.163981274372948},52.56889093407232,45.52468752492381,76.19881794805407,3.800643015765969,53.215299797813785,51.3077968423744,19.058788434554145,4.960349458159666,65.20519931660135,63.47153214815436,30.835475163830097,1.4077822079354843,94.08365103235819,62.29334234695204,22.91150262054079,8.341344590448044,66.12443345064479,100,35.668740029196684,6.5793451435421,59.18490598187486,70.79268192137285,40.680222939217636,null,null,"tBuBrettPhos Pd G4, P2ET_DMF",{"v":39.062678172468644,"d":"39"},{"$nulls":8},"tBuBrettPhos Pd G4, P2ET_DMF",{"v":45.43085789467213,"d":"45"}]
[{"$nulls":7},{"v":4.320870520605886,"d":"4"},null,"G",{"$f":"K11","v":53.59788504633359},60.32920777522878,55.62242298522637,47.123175569487124,37.385318906897524,98.47185078645302,82.86625232326801,52.32346426927626,19.50964534892869,74.24097433975821,83.80713706304168,75.39251752400975,6.519010559612477,71.82839551212386,15.914490573136867,14.945368708254518,80.15082335434037,87.02518584134629,78.8927977126614,69.16152264735732,65.27883372372484,100,49.3816928006096,25.796610811142305,{"v":8.324825051867235,"d":"8"},null,{"$f":"AK11","v":67.53553542038019},72.6146199510848,64.02872901309125,70.94364140503215,28.62823303244794,95.40751952800821,76.45324877639139,53.80351559479271,14.822943349284909,88.98392267169613,56.17369503189882,60.548806054859064,5.168779039376908,37.19015723227557,12.633958614052263,8.776617352422436,89.50373199789843,74.12353932329346,60.377861713040346,55.37020205857171,48.96754574486532,79.43315671154198,66.81312626077127,26.577228979900024,null,null,"XantPhos Pd G4, P2ET_DMF",{"v":12.831570163075034,"d":"13"},{"$nulls":8},"XantPhos Pd G4, P2ET_DMF",{"v":8.57975520750503,"d":"9"}]
[{"$nulls":7},{"$f":"M5","v":0},null,"H",{"$f":"K12","v":57.51990761605323},26.657657401427414,17.51430629545419,11.987985061268164,1.1891834707156435,0.7383856798091991,1.0562944775567837,1.7540939416054115,0.24630830048777827,0.47814551516822384,0.3938878961180809,0,58.85766367216786,19.73017659821233,7.977602491500897,2.4646609203061183,55.91108515589624,29.25503702839538,22.654228164232496,6.494382839032916,9.73331027830561,16.614528763861163,13.363780664532273,15.261553761589953,{"$f":"AM5","v":0},null,{"$f":"AK12","v":52.92682703633814},28.762871907768627,11.434999562058334,11.723780003948773,4.949674625183336,5.594900067394817,4.6668360751730145,9.049507794632756,0,0,0,0,26.68137126407118,9.257189808493038,5.749145010248234,1.3581728742526757,41.82788923095846,22.88107942375857,11.186484030044175,4.148127825232131,3.506785464979242,8.525116389000845,8.750474075621584,6.393150225632645,null,null,"cataCXium Pd G4, DBU_DMAc",{"$f":"BR4","v":{"v":0.04827140192488722,"d":"0"}},{"$nulls":8},"cataCXium Pd G4, DBU_DMAc",{"$f":"CB4","v":0}]
[{"$nulls":7},{"v":42.9492873640548,"d":"43"},null,"I",{"$f":"K13","v":0.24853027307100042},0,0.17397824299776452,0.48672851210987894,0.0881171712229135,0,0,0.17643695123911268,0.24257198636668914,0.3061987656921547,0,0.2673754089856036,0.13294031637426432,0,0.05822701547858576,0.0961688677108836,0.3106731555039879,0.20252999330646795,0.13571806446915483,0.05908030582629131,0.35165103780187046,1.2916880624814269,0.08326664717453146,0.32002853746515514,{"v":43.21915023511898,"d":"43"},null,{"$f":"AK13","v":0},0,0,5.7007010998236165,0,0,0,0,1.6594833707462278,0,0,3.4237194629688106,0.3593179703440583,0,0,0.5932425534264214,2.225480771070459,0,0,2.9973487703291135,2.3030456266869335,0,0,2.347017858222621,null,null,"tBuXphos Pd G4, DBU_DMAc",{"v":58.60145542811304,"d":"59"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMAc",{"v":54.60575440988712,"d":"55"}]
[{"$nulls":7},{"v":45.40767733568303,"d":"45"},null,"J",{"$f":"K14","v":4.559444768490022},59.6409670524389,55.186805029775314,54.52430624396493,6.363020912134195,63.56462155526664,55.056566158089446,31.372878538134568,33.03587796800607,96.64661169113911,95.61219729622145,87.00992235529083,3.5946812520495324,93.2123049659666,83.71214148379931,28.661469698438573,15.61357357263813,89.00908129250418,66.37073638908103,100,33.660891108818376,97.33336022133092,82.15430860836939,70.45308527698732,{"v":61.81587861024874,"d":"62"},null,{"$f":"AK14","v":5.699785996567156},100,56.54841353778206,60.77475256261802,3.526643170443352,46.65709140325648,49.6583840638123,23.5104020505793,31.446083398761644,74.59216963778655,89.15794890704628,67.96492324312368,3.0903989747790686,100,56.26855799138229,16.78307327235628,10.856323682843037,86.72466835034952,67.07458038593784,47.577521551147015,36.208178285413496,66.22169974661834,85.58116174635735,72.30031110353958,null,null,"tBuBrettPhos Pd G4, DBU_DMAc",{"v":46.61030263165151,"d":"47"},{"$nulls":8},"tBuBrettPhos Pd G4, DBU_DMAc",{"v":46.827548882592595,"d":"47"}]
[{"$nulls":7},{"v":0.5580111223954735,"d":"1"},null,"K",{"$f":"K15","v":88.12315367915113},61.03395520557908,48.91051302509578,48.824017532961385,49.962649161332614,100,99.24867178543106,52.53266759902019,87.0155282651573,76.61213778626359,89.38140826563807,87.5742031220457,21.353843243324782,82.30697310293189,23.178896090388584,19.108260994596105,77.13241315476758,87.10362106246532,59.671666142076624,41.61700703021223,61.62443255398918,85.03415517409324,56.23771226991463,43.492140020318466,0,null,{"$f":"AK15","v":51.211400617831906},82.288830118931,69.40849032801304,85.46750664430438,46.76470263282862,64.31870159428654,76.44540442598704,63.09454099501683,59.1165436608435,67.60021431945742,68.35943084995868,69.62363637327068,11.977003803193467,73.91967005291279,16.71466642753212,10.102292184988311,85.24821051561327,73.63275304322909,73.1475960490163,36.33294110509971,65.5236405709805,100,49.90855149972671,34.72919976035302,null,null,"XantPhos Pd G4, DBU_DMAc",{"v":0.38093099687490195,"d":"0"},{"$nulls":8},"XantPhos Pd G4, DBU_DMAc",0]
[{"$nulls":7},0,null,"L",{"$f":"K16","v":23.717430262531717},18.30885470443036,12.18040307949037,7.621650307235966,0.650250238897732,0.541821690105979,0.7442147368448019,1.3038263822218208,0.5420848363712004,0.3915100973579061,0.24886489304581802,0.30968445099337305,22.472742483255207,8.715759536804049,3.338271151340098,1.158804838226637,29.83795198636404,13.586464684757173,7.242593213274167,3.0795946318977006,12.137283689734673,14.988847966846635,10.876163595225158,14.390337571226338,0,null,{"$f":"AK16","v":24.485287100574883},24.221998820824403,15.373996164412343,9.154954434395021,4.189546022030255,6.045674006474262,8.052059970611095,6.915623515373894,0,0,0,0,12.288896860109533,4.6798904570730455,3.0549692111716973,1.175639651903198,26.534431280901735,9.9492981701544,5.789911773242028,2.53290536186751,3.82317941220159,7.3410953482884995,7.827057213370523,10.267516063606605,null,null,"cataCXium Pd G4, Barton's Base_DMAc",{"v":0.12841763187089641,"d":"0"},{"$nulls":8},"cataCXium Pd G4, Barton's Base_DMAc",{"v":0.20245548269601632,"d":"0"}]
[{"$nulls":7},{"v":46.6002043264902,"d":"47"},null,"M",{"$f":"K17","v":2.6772723375247676},3.3492639336167223,1.8374723271822366,2.3843108460225126,0.2537953286779375,0.2629562431844824,0.20788175384608965,0.27832207764507605,0.06771621615832021,0.2862626619123445,0.12685340582807336,0.06301558632055518,1.2183332928190926,0.4746773280931927,0.2587769650695825,0.06965093602788584,2.176045079006436,1.4748891234905623,0.024966685445049562,1.2045779736751316,0.3311509352822329,0.06567569694278479,1.1339242998561998,0.03218194630347142,{"v":45.52468752492381,"d":"46"},null,{"$f":"AK17","v":1.2131654598204626},3.3466633374333976,0,11.389113670204582,4.1276750892157015,0,0,1.2285799516078364,2.3646386392157597,3.7780301385514496,2.4031506691707163,0,2.3641367247802045,1.0087039566366434,0,0,3.591648325943503,0,0,0,0,0,0,0,null,null,"tBuXphos Pd G4, Barton's Base_DMAc",{"v":73.1559476351922,"d":"73"},{"$nulls":8},"tBuXphos Pd G4, Barton's Base_DMAc",{"v":65.56500679729623,"d":"66"}]
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{"sheet":"27","index":27,"n_rows":387,"n_cols":81,"rows_kept":387,"merged":[[0,0,0,5],[0,6,1,59],[0,62,1,80]]}
["Data associated with Extended Data Fig 7g",{"$nulls":5},"THP alcohol 9 \nC-C coupling: 384 Data points",{"$nulls":55},"THP alcohol 9 \nC-C coupling:  64 conditions"]
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[{"$nulls":7},{"v":81.10435668629427,"d":"81"},{"$nulls":26},{"v":29.312787814381863,"d":"29"},{"$nulls":27},"tBuXphos Pd G4, BTMG_DMF-H2O",{"v":76.45646716664162,"d":"76"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMF-H2O",{"v":41.42105260684491,"d":"41"}]
[{"$nulls":7},{"v":97.63470191694691,"d":"98"},{"$nulls":26},{"v":47.30782855118668,"d":"47"},{"$nulls":27},"tBu3P Pd G3, BTMG_DMF-H2O",{"v":92.3091057841205,"d":"92"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMF-H2O",{"v":53.52415056187212,"d":"54"}]
[{"$nulls":7},{"v":85.55731307746476,"d":"86"},{"$nulls":26},{"v":43.53524619199433,"d":"44"},{"$nulls":27},"XantPhos Pd G4, BTMG_DMF-H2O",{"v":79.82908379430665,"d":"80"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMF-H2O",{"v":44.938443451601024,"d":"45"}]
[{"$nulls":7},{"v":36.557626592492795,"d":"37"},null,"LC-MS",1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,{"v":20.758058802692172,"d":"21"},{"$nulls":27},"RuPhos G4, MTBD_DMF-H2O",{"v":76.1588544271891,"d":"76"},{"$nulls":8},"RuPhos G4, MTBD_DMF-H2O",{"v":36.4100255684898,"d":"36"}]
[{"$nulls":7},{"v":77.74867820706433,"d":"78"},null,"A",{"$f":"K5","v":2.941167670675915},{"$f":"L5","v":14.669432963636577},17.69407383772635,17.585258498695026,14.912725055948659,20.941639791244338,8.293536285898195,8.344360289883566,1.9178376191377755,1.644569539209507,2.5956758833069875,2.505967658499198,15.291412134270272,15.152810554447356,0.8369781809104303,1.1418661001763837,24.099981678698953,24.034126346810535,2.6924092276986884,4.007891070119907,7.434661243377497,3.998330745496654,1.1329146200273263,1.5711768096699743,{"v":43.28728303223521,"d":"43"},null,{"$f":"AK5","v":3.5954658165072617},{"$f":"AL5","v":3.0641161884520014},8.519305703152675,2.0545518951470068,3.0842230130486357,8.778173190984578,0,0,0,0,0.7730043109855805,0,6.900269541778976,3.6058700209643604,0,0,8.678131970928977,11.578038425559473,0,0.2662445132042887,3.6740100390407138,0,0,0,null,null,"tBuXphos Pd G4, MTBD_DMF-H2O",{"v":72.21329768432535,"d":"72"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMF-H2O",{"v":43.904684803201995,"d":"44"}]
[{"$nulls":7},{"v":93.10249657941527,"d":"93"},null,"B",{"$f":"K6","v":54.47619229826881},33.278157568456436,52.15885337432892,43.176064608782,45.84551878767774,51.741207648022694,16.08248444242539,12.278778514039965,2.090170480272831,0.5444910006596214,1.5706616836566185,0.6483209260057647,40.602364955967374,39.128098199501004,5.507727836214902,4.2975501386537465,80.81218717353,66.95186565418739,13.462173342896792,11.489643600018711,35.106313936909444,15.541292377027466,11.533533548614129,9.003597085588538,{"v":80.6234502302515,"d":"81"},null,{"$f":"AK6","v":26.39036486007793},26.602904711300035,36.89337584130358,23.786751682607157,48.19098457888494,26.690391459074732,4.596678529062871,0,1.07031366136465,0.2081165452653486,0,0,10.116801437556154,12.015573525007488,1.5573525007487272,0.652890086852351,37.54767215945888,38.57667122400518,2.597682953155357,3.209325753759804,14.166201896263246,7.222532069157836,3.8413273842721694,6.267428890128277,null,null,"tBu3P Pd G3, MTBD_DMF-H2O",{"v":88.31359979961337,"d":"88"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMF-H2O",{"v":53.572452723220174,"d":"54"}]
[{"$nulls":7},{"v":79.97805394803673,"d":"80"},null,"C",12.782465943812923,25.71051424487622,4.323355647621452,3.2259838046036102,13.25689843407268,26.29527121043553,12.253640759004945,11.844878656764443,0.5112267465527293,0.8308833202122905,0.9554434126121906,0.7278507253916027,6.728966895527016,18.42591917010713,0.8739252291530587,3.753907848833509,11.505697144995557,6.403271810144544,1.1530096674099137,2.0417100712581666,4.057197388407586,12.686546673583342,1.4367319416851454,4.172770514725819,{"v":20.54551895147007,"d":"21"},null,5.827134254339355,8.253630889125045,0.7261778250088559,0,5.427046263345196,6.049822064056939,0,1.3345195729537367,0,0,0,0,2.030548068283917,4.438454627133872,0,0.6469002695417789,2.403396416492768,3.1301719795639347,0,0.6764049794919766,1.4431121026213052,6.532348020078081,0,1.5964863357501395,null,null,"XantPhos Pd G4, MTBD_DMF-H2O",{"v":73.69971254514061,"d":"74"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMF-H2O",{"v":45.38139801431931,"d":"45"}]
[{"$nulls":7},{"v":81.91774920896086,"d":"82"},null,"D",16.53428268317023,13.322725457728856,14.906397570381962,10.000119580062666,13.999503878332398,14.912199081522427,8.732510246006653,8.464644676385559,1.0468110746437034,0.7705216708805591,0.6835654095578473,0.5069574234031569,16.514247473131206,14.87927466448395,5.54189744150818,2.417158050663757,82.58982894921492,85.58340479940125,46.63039308936117,57.173023248561584,3.6400099667582433,2.8211977549499867,1.1879002179285385,1.1002709129967683,{"v":44.332270634077226,"d":"44"},null,8.076514346439957,6.553312079348211,10.201912858660998,5.207226354941551,2.372479240806643,3.3214709371293,0,0,0,0,0,0,6.1335729260257565,3.629829290206649,0,0,46.85903432395481,53.18414046197021,32.27315247895229,36.39634453479168,0.7668711656441718,1.1293920803123256,0,0,null,null,"RuPhos G4, Cs2CO3_DMF-H2O",{"v":93.91617035857227,"d":"94"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMF-H2O",{"v":60.556682711961656,"d":"61"}]
[{"$nulls":7},{"v":95.28678293466112,"d":"95"},null,"E",60.14245801953544,51.878238909560174,77.81597902164796,43.954399609463955,54.999575623114985,77.73332103422774,59.2763044594507,75.5544016723319,83.18484101041615,95.86928181978044,74.49815317090543,96.35047015198084,81.7672880378984,93.71172971947699,99.63099859423068,93.59181747798822,83.72861085556578,97.11836340105718,98.2518438245521,100,67.63667460841867,94.63086384636105,95.64700946220775,94.5802202005688,{"v":94.63336875664187,"d":"95"},null,18.508678710591568,36.30889125044279,52.79844137442437,4.587318455543747,40.53973902728351,36.120996441281136,64.88730723606169,57.74021352313167,40.13676230117437,37.237996134978445,73.91110450423666,61.27545711312621,23.234501347708896,54.27373465109314,36.04073075771189,100,42.51996833849032,42.20335324170684,32.28754407426063,29.999280420234584,24.086726157278303,72.0510317902956,37.29782487451199,81.27440044617958,null,null,"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":88.65923233330183,"d":"89"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":56.91224266413409,"d":"57"}]
[{"$nulls":7},{"v":92.31235230695837,"d":"92"},null,"F",68.9672271879245,81.10435668629427,77.41875301249061,96.70405600810201,48.24074430953442,66.61135678045216,69.7147011699885,70.00492108579161,15.163744131045815,45.24168159012876,69.79595505564292,80.43525799849647,77.23030683136005,90.74093871392452,67.42842007762161,51.61100427128239,82.09234715357148,94.33590351301203,94.15783605943898,89.39042302714671,64.44023406350414,80.70456571603792,76.81341971190477,82.06938146191843,{"v":75.38080056677293,"d":"75"},null,39.93978037548707,29.312787814381863,46.3336875664187,53.48919589089621,46.02609727164887,90.42111506524319,69.30604982206405,56.07947805456702,1.263564739111045,12.070759625390219,15.965512115356027,69.54065705366433,45.2890086852351,37.65199161425576,23.65977837675951,21.910751722072476,45.13923868460819,46.70072677556307,22.263797942001872,100,38.26687116564417,32.36893474623536,66.80145008365868,49.51199107640826,null,null,"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":90.03266711275187,"d":"90"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":56.97408337730091,"d":"57"}]
[{"$nulls":7},{"v":76.13647037622421,"d":"76"},null,"G",74.520053544417,97.63470191694691,80.62250630578701,99.11843647340028,58.1170848867811,68.99223698355486,67.45144920851935,83.3467728489449,88.1080775768046,99.04449172589338,90.76309010671089,100,83.37396600905282,96.12001128733094,83.27232577791153,94.70553372041431,81.716144574556,96.61740445636411,88.28361374019616,96.1629036533454,69.28120081242837,95.4457883346328,78.09106515180225,99.83082914464713,{"v":24.300389656393907,"d":"24"},null,43.83634431455898,47.30782855118668,22.617782500885582,73.11370882040383,32.53262158956109,50.68208778173191,39.145907473309606,57.562277580071175,56.429314701947376,60.96328229522818,31.871562360636243,100,38.298891883797545,33.82449835280024,60.52710392333034,25.840071877807727,24.19946751097359,75.61344175001798,64.13614449161689,30.48859466071814,20.426659230340213,52.75376464026771,37.08170663692136,42.85415504740658,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":73.35066902234162,"d":"73"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":52.24959838212775,"d":"52"}]
[{"$nulls":7},{"$f":"M5","v":{"v":17.69407383772635,"d":"18"}},null,"H",67.87521978452631,85.55731307746476,69.87367442698648,97.11564322730395,54.0303425863893,60.76277840259736,61.8722890901881,78.79134726163734,62.520636099969295,45.35450236635243,60.483339290204334,50.74195252892851,82.2577318877741,95.75894606877384,100,80.11259648188334,86.35837244476323,96.3505449612524,86.00074064834017,97.42169397969845,71.38459283840051,95.19041788939916,64.70565558060804,74.79188401462442,{"$f":"AM5","v":{"v":8.519305703152675,"d":"9"}},null,49.096705632306055,43.53524619199433,79.13567127169678,100,22.894424673784105,42.20047449584816,52.63938315539739,59.9644128113879,33.49189832020217,26.490263118775086,40.404340716515534,29.28497101233834,31.60826594788859,41.75501647199761,56.98712189278227,20.61695118298892,53.67345470245377,46.48485284593797,31.11462905663093,92.10620997337554,51.26185164528723,69.16480758505298,44.26240936977133,65.01673173452315,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":{"v":5.540931339261331,"d":"6"}},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":1.5487183356897092,"d":"2"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":52.15885337432892,"d":"52"}},null,"I",41.04101492467308,36.557626592492795,74.26228000718369,35.29777138953193,62.95861625245964,87.34538241484854,8.330904548691393,100,74.39139022959962,53.710197784897204,7.644261903581622,51.23186926270774,80.87752390402541,92.62121691310696,91.37077706679773,45.80325934548643,84.92641074018056,96.11378697394477,85.47856017962671,89.20179158935338,70.23543138179828,90.60491588384423,70.24522729400739,71.24671787018453,{"$f":"AM6","v":{"v":36.89337584130358,"d":"37"}},null,17.871059156925256,20.758058802692172,30.853701735742117,21.07686857952533,25.652431791221826,58.54092526690391,0,65.86595492289443,28.720083246618106,17.16961498439126,1.8730489073881373,26.7727070016352,36.687631027253666,42.73734651093142,36.286313267445344,18.388739143456124,52.36381952939483,35.17305893358279,39.670432467439014,29.272504857163415,59.606804238706076,44.08114891243726,72.98522030117122,57.46653653095371,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":16.719239038022792,"d":"17"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":8.247736201423784,"d":"8"}}]
[{"$nulls":7},{"v":4.323355647621452,"d":"4"},null,"J",65.67508487431935,77.74867820706433,68.42796899657293,98.39192711145891,60.52628046031568,78.53852990754162,76.68630192889529,64.67616036359159,9.928932211035516,7.855541694584611,33.823260021301394,22.71987786380946,76.85610273669087,91.75209660363878,36.65520382611862,22.173432330023527,83.01266118846772,93.9500491166794,87.66932000686074,62.16969422917999,63.74280505225004,83.4348905764434,73.79322238251673,44.963328564436246,{"v":0.7261778250088559,"d":"1"},null,36.9465108041091,43.28728303223521,32.46546227417641,62.16790648246546,27.075919335705812,41.81494661921708,40.71767497034401,58.45195729537367,4.444774788167088,3.121748178980229,27.352460234874385,14.716812843763936,26.259359089547768,50.66786463012878,11.224917640011979,4.510332434860737,55.66669065265885,55.141397423904436,22.21342735842268,23.335971792473195,37.46514221974345,69.39486893474624,69.48549916341328,20.30117122141662,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":3.499351109581118,"d":"3"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":0.12102963750147598,"d":"0"}]
[{"$nulls":7},{"v":14.906397570381962,"d":"15"},null,"K",66.9553494118816,93.10249657941527,74.04667670984493,100,66.89757804338264,82.03344634941037,77.23787062062702,95.6645652807509,36.778003131132756,76.54632422095602,92.64438913517922,75.57098720269575,80.23208443991906,92.61097846650188,77.02593436084584,80.22087918347832,84.16012037484602,94.18272963996695,89.23547159808523,95.25116554659847,66.54529572117217,91.40562354142972,73.4678106102931,78.37286680976317,{"v":10.201912858660998,"d":"10"},null,38.292596528515766,80.6234502302515,12.398157987956075,53.15267445979455,39.679715302491104,91.31079478054566,100,31.76156583629893,33.35810911253159,28.720083246618106,36.866359447004605,48.5952133194589,27.457322551662173,35.83108715184187,26.31925726265349,26.522911051212937,28.006044470029504,52.601280851982445,50.99661797510254,99.40994459235806,35.415504740658115,32.348020078081426,51.17122141662019,69.52732849972114,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":12.947110662457392,"d":"13"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":7.079177556268881,"d":"7"}]
[{"$nulls":7},{"v":77.81597902164796,"d":"78"},null,"L",63.41355532830516,79.97805394803673,82.68647818324213,96.45671857150704,54.626297017914396,67.34848028815708,59.35995500721562,77.41843794718689,28.223062535883074,24.262834013872784,27.76908966696327,30.940219066668522,79.85607192397453,92.0695997358592,82.5282717105669,{"$f":"Z16","v":74.87679956174998},83.14002151778335,94.44003087334134,84.23809895061825,96.330477289383,68.43518012718933,84.09927641157653,64.19876981980403,41.820285725569796,{"v":52.79844137442437,"d":"53"},null,37.105915692525684,20.54551895147007,51.381509032943676,25.150549061282323,69.27639383155397,57.32502965599051,55.27876631079478,59.66785290628707,9.707150289876617,11.401813587037312,19.83053367028393,20.573807046231604,21.114106019766396,47.097933513027854,52.44684037136867,{"$f":"AZ16","v":30.943396226415093},65.2155141397424,45.43426638842916,55.81780240339641,53.63747571418292,38.064696040156164,90.48382598996096,43.38399330730619,8.909648633575014,null,null,"RuPhos G4, BTMG_DMSO-tAmOH",{"v":84.1867147554991,"d":"84"},{"$nulls":8},"RuPhos G4, BTMG_DMSO-tAmOH",{"v":49.53715880353454,"d":"50"}]
[{"$nulls":7},{"v":77.41875301249061,"d":"77"},null,"M",{"$f":"K17","v":71.28496726298295},81.91774920896086,2.9117359166642496,2.0402648091106976,63.309963589161946,91.32268507952483,7.8508180854016985,13.322048875086558,66.5223778554906,99.29674509117,0.8086852288398334,0.35553438252190056,78.58863291767697,95.38703727803107,0.09334347254861715,0.192343102587357,80.59182480158421,95.66936678465065,0.2963249964916657,0.43673473874604335,68.8914721647435,99.90343870909624,0.5210060745749595,0.3839322633194453,{"v":46.3336875664187,"d":"46"},null,{"$f":"AK17","v":71.07686857952532},44.332270634077226,0,0,42.64531435349941,53.82562277580071,0,0,34.23517169614984,61.40924632079679,0,0,16.801437556154536,61.39562743336328,0,0,52.54371447074908,65.68324098726343,0,0,49.35164528722811,76.69408812046849,0,0,null,null,"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":75.88818084784789,"d":"76"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":40.72171265104314,"d":"41"}]
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[{"$nulls":7},{"v":0.10567511623668903,"d":"0"},null,"D",0.47559436741921496,0.1432983480923959,0.1235497225317746,0.395266187259201,0.13859121593466123,0.039282440203350276,3.8085396005222657E-3,0.019995055143484177,0.5370174021419223,0.4178445676703379,0.4323241830555543,0.6835303437252449,0.2294693663757761,0.022059882631301295,0.02339179934621069,0.05377214255616572,0.07934728234159588,0.025036966729661825,0.02286380829655801,0.03578832050630318,0.3734587215337857,0.10433922782041402,0.11037078246046131,0.170215581499986,{"v":0.014678899082568808,"d":"0"},null,0.30825688073394497,1.834862385321101E-3,0.04954128440366973,0.3486238532110092,0.030497102775236352,0.12198841110094541,0,0,0.09171039894023539,0.045855199470117694,5.0950221633464104E-3,0.05859275487848372,0.21424456286907675,0,0,0.03420711507993663,0,0,0,0,0.26905829596412556,0,0.02128144713840541,0.0972866154898533,null,null,"cataCXium Pd G4, P2ET_DMF",{"v":0.1280099857900718,"d":"0"},{"$nulls":8},"cataCXium Pd G4, P2ET_DMF",{"v":0.1915856252928193,"d":"0"}]
[{"$nulls":7},{"v":98.74818770753672,"d":"99"},null,"E",0,0,0,0,0.006903964219240492,0.004160013334444537,1.0817012528821846E-3,0.005096813623357502,0.04333859881846888,0.011129371042748344,0.014726942148932502,0,1.5741631746209108E-3,0.011868364082922052,0.008868763403210638,0.020501152848696996,0.02203923038944969,0.028124641465225714,0.029436156743662623,0.05252758078889754,0.07313708647527328,0.11304592797955013,0.07447809481589407,0.20201832708704273,{"v":74.55596330275229,"d":"75"},null,0.02018348623853211,0,0,0.023853211009174313,0.030497102775236352,0,0,0.060994205550472705,0.020380088653385642,0.017832577571712437,0,5.0950221633464104E-3,0,0.01260262134523981,0,0.023404868212588217,0.07544322897019992,0.2640513013956997,0,0.2640513013956997,0.0972866154898533,0.06536444478224519,0.03800258417572395,0.05472372121304249,null,null,"tBuXphos Pd G4, P2ET_DMF",{"v":70.47252407517891,"d":"70"},{"$nulls":8},"tBuXphos Pd G4, P2ET_DMF",{"v":70.12580437493538,"d":"70"}]
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[{"$nulls":7},{"v":0.8949459416744212,"d":"1"},null,"G",0.5824560010063364,40.356290852176606,14.671349127761175,12.989500395922402,0.3870506986693336,31.266095119037697,20.182633274995137,13.691232936078006,0.4268415786872327,64.8216219256676,41.647763564613655,33.54420798197548,0.25916888508298447,78.5604016620543,52.221322119400725,42.38849882649496,0.028704174400321563,4.719427717982105,1.3871567115739387,0.8612243579025709,0.2219940403581347,20.341141883678176,13.647537642247203,7.628430411537344,{"v":0.6256880733944954,"d":"1"},null,0.3394495412844037,26.236697247706424,15.653211009174312,12.772477064220183,0.48795364440378164,29.704178103080206,14.150655687709667,6.861848124428179,0.1936108422071636,43.81209558261578,32.17251745045091,15.534722576043206,0.18183782226703155,82.56517355609967,52.73836958087282,32.7686158721014,0.11316484345529988,3.7344398340248963,0.6789890607317993,1.018483591097699,0.2933799498365889,24.586151858326367,12.040738770236375,7.4849889792505895,null,null,"XantPhos Pd G4, P2ET_DMF",{"v":1.2873295045941522,"d":"1"},{"$nulls":8},"XantPhos Pd G4, P2ET_DMF",{"v":1.2263664994282755,"d":"1"}]
[{"$nulls":7},{"$f":"M5","v":0},null,"H",0.6567166501900589,16.0992513760521,7.606252832336942,4.755247705504693,0.6251003694752342,4.713948829069089,5.777131594299524,1.1597153651693197,1.4462674168550729,2.964538421114856,8.617737258020751,2.887694462282512,3.166524737255063,10.939840723541392,9.674158090805927,3.212836622133518,2.1466185899330474,2.8227604489488702,1.6805036910433722,0.7588281211736352,1.784227481706137,9.206013366269643,6.154586339062589,2.2487952104281286,{"$f":"AM5","v":{"v":0.005504587155963303,"d":"0"}},null,0.45504587155963305,13.917431192660551,3.673394495412844,3.2110091743119265,0.18298261665141813,3.7511436413540715,5.702958218969198,0.7929246721561451,0.6496153258266674,1.5234116268405768,3.701533601671167,1.7450450909461457,1.1198329252484516,6.519155984444764,7.552570934754429,1.2800662537807863,0.6035458317615994,1.5088645794039985,0.7167106752168992,0.7167106752168992,1.1856806262825872,9.984038914646195,5.539256669453523,1.989815307440906,null,null,"cataCXium Pd G4, DBU_DMAc",{"$f":"BR4","v":{"v":0.022602641011631685,"d":"0"}},{"$nulls":8},"cataCXium Pd G4, DBU_DMAc",{"$f":"CB4","v":{"v":0.00927799971131982,"d":"0"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":47.079759817827316,"d":"47"}},null,"I",0.02066364174425187,0,0.06348805217467032,0,2.8365141539572736E-3,0.002104730949801372,1.1402616884740395E-3,1.152873850598661E-3,0.016560476779002225,0.016807970204958098,5.7415141576968535E-3,0.004182388905294703,4.6868064940545585E-3,0.009668987990102507,0.00823939781087716,0.014287553632910243,0.02218677079163915,0.0275834798435198,0.02589189940816077,0.023463157402888093,0.07549140530786767,0.1089287599524742,0.08519465032332456,0.10597671468234779,{"$f":"AM6","v":{"v":52.40550458715596,"d":"52"}},null,0.01651376146788991,0.007339449541284404,0,0.029357798165137616,0,0,0.030497102775236352,0.15248551387618176,0,0,0.012737555408366026,0,0,0.01620337030102261,1.8003744778914013E-3,1.8003744778914013E-3,0,0,0.2640513013956997,0,0.09424640875579539,0.08056547845253477,0.06536444478224519,0.039522687542752906,null,null,"tBuXphos Pd G4, DBU_DMAc",{"v":34.58790936616417,"d":"35"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMAc",{"$f":"CB5","v":{"v":32.60830490758456,"d":"33"}}]
[{"$nulls":7},{"v":8.673402561964679,"d":"9"},null,"J",0,100,41.394387699150585,60.17500415275025,1.9320498930466428E-3,96.33479178820457,48.08579537183654,44.42860171680973,1.0488888055577691E-3,92.4540546058412,79.75028788297811,61.34600074685516,4.590438767482035E-3,100,62.8962847159009,73.4480370427095,1.3163792477398587E-3,66.08083984536631,27.45580348663281,18.331818995038642,0.08193020160313104,95.22024176466965,41.71791745260636,42.876650028753794,{"v":8.407339449541285,"d":"8"},null,0.012844036697247707,93.77247706422018,46.93577981651376,50.6,0.12198841110094541,87.40469655382739,37.45044220799024,22.018908203720645,0.05859275487848372,76.496662760483,57.75462373261324,36.72237224231925,5.401123433674204E-3,100,67.23498487685438,85.35755437130923,0,64.54168238400604,20.74688796680498,13.919275745001887,0.012160826936231663,81.24040434749563,36.32743026525804,38.751995135669226,null,null,"tBuBrettPhos Pd G4, DBU_DMAc",{"v":9.358732267331558,"d":"9"},{"$nulls":8},"tBuBrettPhos Pd G4, DBU_DMAc",{"v":7.107441206492029,"d":"7"}]
[{"$nulls":7},{"v":0.1235497225317746,"d":"0"},null,"K",0.799152758313161,41.00779136582746,17.967510212540176,7.390857256668994,0.6263706419979442,32.13486196071895,19.74486762785788,5.100887740645053,0.7164303864845257,74.02415873328364,44.050506991741365,13.613065486281354,0.5222719365813882,82.39564774064024,49.44523270333628,16.2376154360463,0.06892433656640923,4.666702696068911,1.6097180305202814,0.39001674804244946,1.1483489082370038,24.307542466611405,14.121330544773219,5.1588650036514165,{"v":0.04954128440366973,"d":"0"},null,0.5596330275229358,20.70275229357798,14.944954128440367,5.985321100917432,0.18298261665141813,32.723391277828604,12.076852698993596,5.245501677340653,0.5375248382330463,41.11937636928721,33.06924135119988,4.8122484332806845,0.34567189975514906,94.2820106582169,48.61191127754573,13.513610831052858,0,3.3949453036589965,1.961523953225198,0.3017729158807997,1.0367104963137492,19.889032454206887,10.739530288059589,3.5114387778368927,null,null,"XantPhos Pd G4, DBU_DMAc",{"v":0.11938480588184686,"d":"0"},{"$nulls":8},"XantPhos Pd G4, DBU_DMAc",{"v":0.01265295895090359,"d":"0"}]
[{"$nulls":7},0,null,"L",2.4108924623147994,16.397953339214382,3.0459771139111487,6.8906574811594155,2.1560778953801703,5.035453454454538,3.225491679862211,2.0363198599883323,1.5690870711246732,4.189710627478124,3.7530923918166756,2.5574836501738756,4.642311083027047,9.890077752401513,3.8893515909718728,{"$f":"Z16","v":2.8984090227762405},1.2644297136732146,3.384460271109993,0.9739954411546973,0.80163379828151,3.189134720208702,8.580519349920158,3.5348855369473706,1.9819091677632232,0,null,1.7394495412844038,12.157798165137615,4.073394495412844,4.0752293577981655,1.0978956999085088,2.561756633119854,2.866727660872217,2.6532479414455628,0.6292352371732817,2.3411626840576756,1.5488867376573088,1.0495745656493605,2.4593115367996545,5.9664410197321045,2.3926976811176726,{"$f":"AZ16","v":1.4925104421719717},1.169370049038099,2.3764617125612975,0.8675971331572991,0.2640513013956997,2.0399787185528617,6.49084137721365,3.5935243596564566,2.0719008892604696,null,null,"cataCXium Pd G4,BTMG_DMAc",{"v":0.02143194306076367,"d":"0"},{"$nulls":8},"cataCXium Pd G4,BTMG_DMAc",{"v":0.006333764029287325,"d":"0"}]
[{"$nulls":7},{"v":49.85636221497216,"d":"50"},null,"M",{"$f":"K17","v":0.07530335235803642},0.10567511623668903,0.07199171546484193,0.0831942229196334,0.022014945689918602,0.04890018612662166,0.027544573158874354,0.05624668722393533,0.7168625416720702,0.1194617434641059,0.13292613581618407,0.029178974933478326,0.012415832091544631,0.3339984889831589,0.06289663790725773,0.2673466135424055,0.027639415490503718,0.02170654389647852,2.7218862292809824E-3,0.025707563978929555,0.0593314343057887,0.13831783603337672,0.08147400493850633,0.16827925567044677,{"v":42.7394495412844,"d":"43"},null,{"$f":"AK17","v":0.012844036697247707},0.014678899082568808,0.012844036697247707,0.012844036697247707,0.21347971942665447,0.36596523330283626,0.36596523330283626,0.18298261665141813,0.13501808732867987,0.13501808732867987,0.4942171498446018,0.040760177306771284,0.02700561716837102,0.3798790148350857,0.023404868212588217,0.29526141437418985,0.11316484345529988,0.18860807242549982,0.11316484345529988,0.37721614485099964,0.06232423804818728,0.06536444478224519,0.10792733905905602,0.19913354108079348,null,null,"tBuXphos Pd G4,BTMG_DMAc",{"v":51.634559011831364,"d":"52"},{"$nulls":8},"tBuXphos Pd G4,BTMG_DMAc",{"v":43.00798307384071,"d":"43"}]
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{"sheet":"29","index":29,"n_rows":387,"n_cols":81,"rows_kept":387,"merged":[[0,0,0,5],[0,6,1,59],[0,62,1,80]]}
["Data associated with Extended Data Fig 7f",{"$nulls":5},"(+)-JQ1 10 \nC-C coupling: 384 Data points",{"$nulls":55},"(+)-JQ1 10 \nC-C coupling:  64 conditions"]
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[{"$nulls":7},{"v":48.13352692065927,"d":"48"},null,"G",0.4628381977959425,15.557976320632998,0.8551835896776033,0.25915249998632434,0.160196593387819,5.294074783361874,0.6840297174665358,12.754544831477192,0.2034579933383977,5.208412336819961,0.3225022193653947,8.387206806521357,0,0,0,0,0.3467331827754935,9.453488151800107,0.8906081197359113,27.62440958897508,0.3282009178812574,25.183042104622437,0.8625043578438705,11.766035362666482,{"v":44.136255712776034,"d":"44"},null,0.23880433141649396,9.972139494668076,0.32115065259459535,0.5558376679521843,0.2558314522197141,6.207674943566591,0.28592927012791575,10.827689992475545,0.1003664542632402,4.070676656630021,0.14704852601358448,5.8259225544429665,0,0,0,0,0.08970352983389897,5.672253203163544,0.4485176491694948,28.917427900787896,0.7797172896020926,18.803762764726596,0.3621912571054882,16.50485436893204,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":48.11426719439006,"d":"48"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":34.84463042653315,"d":"35"}]
[{"$nulls":7},{"$f":"M5","v":{"v":14.528484614730823,"d":"15"}},null,"H",4.743800183000604,43.064771877508306,4.273656853210965,69.47102668694853,8.621202277034572,44.07943323453337,2.4573628157195246,5.6313120065796,3.377258234091042,41.659290597791156,3.212013958978554,53.430799976625956,0,0,0,0,12.489972742696718,76.55557125116994,3.4023174362532145,82.68495998926967,8.759283539738611,82.83975586139998,5.366102242573186,33.75661630776948,{"$f":"AM5","v":{"v":2.4854864608923597,"d":"2"}},null,2.953488052921236,18.42361692491388,1.7388798155442406,32.92892140043644,3.7509405568096312,33.75094055680963,0.617005267118134,5.188111361926261,3.512825899213407,25.843194920990594,1.995658567327218,41.15724855869104,0,0,0,0,12.885912060639587,35.6332321676858,3.6539237819008177,84.58444839804446,5.050555862970975,36.52598219226319,2.283817093415162,28.346496302630918,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":{"v":3.7565119923253407,"d":"4"}},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":0.7721811887397205,"d":"1"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":18.13041295481639,"d":"18"}},null,"I",33.027947231097336,64.89111284435796,80.20952238344611,99.76007603497929,47.22988026795186,77.4627376960272,63.35721550974027,100,9.50876879097762,17.554985108397123,57.82197393794191,47.85443113422544,0,0,0,0,63.24126570875075,85.04336971986545,77.69267889392646,99.744722557765,46.74026125763354,92.67495801273732,37.11332212550472,69.28113869607922,{"$f":"AM6","v":{"v":13.053264345415368,"d":"13"}},null,14.48471789522803,35.209914497069846,76.91832617377818,49.43112416452795,22.994732881866064,26.24153498871332,27.343867569601205,81.19262603461249,13.663842401325772,22.46107882267815,17.361062483953038,100,0,0,0,0,45.697968215049265,65.4387250138293,42.248867492935844,93.05545173202566,54.937371095125506,88.7670405956034,50.06288042658081,59.575431359726345,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":4.645177807417623,"d":"5"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":2.8967726239432587,"d":"3"}}]
[{"$nulls":7},{"v":0.01248391682363727,"d":"0"},null,"J",11.176423669830791,38.58696002717821,55.813351304089544,100,26.9609239352847,36.060572655719206,19.727742841306863,14.115768692860577,1.0563602968503476,0.9952970116285864,17.33562322912406,5.672791445100216,0,0,0,0,38.821717902362536,77.28542932575795,42.55231051729663,14.927232818602823,22.663983141279513,41.2519457178296,31.10635061925793,25.60627809025538,{"v":0.013724386863016894,"d":"0"},null,6.925325611078325,13.407353526481204,25.45050299877853,100,21.320541760722346,39.63506395786305,7.404063205417607,12.618510158013544,0.8869593632565413,0.9709870924071611,7.151693392152744,6.026655462969447,0,0,0,0,62.201922645656104,50.26238282476415,15.728018897543619,18.510323381225053,16.27848483324111,17.973741133859853,13.843754716031993,24.397605513355803,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":0.013138098400496035,"d":"0"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":0.005002213715718503,"d":"0"}]
[{"$nulls":7},{"v":2.7711736899768593,"d":"3"},null,"K",0.30252042631776316,9.390353221211512,0.21550740293534143,0.2561736087394178,0.149222446928129,9.260776231986554,0.6485815218902844,14.041212398733347,0.1439592730672588,0.21986705779232163,0.09326766785484719,0.26666383684917905,0,0,0,0,0.323420340262831,0.6737284445328393,0.9930770238704362,0.3094202620328795,0.5287295082415762,41.22042527841582,0.7232844365220529,0.2708952099455742,{"v":1.1679453220427378,"d":"1"},null,0.24017677010279564,4.324554300536623,0.08234632117810137,0.23194213798498553,0.16930022573363432,7.016553799849511,0.18058690744920994,10.425131677953349,0.14238031883855007,0.2007329085264804,0.09569824708820578,0.3524496417150993,0,0,0,0,0.18837741265118782,0.2332291775681373,0.30499200143525645,0.1644564713621481,0.40746516424367424,20.740479903415665,0.3672216912319533,0.20121736505860455,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":1.1557190053961472,"d":"1"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":0.5452687449501844,"d":"1"}]
[{"$nulls":7},{"v":61.452258470268774,"d":"61"},null,"L",4.753889040432323,32.59314527450785,11.51714127158395,53.149110221409174,2.5647052688458283,21.424777153766385,4.480815407629318,11.23436470695745,1.7420300356454157,1.6972756243791272,1.51675960965348,18.666184762461288,0,0,0,{"$f":"Z16","v":0},4.34877940745638,78.65864591157379,6.322668410680738,87.0227531742019,6.853407175126265,75.85854259893937,6.649211572278076,20.348028486597123,{"v":28.34223131081619,"d":"28"},null,3.5902996033652195,12.726623938075566,1.2846026103783814,39.09940573404883,1.5688487584650113,18.559066967644846,1.2678705793829947,6.738148984198646,1.5895245430992226,1.6058632682118432,1.024671474920057,6.934621758513643,0,0,0,{"$f":"AZ16","v":0},4.781198140146815,32.05555638614379,1.7910804790168493,63.67455559376261,6.363499169978369,86.35746264902662,3.093716987776045,18.446601941747574,null,null,"RuPhos G4, BTMG_DMSO-tAmOH",{"v":43.74685462606713,"d":"44"},{"$nulls":8},"RuPhos G4, BTMG_DMSO-tAmOH",{"v":24.56008776510966,"d":"25"}]
[{"$nulls":7},{"v":71.9410286390965,"d":"72"},null,"M",{"$f":"K17","v":27.96501352419696},50.31116797641289,0.17002338413626272,0.2686198052636473,60.49744449455077,81.97903671027903,0.10629576616988562,0.10174447826069682,11.465111912581078,26.659337364576636,0.04902621398936481,0.05718517618185005,0,0,0,0,81.50720302638979,89.10243808758456,0.06132980400515742,0.1271908654501741,37.97153431547902,96.43350100736596,0,0,{"v":32.09173380179241,"d":"32"},null,{"$f":"AK17","v":31.86802629592523},38.31986056022947,0.009607070804111826,0.18802410002333145,30.872836719337847,100,0.030097817908201655,0.08276899924755456,5.940293630231309,13.208692201759915,0.01167051793758607,0.032677450225240996,0,0,0,0,41.17093007609849,40.12289383587244,0.029901176611299655,1.4950588305649827E-3,43.39755520901454,100,0.05533477539111625,0,null,null,"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":29.02004560726731,"d":"29"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":13.717571413816728,"d":"14"}]
[{"$nulls":7},{"v":0.8551835896776033,"d":"1"},null,"N",27.557913943341333,36.821609192061395,0.04958834661558696,0.03530649417005013,46.32412048496744,44.938300100919,0.16815648007247097,0.2247859444468725,0.6895293729912931,1.592117524688833,0.023832211768830713,0.035835998363816984,0,0,0,0,60.73059571243678,69.98538627047063,0.03925120826016084,0.052755484362617865,8.82223814146599,65.63446207768693,0.027376040441801388,0.05044442219978487,{"v":0.32115065259459535,"d":"0"},null,15.147605780711746,32.09996843391021,0.009607070804111826,0.002744877372603379,17.957110609480814,33.690744920993225,0.06395786305492852,0,0.840277291506197,1.4984945031860515,0.1003664542632402,0.21240342646406649,0,0,0,0,46.97325339752119,42.0246086683511,5.980235322259931E-3,1.4950588305649827E-3,5.407716685949998,48.030585039488905,0,0.06036520951758137,null,null,"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":0.6584651569447841,"d":"1"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":0.2835577657994988,"d":"0"}]
[{"$nulls":7},{"v":4.273656853210965,"d":"4"},null,"O",0.48885808488488,1.7693102581987152,0.03126738491450923,0.01666776752244664,0.5704286971516208,11.689154386201908,0.003690049545665847,4.380093131548312E-3,0.07432063109916437,0.2752252439665751,0.03869608367907438,0.03717736925144627,0,0,0,0,0.7866066289006654,0.32038660291189747,0.03708278349659214,0.05258432933051945,0.30925120687334157,6.952019071886387,1.259470549225977E-4,0,{"v":1.7388798155442406,"d":"2"},null,0.3856552708507747,2.249427006848469,0.020586580294525342,0.02195901898082703,0.3875094055680963,10.003762227238525,0.056433408577878104,0.011286681715575621,0.03967976098779264,0.23574446233923863,0.014004621525103284,0,0,0,0,0,0.5621421202924335,0.053822117900339375,5.980235322259931E-3,0.03289129427242962,0.2917651793349766,4.295990744001207,0.010060868252930228,0,null,null,"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":3.0998878695513783,"d":"3"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":1.6587251915956707,"d":"2"}]
[{"$nulls":7},{"v":80.20952238344611,"d":"80"},null,"P",3.8462221119824247,48.13352692065927,0.003724773427143119,0.008170576092661957,5.2422708562619444,27.516918980718113,0.025554309519363338,0.051252945126287815,2.3708267258809093,32.39883129784374,0.02246623268859931,0.03610205107228423,0,0,0,0,18.79291616983564,76.50498831196981,0.028627004561468893,0.03983117601875963,2.3973390148700875,88.41590175860311,0,0.08075462491308517,{"v":76.91832617377818,"d":"77"},null,1.7251554286812236,44.136255712776034,0.010979509490413515,0.019214141608223653,4.4883370955605715,16.27163280662152,0.033860045146726865,0.02633559066967645,2.9152953808090003,26.29834512055645,0,0.028009243050206568,0,0,0,0,11.046989699044657,83.14470674421038,0.004485176491694948,5.980235322259931E-3,3.4659691131344634,30.6705568690578,0.020121736505860455,0.05533477539111625,null,null,"RuPhos G4, MTBD_DMSO-tAmOH",{"v":51.674547782523504,"d":"52"},{"$nulls":8},"RuPhos G4, MTBD_DMSO-tAmOH",{"v":39.31478833257921,"d":"39"}]
[{"$nulls":7},{"v":55.813351304089544,"d":"56"},{"$nulls":26},{"v":25.45050299877853,"d":"25"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":29.8399510563902,"d":"30"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":12.48526796355435,"d":"12"}]
[{"$nulls":7},{"v":0.21550740293534143,"d":"0"},null,null,"scale",{"$nulls":23},{"v":0.08234632117810137,"d":"0"},{"$nulls":27},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":0.516090077043623,"d":"1"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":0.1870293842589042,"d":"0"}]
[{"$nulls":7},{"v":11.51714127158395,"d":"12"},null,null,100,100,{"$nulls":22},{"v":1.2846026103783814,"d":"1"},{"$nulls":27},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":5.793967332434416,"d":"6"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":1.487454131310854,"d":"1"}]
[{"$nulls":7},{"v":0.17002338413626272,"d":"0"},null,null,90,{"$nulls":23},{"v":0.009607070804111826,"d":"0"},{"$nulls":27},"RuPhos G4, Cs2CO3_DMSO-tAmOH",{"v":0.06752979086226116,"d":"0"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMSO-tAmOH",{"v":0.024988168142945875,"d":"0"}]
[{"$nulls":7},{"v":0.04958834661558696,"d":"0"},null,null,80,{"$nulls":23},{"v":0.009607070804111826,"d":"0"},{"$nulls":27},"tBuXphos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":0.056874415078004024,"d":"0"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":0.015909033836260057,"d":"0"}]
[{"$nulls":7},{"v":0.03126738491450923,"d":"0"},null,null,70,{"$nulls":23},{"v":0.020586580294525342,"d":"0"},{"$nulls":27},"tBu3P Pd G3, Cs2CO3_DMSO-tAmOH",{"v":0.014433233002337962,"d":"0"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMSO-tAmOH",{"v":0.01861221848951872,"d":"0"}]
[{"$nulls":7},{"v":0.003724773427143119,"d":"0"},null,null,60,{"$nulls":23},{"v":0.010979509490413515,"d":"0"},{"$nulls":27},"XantPhos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":0.01158121750159507,"d":"0"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMSO-tAmOH",{"v":0.013889293526939156,"d":"0"}]
[{"$nulls":7},{"$f":"N5","v":{"v":11.40369154363957,"d":"11"}},null,null,50,{"$nulls":23},{"$f":"AN5","v":{"v":8.16463774480875,"d":"8"}},{"$nulls":27},"RuPhos G4, DBU_DMF-tAmOH",{"$f":"BS4","v":{"v":3.3757708146593153,"d":"3"}},{"$nulls":8},"RuPhos G4, DBU_DMF-tAmOH",{"$f":"CC4","v":{"v":2.096148321388521,"d":"2"}}]
[{"$nulls":7},{"$f":"N6","v":{"v":26.945032559068395,"d":"27"}},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":18.328918655559065,"d":"18"}},{"$nulls":27},"tBuXphos Pd G4, DBU_DMF-tAmOH",{"v":6.808967582216836,"d":"7"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMF-tAmOH",{"$f":"CC5","v":{"v":4.334171897679719,"d":"4"}}]
[{"$nulls":7},{"v":0.016611921884362463,"d":"0"},null,null,30,{"$nulls":23},{"v":1.3724386863016894E-3,"d":"0"},{"$nulls":27},"tBu3P Pd G3, DBU_DMF-tAmOH",{"v":0.015018349797536723,"d":"0"},{"$nulls":8},"tBu3P Pd G3, DBU_DMF-tAmOH",{"v":2.3675701000513134E-3,"d":"0"}]
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[{"$nulls":7},{"v":41.32504454061391,"d":"41"},null,null,"scale",{"$nulls":23},{"v":46.082970021124545,"d":"46"},{"$nulls":27},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":49.04048973598426,"d":"49"},{"$nulls":8},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":38.241242188108735,"d":"38"}]
[{"$nulls":7},{"v":67.40419535480841,"d":"67"},null,null,100,100,{"$nulls":22},{"v":77.9495707672255,"d":"78"},{"$nulls":27},"XantPhos Pd G4, MTBD_DMAc",{"v":48.8755957687677,"d":"49"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMAc",{"v":43.28083285037109,"d":"43"}]
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[{"$nulls":7},{"v":43.94195219527572,"d":"44"},null,null,70,{"$nulls":23},{"v":38.96354892354712,"d":"39"},{"$nulls":27},"tBuBrettPhos Pd G4, P2ET_DMAc",{"v":44.02086552219404,"d":"44"},{"$nulls":8},"tBuBrettPhos Pd G4, P2ET_DMAc",{"v":32.27633244498451,"d":"32"}]
[{"$nulls":7},{"v":11.04521375212117,"d":"11"},null,null,60,{"$nulls":23},{"v":8.364420872848218,"d":"8"},{"$nulls":27},"XantPhos Pd G4, P2ET_DMAc",{"v":15.820508358765386,"d":"16"},{"$nulls":8},"XantPhos Pd G4, P2ET_DMAc",{"v":9.047151011972048,"d":"9"}]
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[{"$nulls":7},{"$f":"N6","v":{"v":43.69787435388393,"d":"44"}},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":40.428783316104095,"d":"40"}},{"$nulls":27},"tBuXphos Pd G4, DBU_NMP",{"v":47.612822004780206,"d":"48"},{"$nulls":8},"tBuXphos Pd G4, DBU_NMP",{"$f":"CC5","v":{"v":38.923212373048294,"d":"39"}}]
[{"$nulls":7},{"v":25.542658249157036,"d":"26"},null,null,30,{"$nulls":23},{"v":25.76295563845566,"d":"26"},{"$nulls":27},"tBuBrettPhos Pd G4, DBU_NMP",{"v":34.886702950531486,"d":"35"},{"$nulls":8},"tBuBrettPhos Pd G4, DBU_NMP",{"v":31.103755909585885,"d":"31"}]
[{"$nulls":7},{"v":8.607033882885702,"d":"9"},null,null,20,{"$nulls":23},{"v":8.849835947683042,"d":"9"},{"$nulls":27},"XantPhos Pd G4, DBU_NMP",{"v":4.0151310496884145,"d":"4"},{"$nulls":8},"XantPhos Pd G4, DBU_NMP",{"v":2.2330794570548735,"d":"2"}]
[{"$nulls":7},{"v":0.0349295110814614,"d":"0"},null,null,10,{"$nulls":23},0,{"$nulls":27},"cataCXium Pd G4,BTMG_NMP",{"v":0.1272616740641539,"d":"0"},{"$nulls":8},"cataCXium Pd G4,BTMG_NMP",{"v":4.924046581480661E-3,"d":"0"}]
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{"sheet":"31","index":31,"n_rows":387,"n_cols":81,"rows_kept":387,"merged":[[0,0,0,5],[0,6,1,59],[0,62,1,80]]}
["Data associated with Extended Data Fig 7i",{"$nulls":5},"Indomethacin 11 \nC-C coupling: 384 Data points",{"$nulls":55},"Indomethacin 11 \nC-C coupling:  64 conditions"]
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[{"$nulls":7},{"$f":"L6","v":{"v":16.527057811808398,"d":"17"}},{"$nulls":26},{"$f":"AL6","v":{"v":11.748251748251748,"d":"12"}},{"$nulls":27},"tBuXphos Pd G4, DBU_DMF-H2O",{"v":9.872099494717887,"d":"10"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMF-H2O",{"$f":"CA5","v":{"v":8.650900139565223,"d":"9"}}]
[{"$nulls":7},{"v":2.477111812417726,"d":"2"},{"$nulls":26},0,{"$nulls":27},"tBu3P Pd G3, DBU_DMF-H2O",{"v":0.7847640312440196,"d":"1"},{"$nulls":8},"tBu3P Pd G3, DBU_DMF-H2O",{"v":0.04137180185084376,"d":"0"}]
[{"$nulls":7},{"v":15.72815313777226,"d":"16"},{"$nulls":26},{"v":4.988344988344989,"d":"5"},{"$nulls":27},"XantPhos Pd G4, DBU_DMF-H2O",{"v":18.670725360968007,"d":"19"},{"$nulls":8},"XantPhos Pd G4, DBU_DMF-H2O",{"v":19.671763112339974,"d":"20"}]
[{"$nulls":7},{"v":73.41439177746736,"d":"73"},{"$nulls":26},{"v":41.16550116550116,"d":"41"},{"$nulls":27},"RuPhos G4, BTMG_DMF-H2O",{"v":73.08352347249954,"d":"73"},{"$nulls":8},"RuPhos G4, BTMG_DMF-H2O",{"v":75.41326921955799,"d":"75"}]
[{"$nulls":7},{"v":55.64877185116204,"d":"56"},{"$nulls":26},{"v":25.337995337995338,"d":"25"},{"$nulls":27},"tBuXphos Pd G4, BTMG_DMF-H2O",{"v":27.46828846525858,"d":"27"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMF-H2O",{"v":23.89199398483111,"d":"24"}]
[{"$nulls":7},{"v":35.426877334574996,"d":"35"},{"$nulls":26},{"v":9.603729603729604,"d":"10"},{"$nulls":27},"tBu3P Pd G3, BTMG_DMF-H2O",{"v":49.98340762977482,"d":"50"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMF-H2O",{"v":34.38554315314089,"d":"34"}]
[{"$nulls":7},{"v":72.33840918366761,"d":"72"},{"$nulls":26},100,{"$nulls":27},"XantPhos Pd G4, BTMG_DMF-H2O",{"v":63.028277479833335,"d":"63"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMF-H2O",{"v":60.51838911402418,"d":"61"}]
[{"$nulls":7},{"v":77.8662803731871,"d":"78"},null,"LC-MS",1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,{"v":53.96270396270396,"d":"54"},{"$nulls":27},"RuPhos G4, MTBD_DMF-H2O",{"v":73.31844106858564,"d":"73"},{"$nulls":8},"RuPhos G4, MTBD_DMF-H2O",{"v":76.73825679473023,"d":"77"}]
[{"$nulls":7},{"v":59.80519201430205,"d":"60"},null,"A",{"$f":"K5","v":65.38313759980686},{"$f":"L5","v":38.20481031955439},16.48615494277453,17.41722717160743,0,0,0,0,2.6726848498725926,5.992576105729831,3.866447733115437,4.048744766854525,16.24933317686361,38.98572025119348,0.3514399186039724,0.2747664570210626,36.14587047903092,63.85001122625527,2.0345495870298933,2.4603490344820136,8.295919783692225,12.781145947458752,1.4133262811695686,1.5974888925194757,{"v":21.678321678321677,"d":"22"},null,{"$f":"AK5","v":33.51981351981352},{"$f":"AL5","v":6.55011655011655},10.932400932400933,10.862470862470863,0,0,0,0,0,1.37801440651425,0,0,17.615677735438215,14.578116494284158,0,0,30.132149702410974,49.379602542116416,0.4438615958841925,0.3429839604559669,20.032706459525755,11.011174707004633,0,0,null,null,"tBuXphos Pd G4, MTBD_DMF-H2O",{"v":23.96861076312249,"d":"24"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMF-H2O",{"v":14.525543184781919,"d":"15"}]
[{"$nulls":7},{"v":53.358545880973324,"d":"53"},null,"B",{"$f":"K6","v":13.807866452825634},16.527057811808398,28.015405751863923,37.338584533314936,0,0,0,0,1.0835908317944971,0.7579980200205604,0.4887636210025805,0.21524646404767578,2.850578481282607,8.776659700983972,0.31300537437764564,0.052303321725185946,8.770911151693724,19.228526647047733,0.8848220308355816,0.01641828426799413,3.3414376535506984,4.070255293728762,1.7677904463588103,1.2279623550374952,{"v":46.45687645687646,"d":"46"},null,{"$f":"AK6","v":12.191142191142191},11.748251748251748,27.226107226107224,23.636363636363637,0,0,0,0,0.8455997494519261,0.46977763858440336,0,0,3.76701143168209,6.989657049537289,0,0,9.008372843740542,21.648340562897207,0,0,2.725538293813028,2.3984736985554647,0,0,null,null,"tBu3P Pd G3, MTBD_DMF-H2O",{"v":35.24309909143506,"d":"35"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMF-H2O",{"v":19.25503303561581,"d":"19"}]
[{"$nulls":7},{"v":88.2024476750536,"d":"88"},null,"C",0.32526563999977004,2.477111812417726,0.049890262760043914,0.086110794948293,0,0,0,0,0.009537889256861144,0.125054035390166,0.009491834378428132,0,0.004589546948661647,0.8156692714507484,1.0169142184515932E-3,0.00563362494683405,0.08147518997585454,0.14059872560990982,0.09499260988222638,0.03302843544422952,0.03593549621513726,0.36538631135154864,0.04202832483701967,0.784952796836964,{"v":52.37762237762238,"d":"52"},null,0,0,0,0,0,0,0,0,0,0,0,0,0,0.20685900925421882,0,0,0,0,0,0,0,0,0,0,null,null,"XantPhos Pd G4, MTBD_DMF-H2O",{"v":70.82447810462524,"d":"71"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMF-H2O",{"v":47.028229017904074,"d":"47"}]
[{"$nulls":7},{"v":82.27594120521266,"d":"82"},null,"D",6.752199492989808,15.72815313777226,8.25137744666908,23.211320330418886,0,0,0,0,1.7825796903691105,1.1751915301206082,1.8576075476062484,1.1836016626433479,2.794170152486499,9.421480175802076,1.6122389507156107,0.25392856164212196,13.58630228763467,63.28123030152401,10.485269159975939,23.208297151172633,1.8773972153463705,3.747571659621074,0.9926774252309224,1.1889607447153756,{"v":68.48484848484848,"d":"68"},null,1.5151515151515151,4.988344988344989,0,16.153846153846153,0,0,0,0,1.0021922956467273,0,0,0,0,5.029940119760479,0.4463799673380512,0,18.34964188439423,86.8959951578735,1.0087763542822556,1.8763240189649955,0,1.4445352957209048,0,0,null,null,"RuPhos G4, Cs2CO3_DMF-H2O",{"v":79.16847657927806,"d":"79"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMF-H2O",{"v":87.8033045127836,"d":"88"}]
[{"$nulls":7},{"v":61.327423962842246,"d":"61"},null,"E",76.3699794781589,73.41439177746736,81.91728610435672,92.6695811589954,0,0,0,0,38.69110272130912,50.89923273851833,58.73100398338394,83.04233962931528,53.44669870721854,87.98382504143072,100,82.24793382522014,63.55578728467502,65.00470061918502,90.40682268159819,59.23784532741644,45.99719213387431,88.11546718589632,100,89.89475735235028,{"v":46.22377622377623,"d":"46"},null,60.163170163170165,41.16550116550116,39.48717948717949,89.6037296037296,0,0,0,0,31.81960538678359,48.32445975571563,88.63138114625744,16.911994989038522,46.608600979858466,88.44855743059335,35.5688622754491,42.66739248775177,41.975184101684654,100,82.30606274588924,64.38010693029355,61.624420823112565,99.12782774597983,61.597165440174436,100,null,null,"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":42.89207494841376,"d":"43"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMF-H2O",{"v":28.595661891693005,"d":"29"}]
[{"$nulls":7},{"v":3.2124969619627386,"d":"3"},null,"F",63.810917435517155,55.64877185116204,61.29775064525957,66.97068883255443,0,0,0,0,7.565758509066665,17.584912809073572,11.798589085287706,12.194639015068711,14.731084180315078,17.74387164875803,37.41394788605032,3.9422449791684784,27.06550792501582,24.532531526566604,54.52354451900599,16.82006116207951,18.602846104376084,21.83135449073267,59.310515741090484,3.71140630377702,0,null,51.3053613053613,25.337995337995338,59.836829836829835,39.44055944055944,0,0,0,0,3.351080488568744,16.66144691512684,10.710930159724397,3.2571249608518635,5.824714207947741,18.454001088731626,18.19270549809472,1.633097441480675,30.65671340663775,31.8874205588621,21.446585292040755,10.228992232422073,15.290269828291088,27.11910602343963,53.883892068683565,24.557100027255384,null,null,"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":22.575600267166482,"d":"23"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":18.94054812015643,"d":"19"}]
[{"$nulls":7},{"v":52.93063967211041,"d":"53"},null,"G",4.030262139215112,35.426877334574996,2.2060105885801993,0.9597253637309513,0,0,0,0,0.8780548244948678,46.797720802153584,8.750914212675516,24.964652794363325,1.0745391986446704,94.12219888414052,6.534437358298594,0.007966374100050872,0.9928730688739766,11.825933153953383,2.671112599940687,14.984431837419809,0.5994861851595873,61.744307974051615,4.541905201111762,15.690106150214673,{"v":31.63170163170163,"d":"32"},null,0.9324009324009324,9.603729603729604,0.16317016317016317,0,0,0,0,0,0,55.71562793611024,0.9395552771688067,9.70873786407767,0,21.04518236254763,3.146434403919434,1.6548720740337506,0.36315948754161204,18.732976899021487,2.5320286492484616,19.711489962675277,0,66.83019896429545,0,16.898337421640775,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":62.8338238204332,"d":"63"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":62.1675331658484,"d":"62"}]
[{"$nulls":7},{"$f":"M5","v":{"v":16.48615494277453,"d":"16"}},null,"H",25.934301412385537,72.33840918366761,37.143687424192784,89.94834474393686,0,0,0,0,26.04123961960814,46.533432531115785,29.300238131727845,43.70118284452321,26.39867219155707,62.83802821935467,26.645385672059316,14.621190190539618,33.956351503057505,54.04166201407424,24.621388525686513,63.356236094752,22.72689589209788,79.38985545095436,23.057897972978445,93.11775295007672,{"$f":"AM5","v":{"v":10.932400932400933,"d":"11"}},null,18.71794871794872,100,42.7039627039627,7.599067599067599,0,0,0,0,28.405887879736923,72.37707485123708,4.948324459755716,38.20858127153147,26.597713663581928,37.920522591181275,23.494828524768643,63.77789874795863,33.07777665691516,52.91031978210431,6.889942499747806,52.94058307273278,36.65849005178523,39.38402834559825,5.641864268192968,47.097301717089124,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":{"v":4.83038369253868,"d":"5"}},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":2.2752525056570247,"d":"2"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":28.015405751863923,"d":"28"}},null,"I",83.74378744661159,77.8662803731871,90.67024797512086,100,0,0,0,0,43.64420203396945,49.763579771017014,100,85.38701527305278,35.68777457160456,82.04323002360151,85.60896756191971,39.81571966741049,34.677233178326965,64.51601032095084,100,62.124391711061406,43.411059829671316,92.40310485417169,99.26665573667309,90.7872914522456,{"$f":"AM6","v":{"v":27.226107226107224,"d":"27"}},null,71.37529137529137,53.96270396270396,72.47086247086247,51.58508158508158,0,0,0,0,51.64422173504541,84.93579705606012,74.2561854055747,20.513623551518947,56.058791507893304,80.46815459989112,61.752857920522594,29.080021774632552,48.24977302532029,94.16927267224857,78.8459598507011,72.78321396146474,77.32352139547561,70.15535568274734,41.509948214772415,9.920959389479423,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":6.293957444887708,"d":"6"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":5.445221445221445,"d":"5"}}]
[{"$nulls":7},{"v":0.049890262760043914,"d":"0"},null,"J",63.4690764021821,59.80519201430205,47.68497536804226,55.78163501014595,0,0,0,0,3.9227108205712136,7.66246901690036,7.687957798932941,4.812498159922626,9.907717789773791,12.048135051640967,8.80839634813958,0.23975562129402053,18.155364168914918,24.5190585314137,36.46230079400242,3.310784769273439,18.90134853993184,15.808199201355357,30.506331355300805,11.355978081611207,0,null,48.904428904428904,21.678321678321677,24.382284382284382,32.7039627039627,0,0,0,0,4.572502348888193,5.637331663012841,5.606013153773881,0,5.748502994011976,8.524768644529123,5.12792596624932,0.8274360370168753,14.193483304751336,21.497024109754868,23.776858670432766,3.8737012004438616,10.738620877623331,15.290269828291088,38.56636685745435,2.343962932679204,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":0.03948398921523394,"d":"0"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",0]
[{"$nulls":7},{"v":8.25137744666908,"d":"8"},null,"K",1.4989786446387408,53.358545880973324,2.5163477331125943,0.9769254488074913,0,0,0,0,0.13290445592185954,1.8604638144624592,5.445987749644368,5.028791542637023,0.5894228649924406,58.91193502614514,9.736698802530043,0.008714569436220518,1.0596897231137188,3.0189096244427396,7.904606702854831,1.4151975400693266,1.0311264663103736,59.065641111151656,8.811106555752323,2.817798464634601,0,null,0,46.45687645687646,1.491841491841492,0,0,0,0,0,0,0,2.630754776072659,0,0.4899292324442025,17.82253674469243,13.140990745781165,0,0.46403712296983757,4.549581357812973,5.891253909008372,0,0,27.44617061869719,15.53556827473426,2.2076860179885527,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":4.63983410603956,"d":"5"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":0.2910312643240614,"d":"0"}]
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[{"$nulls":7},{"$f":"N5","v":{"v":17.41722717160743,"d":"17"}},null,null,50,{"$nulls":23},{"$f":"AN5","v":{"v":10.862470862470863,"d":"11"}},{"$nulls":27},"RuPhos G4, DBU_DMF-tAmOH",{"$f":"BS4","v":{"v":5.159715264496901,"d":"5"}},{"$nulls":8},"RuPhos G4, DBU_DMF-tAmOH",{"$f":"CC4","v":{"v":2.241090964585366,"d":"2"}}]
[{"$nulls":7},{"$f":"N6","v":{"v":37.338584533314936,"d":"37"}},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":23.636363636363637,"d":"24"}},{"$nulls":27},"tBuXphos Pd G4, DBU_DMF-tAmOH",{"v":7.770102991678657,"d":"8"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMF-tAmOH",{"$f":"CC5","v":{"v":4.7272727272727275,"d":"5"}}]
[{"$nulls":7},{"v":0.086110794948293,"d":"0"},null,null,30,{"$nulls":23},0,{"$nulls":27},"tBu3P Pd G3, DBU_DMF-tAmOH",{"v":0.1819451304352641,"d":"0"},{"$nulls":8},"tBu3P Pd G3, DBU_DMF-tAmOH",0]
[{"$nulls":7},{"v":23.211320330418886,"d":"23"},null,null,20,{"$nulls":23},{"v":16.153846153846153,"d":"16"},{"$nulls":27},"XantPhos Pd G4, DBU_DMF-tAmOH",{"v":9.809221690118473,"d":"10"},{"$nulls":8},"XantPhos Pd G4, DBU_DMF-tAmOH",{"v":3.60603403456223,"d":"4"}]
[{"$nulls":7},{"v":92.6695811589954,"d":"93"},null,null,10,{"$nulls":23},{"v":89.6037296037296,"d":"90"},{"$nulls":27},"RuPhos G4, BTMG_DMF-tAmOH",{"v":81.41849145865952,"d":"81"},{"$nulls":8},"RuPhos G4, BTMG_DMF-tAmOH",{"v":62.712644802162686,"d":"63"}]
[{"$nulls":7},{"v":66.97068883255443,"d":"67"},null,null,0,0,{"$nulls":22},{"v":39.44055944055944,"d":"39"},{"$nulls":27},"tBuXphos Pd G4, BTMG_DMF-tAmOH",{"v":20.727808058529632,"d":"21"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMF-tAmOH",{"v":15.823374820513886,"d":"16"}]
[{"$nulls":7},{"v":0.9597253637309513,"d":"1"},{"$nulls":26},0,{"$nulls":27},"tBu3P Pd G3, BTMG_DMF-tAmOH",{"v":11.321376503965762,"d":"11"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMF-tAmOH",{"v":9.594687464485494,"d":"10"}]
[{"$nulls":7},{"v":89.94834474393686,"d":"90"},{"$nulls":26},{"v":7.599067599067599,"d":"8"},{"$nulls":27},"XantPhos Pd G4, BTMG_DMF-tAmOH",{"v":60.94894136476569,"d":"61"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMF-tAmOH",{"v":41.92468648167592,"d":"42"}]
[{"$nulls":7},100,{"$nulls":26},{"v":51.58508158508158,"d":"52"},{"$nulls":27},"RuPhos G4, MTBD_DMF-tAmOH",{"v":75.62288362075405,"d":"76"},{"$nulls":8},"RuPhos G4, MTBD_DMF-tAmOH",{"v":36.77658005243545,"d":"37"}]
[{"$nulls":7},{"v":55.78163501014595,"d":"56"},{"$nulls":26},{"v":32.7039627039627,"d":"33"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMF-tAmOH",{"v":15.100130328449449,"d":"15"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMF-tAmOH",{"v":7.949812574820529,"d":"8"}]
[{"$nulls":7},{"v":0.9769254488074913,"d":"1"},{"$nulls":26},0,{"$nulls":27},"tBu3P Pd G3, MTBD_DMF-tAmOH",{"v":2.0494855131169323,"d":"2"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMF-tAmOH",{"v":0.44153720359771054,"d":"0"}]
[{"$nulls":7},{"v":69.2086272210438,"d":"69"},{"$nulls":26},{"v":80.27972027972028,"d":"80"},{"$nulls":27},"XantPhos Pd G4, MTBD_DMF-tAmOH",{"v":48.065525623825195,"d":"48"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMF-tAmOH",{"v":47.618203463027655,"d":"48"}]
[{"$nulls":7},{"v":0.2631788044446744,"d":"0"},{"$nulls":26},0,{"$nulls":27},"RuPhos G4, Cs2CO3_DMF-tAmOH",{"v":0.12960440558440184,"d":"0"},{"$nulls":8},"RuPhos G4, Cs2CO3_DMF-tAmOH",0]
[{"$nulls":7},{"v":0.9620882841556441,"d":"1"},{"$nulls":26},0,{"$nulls":27},"tBuXphos Pd G4, Cs2CO3_DMF-tAmOH",{"v":0.29030055573561026,"d":"0"},{"$nulls":8},"tBuXphos Pd G4, Cs2CO3_DMF-tAmOH",0]
[{"$nulls":7},{"v":1.2344405470191595,"d":"1"},{"$nulls":26},0,{"$nulls":27},"tBu3P Pd G3, Cs2CO3_DMF-tAmOH",{"v":0.3034882757000876,"d":"0"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-tAmOH",0]
[{"$nulls":7},{"v":0.2110923712786199,"d":"0"},{"$nulls":26},0,{"$nulls":27},"XantPhos Pd G4, Cs2CO3_DMF-tAmOH",{"v":0.09294581731218232,"d":"0"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-tAmOH",0]
[{"$nulls":7},{"$f":"O5","v":0},{"$nulls":26},{"$f":"AO5","v":0}]
[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},{"$f":"P5","v":0},{"$nulls":26},{"$f":"AP5","v":0}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},{"$f":"P14","v":0},{"$nulls":26},0]
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[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},{"$f":"Q5","v":0},{"$nulls":26},{"$f":"AQ5","v":0}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},{"$f":"R5","v":0},{"$nulls":26},{"$f":"AR5","v":0}]
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[{"$nulls":7},{"$f":"S5","v":{"v":2.6726848498725926,"d":"3"}},{"$nulls":26},{"$f":"AS5","v":0}]
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[{"$nulls":7},45,null,"C",0,70,1,0,0,0,0,0,0,17,0,4,0,9,0,3,0,20,0,0,0,17,0,5,{"v":33.8347760315993,"d":"34"},null,0,62.73636440036978,0,1.529540297503992,0,0,0,0,0,7.2780842527582745,0,1.7552657973921766,0,3.775854579476727,0,1.0191465900357537,0,7.234279354479688,0.10202188833240586,2.66184381376368,0,5.687290908422485,0,1.7940516892761296,null,null,"DPP-Cl, 2,6-Lutidine_DMF",{"v":27.5,"d":"28"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_DMF",{"v":18.785047903441406,"d":"19"}]
[{"$nulls":7},53,null,"D",1,81,83,42,0,0,0,0,1,95,100,69,1,56,59,27,1,70,69,39,1,34,44,20,{"v":37.50525254223044,"d":"38"},null,0,63.948651147155225,60.566013950752165,32.86830826119842,0,0,0,0,0,86.50952858575727,93.52432296890672,71.46439317953862,0,27.49356768135797,34.226618104053195,12.19634443813279,0,52.216657391949546,49.09107772212948,24.35540716008162,0,12.631888533509798,17.591265027021066,9.8084629241572,null,null,"HATU, DIPEA_DMF",{"v":70.33333333333333,"d":"70"},{"$nulls":8},"HATU, DIPEA_DMF",{"v":57.18549826081431,"d":"57"}]
[{"$nulls":7},74,null,"E",19,33,83,54,0,0,0,0,26,93,76,46,45,98,92,71,34,95,87,59,52,97,92,70,{"v":84.93150684931507,"d":"85"},null,16.055971090007564,19.678124212118664,75.18909152029582,52.7712412807799,0,0,0,0,14.669007021063189,100,47.812186559679034,21.583500501504513,26.103518561833795,83.69699602365756,80.01470244261036,42.650449426938884,22.630309775551847,87.590428491931,61.19458356520126,42.94194027082174,30.451086357119223,73.15907503400611,80.54850924598361,39.59780890408441,null,null,"PyBOP, DIPEA_DMF",{"v":64.33333333333333,"d":"64"},{"$nulls":8},"PyBOP, DIPEA_DMF",{"v":47.748400164700406,"d":"48"}]
[{"$nulls":7},24,null,"F",12,85,69,26,0,0,0,0,15,50,37,14,25,81,67,34,25,89,82,36,29,81,69,33,{"v":24.460038658710815,"d":"24"},null,8.22968316665266,71.8295655097067,60.471468190604256,23.00823598621733,0,0,0,0,6.243731193580742,21.14468405215647,11.277582748244734,5.49147442326981,8.042904400708391,68.27279713970663,34.554081598556486,12.904734854813379,14.450009274717122,84.70599146726025,62.947505101094414,21.304025227230568,11.521635233998751,51.84000588213669,31.329730524613066,16.164846880629387,null,null,"BOP-Cl, DIPEA_DMF",{"v":11.333333333333334,"d":"11"},{"$nulls":8},"BOP-Cl, DIPEA_DMF",{"v":7.633005441494615,"d":"8"}]
[{"$nulls":7},21,null,"G",0,46,1,1,0,0,0,0,0,4,13,2,0,6,0,2,0,14,20,4,0,11,1,2,{"v":11.809815950920246,"d":"12"},null,0.012606101353054878,52.18505756786285,8.139339440289099,1.5505504664257501,0,0,0,0,0.012537612838515547,1.2913741223671014,5.409979939819459,0.3510531594784353,0,2.0449761085307583,0,0.2439268887626558,0,4.739380448896308,9.154145798553143,1.2242626599888704,0.011029006286533583,3.0329767287967355,0.0661740377192015,0.6470350354766369,null,null,"DPP-Cl, DIPEA_DMF",{"v":19.333333333333332,"d":"19"},{"$nulls":8},"DPP-Cl, DIPEA_DMF",{"v":10.919590586794376,"d":"11"}]
[{"$nulls":7},{"$f":"M5","v":82},null,"H",1,68,69,31,0,0,0,0,1,25,17,4,1,24,17,6,0,61,64,38,0,10,10,3,{"$f":"AM5","v":{"v":95.48911673249853,"d":"95"}},null,0.0315152533826372,35.97361122783427,55.84923102781747,22.73720480712665,0,0,0,0,6.2688064192577735E-3,13.145687061183551,9.252758274824473,1.328986960882648,0,6.3721722858956795,4.537708423831323,1.1427807665318943,0.12057132257466148,54.071600816175106,51.97551474680022,19.940641810424783,0.011029006286533583,3.213117164810117,2.21683026359325,2.80136759677953,null,null,"HATU, NMI_DMAc",{"$f":"BR4","v":67},{"$nulls":8},"HATU, NMI_DMAc",{"$f":"CB4","v":{"v":55.67868837772193,"d":"56"}}]
[{"$nulls":7},{"$f":"M6","v":72},null,"I",0,100,84,50,0,0,0,0,24,96,79,43,39,100,91,73,21,97,84,71,48,100,93,74,{"$f":"AM6","v":{"v":57.93343978485587,"d":"58"}},null,6.355576098831834,100,78.46667787209009,35.68577191360619,0,0,0,0,17.42101303911735,86.61609829488465,53.1030591775326,29.156218655967905,18.301199585658434,100,70.55501720854079,47.9099141243693,9.831200148395475,79.44722685958078,78.19514004822852,54.96197365980338,25.95860446307121,100,95.90823866769604,42.94327414433293,null,null,"PyBOP, NMI_DMAc",{"v":56.166666666666664,"d":"56"},{"$nulls":8},"PyBOP, NMI_DMAc",{"$f":"CB5","v":{"v":38.822762667114404,"d":"39"}}]
[{"$nulls":7},1,null,"J",7,78,70,27,0,0,0,0,15,46,36,16,24,87,74,42,18,88,87,52,28,84,74,43,0,null,3.5591226153458275,69.96386250945457,69.28103201949743,22.277082107740146,0,0,0,0,6.087011033099298,22.43605817452357,15.490220661985958,4.714142427281845,14.127710762856283,59.06038025862933,45.17993784876533,16.710662612356735,8.820255982192544,72.87145242070117,54.646633277685034,20.65479502875162,9.076872173817138,53.225984338811074,45.288776147935735,23.35208264402044,null,null,"BOP-Cl, NMI_DMAc",{"v":0.16666666666666666,"d":"0"},{"$nulls":8},"BOP-Cl, NMI_DMAc",{"v":0.017003648055400975,"d":"0"}]
[{"$nulls":7},83,null,"K",0,0,18,0,0,0,0,0,0,5,29,15,0,5,5,7,0,12,24,16,0,8,6,9,{"v":60.566013950752165,"d":"61"},null,0.0315152533826372,7.277922514497017,14.98865450878225,4.72728800739558,0,0,0,0,0.0689568706118355,2.852306920762287,17.007271815446337,10.199348044132398,0.01670732114812711,1.2998295853242892,1.4468540114278077,3.254586159655161,0,6.622148024485253,11.862363197922463,9.283991838248934,0,3.209440829381273,1.4190654755339878,6.356383956472189,null,null,"DPP-Cl, NMI_DMAc",{"v":59.166666666666664,"d":"59"},{"$nulls":8},"DPP-Cl, NMI_DMAc",{"v":42.49988296214377,"d":"42"}]
[{"$nulls":7},83,null,"L",1,45,53,18,0,0,0,0,0,8,15,4,0,26,36,{"$f":"Z16","v":13},0,59,65,31,0,27,38,14,{"v":75.18909152029582,"d":"75"},null,0.058828472980922766,33.8347760315993,41.55811412723758,11.755189511723675,0,0,0,0,0,3.8365095285857573,6.820461384152457,1.4292878635907724,0.026731713837003374,9.753734086276607,13.62649112841247,{"$f":"AZ16","v":6.3554649647475525},0,51.929141161194586,56.17696160267112,20.979410127991095,0,13.356126612992169,15.697952281166133,6.304915260468365,null,null,"HATU, NMM_DMAc",{"v":71.66666666666667,"d":"72"},{"$nulls":8},"HATU, NMM_DMAc",{"v":57.45984555562834,"d":"57"}]
[{"$nulls":7},69,null,"M",{"$f":"K17","v":0},53,90,46,0,0,0,0,24,87,86,41,36,96,94,66,21,87,89,63,45,99,94,67,{"v":60.471468190604256,"d":"60"},null,{"$f":"AK17","v":4.6432473317085465},37.50525254223044,96.3694428103202,41.0097487183797,0,0,0,0,14.857071213640923,58.25601805416249,58.47542627883651,23.257271815446337,17.018077321482274,77.03077488555485,68.83416313028368,47.8965482674508,9.181969949916528,100,68.9760712298275,44.84325728065294,24.46233594353149,70.32094408293813,46.902687401198484,34.97297893459799,null,null,"PyBOP, NMM_DMAc",54,{"$nulls":8},"PyBOP, NMM_DMAc",{"v":33.43006136051883,"d":"33"}]
[{"$nulls":7},1,null,"N",5,74,74,32,0,0,0,0,11,46,46,16,22,86,79,43,16,92,100,48,28,88,79,39,{"v":8.139339440289099,"d":"8"},null,2.7502311118581395,84.93150684931507,56.737961173207836,17.776703924699554,0,0,0,0,4.977432296890672,30.20937813440321,16.913239719157474,6.218655967903711,7.755538476960604,45.029571958432186,47.13803588732583,14.909613392588632,8.310146540530514,70.64552031163049,77.60155815247634,35.33667223149694,11.793684055733245,55.67442373442153,37.550090070218005,20.1867578397853,null,null,"BOP-Cl, NMM_DMAc",{"v":5.833333333333333,"d":"6"},{"$nulls":8},"BOP-Cl, NMM_DMAc",{"v":3.794939869396817,"d":"4"}]
[{"$nulls":7},69,null,"O",0,24,0,0,0,0,0,0,0,12,16,8,0,6,1,2,0,19,2,11,0,7,2,3,{"v":55.84923102781747,"d":"56"},null,0.016808135137406505,24.460038658710815,5.9080595007983865,5.9815950920245395,0,0,0,0,0.025075225677031094,7.1150952858575724,7.861083249749248,3.9744232698094284,0,1.5671467236943228,0.2606342099107829,1.1060246600060146,0,10.971990354294194,8.36579484325728,4.247820441476535,0.003676335428844528,1.6837616264107937,0.27204882173449507,1.2021616852321606,null,null,"DPP-Cl, NMM_DMAc",{"v":29.5,"d":"30"},{"$nulls":8},"DPP-Cl, NMM_DMAc",{"v":20.63867378947779,"d":"21"}]
[{"$nulls":7},84,null,"P",1,21,50,28,0,0,0,0,1,5,16,7,2,24,28,13,0,44,42,34,1,22,28,17,{"v":78.46667787209009,"d":"78"},null,0.5420623581813597,11.809815950920246,31.15808051096731,20.812673333893603,0,0,0,0,0.1191073219658977,2.6642427281845538,9.566198595787363,3.1970912738214645,0.36087813679954556,8.610953319744713,10.097904901928025,5.496708657733819,1.0387683175663143,36.20849564088295,47.95956223335188,22.027453162678537,0.132348075438403,6.224035881033785,8.143082974890628,8.253373037755965,null,null,"HATU, 2,6-Lutidine_DMAc",{"v":71.83333333333333,"d":"72"},{"$nulls":8},"HATU, 2,6-Lutidine_DMAc",{"v":62.70468882901468,"d":"63"}]
[{"$nulls":7},70,{"$nulls":26},{"v":69.28103201949743,"d":"69"},{"$nulls":27},"PyBOP, 2,6-Lutidine_DMAc",{"v":56.833333333333336,"d":"57"},{"$nulls":8},"PyBOP, 2,6-Lutidine_DMAc",{"v":38.31443332597825,"d":"38"}]
[{"$nulls":7},18,null,null,"scale",{"$nulls":23},{"v":14.98865450878225,"d":"15"},{"$nulls":27},"BOP-Cl, 2,6-Lutidine_DMAc",{"v":13.666666666666666,"d":"14"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_DMAc",{"v":7.787368168185474,"d":"8"}]
[{"$nulls":7},53,null,null,100,100,{"$nulls":22},{"v":41.55811412723758,"d":"42"},{"$nulls":27},"DPP-Cl, 2,6-Lutidine_DMAc",{"v":34.5,"d":"35"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_DMAc",{"v":22.31333008727329,"d":"22"}]
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[{"$nulls":7},50,null,null,60,{"$nulls":23},{"v":31.15808051096731,"d":"31"},{"$nulls":27},"DPP-Cl, DIPEA_DMAc",{"v":27.333333333333332,"d":"27"},{"$nulls":8},"DPP-Cl, DIPEA_DMAc",{"v":17.820804869487535,"d":"18"}]
[{"$nulls":7},{"$f":"N5","v":26},null,null,50,{"$nulls":23},{"$f":"AN5","v":{"v":15.583242289268005,"d":"16"}},{"$nulls":27},"HATU, NMI_NMP",{"$f":"BS4","v":29},{"$nulls":8},"HATU, NMI_NMP",{"$f":"CC4","v":{"v":15.746994472367817,"d":"16"}}]
[{"$nulls":7},{"$f":"N6","v":21},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":19.5100428607446,"d":"20"}},{"$nulls":27},"PyBOP, NMI_NMP",{"v":22.666666666666668,"d":"23"},{"$nulls":8},"PyBOP, NMI_NMP",{"$f":"CC5","v":{"v":12.79370717947787,"d":"13"}}]
[{"$nulls":7},0,null,null,30,{"$nulls":23},{"v":1.529540297503992,"d":"2"},{"$nulls":27},"BOP-Cl, NMI_NMP",2,{"$nulls":8},"BOP-Cl, NMI_NMP",{"v":1.4599746979952888,"d":"1"}]
[{"$nulls":7},42,null,null,20,{"$nulls":23},{"v":32.86830826119842,"d":"33"},{"$nulls":27},"DPP-Cl, NMI_NMP",{"v":32.833333333333336,"d":"33"},{"$nulls":8},"DPP-Cl, NMI_NMP",{"v":25.11548599385144,"d":"25"}]
[{"$nulls":7},54,null,null,10,{"$nulls":23},{"v":52.7712412807799,"d":"53"},{"$nulls":27},"HATU, NMM_NMP",50,{"$nulls":8},"HATU, NMM_NMP",{"v":33.257490064021574,"d":"33"}]
[{"$nulls":7},26,null,null,0,0,{"$nulls":22},{"v":23.00823598621733,"d":"23"},{"$nulls":27},"PyBOP, NMM_NMP",{"v":23.833333333333332,"d":"24"},{"$nulls":8},"PyBOP, NMM_NMP",{"v":13.145552895360078,"d":"13"}]
[{"$nulls":7},1,{"$nulls":26},{"v":1.5505504664257501,"d":"2"},{"$nulls":27},"BOP-Cl, NMM_NMP",{"v":1.8333333333333333,"d":"2"},{"$nulls":8},"BOP-Cl, NMM_NMP",{"v":0.6694713683553913,"d":"1"}]
[{"$nulls":7},31,{"$nulls":26},{"v":22.73720480712665,"d":"23"},{"$nulls":27},"DPP-Cl, NMM_NMP",{"v":13.666666666666666,"d":"14"},{"$nulls":8},"DPP-Cl, NMM_NMP",{"v":7.99183032362425,"d":"8"}]
[{"$nulls":7},50,{"$nulls":26},{"v":35.68577191360619,"d":"36"},{"$nulls":27},"HATU, 2,6-Lutidine_NMP",{"v":51.833333333333336,"d":"52"},{"$nulls":8},"HATU, 2,6-Lutidine_NMP",{"v":35.10952541634662,"d":"35"}]
[{"$nulls":7},27,{"$nulls":26},{"v":22.277082107740146,"d":"22"},{"$nulls":27},"PyBOP, 2,6-Lutidine_NMP",30,{"$nulls":8},"PyBOP, 2,6-Lutidine_NMP",{"v":14.618127470025131,"d":"15"}]
[{"$nulls":7},0,{"$nulls":26},{"v":4.72728800739558,"d":"5"},{"$nulls":27},"BOP-Cl, 2,6-Lutidine_NMP",{"v":7.833333333333333,"d":"8"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_NMP",{"v":5.636933000984044,"d":"6"}]
[{"$nulls":7},18,{"$nulls":26},{"v":11.755189511723675,"d":"12"},{"$nulls":27},"DPP-Cl, 2,6-Lutidine_NMP",{"v":13.333333333333334,"d":"13"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_NMP",{"v":7.804044621420243,"d":"8"}]
[{"$nulls":7},46,{"$nulls":26},{"v":41.0097487183797,"d":"41"},{"$nulls":27},"HATU, DIPEA_NMP",{"v":47.166666666666664,"d":"47"},{"$nulls":8},"HATU, DIPEA_NMP",{"v":31.996634169421295,"d":"32"}]
[{"$nulls":7},32,{"$nulls":26},{"v":17.776703924699554,"d":"18"},{"$nulls":27},"PyBOP, DIPEA_NMP",{"v":29.666666666666668,"d":"30"},{"$nulls":8},"PyBOP, DIPEA_NMP",{"v":15.738067226079023,"d":"16"}]
[{"$nulls":7},0,{"$nulls":26},{"v":5.9815950920245395,"d":"6"},{"$nulls":27},"BOP-Cl, DIPEA_NMP",4,{"$nulls":8},"BOP-Cl, DIPEA_NMP",{"v":2.7520041914247795,"d":"3"}]
[{"$nulls":7},28,{"$nulls":26},{"v":20.812673333893603,"d":"21"},{"$nulls":27},"DPP-Cl, DIPEA_NMP",{"v":16.5,"d":"17"},{"$nulls":8},"DPP-Cl, DIPEA_NMP",{"v":9.964549910980564,"d":"10"}]
[{"$nulls":7},{"$f":"O5","v":0},{"$nulls":26},{"$f":"AO5","v":0}]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
[{"$nulls":7},0,{"$nulls":26},0]
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[{"$nulls":7},{"v":0.01929397499297718,"d":"0"},null,"D",0,0.2686761214258703,0.1444465905498425,0.33166030383071954,0,0,0,0,0.8214976518081484,0.900754249763109,0.7771085118108428,0.941080601882488,0.32354657897126166,0.01250158385940964,0.165575160135896,0.3388852105971348,1.808143412868007,2.6725986569570046,2.2476451865944154,2.269747069920185,0.22839209592189197,0.18956571195821928,0.1657842533620225,0.19715956328797762,{"v":0.2078862660944206,"d":"0"},null,0.22800429184549356,0.17435622317596566,0.17435622317596566,0.24141630901287553,0,0,0,0,0.49687154950312845,0.5152741994847257,0.23923444976076555,0.5336768494663231,0.09545020680878141,0.11666136387739952,0.12726694241170855,0.07423904974016332,2.3076923076923075,0.7692307692307693,1.9230769230769231,0.7692307692307693,0.058563248308172826,0.0715773034877668,0,0.08459135866736076,null,null,"cataCXium Pd G4, P2ET_DMF",{"v":0.24161397696746373,"d":"0"},{"$nulls":8},"cataCXium Pd G4, P2ET_DMF",{"v":0.17672956081119082,"d":"0"}]
[{"$nulls":7},100,null,"E",0.09243776409357722,0.417053656121776,0.3040092170881338,0.29828959589010823,0,0,0,0,0.22677252361853595,0.24366974961780014,0.29970008959871003,0.26852992883543136,0.2960280862781425,0.18992009518329114,0.4072471580196345,1.341753196542929,0.018590375893750732,0.00803325248627253,0.03485668430875763,0.148068777105555,0.27203987897709986,0.2714773457177121,0.36943740206203535,0.8156164396893832,100,null,0.18776824034334763,0.09388412017167382,0.12070815450643776,0.2749463519313305,0,0,0,0,0.2760397497239602,0.1472211998527788,0.1104158998895841,0.2576370997423629,0.18029483508325378,0.10605578534309047,0.07423904974016332,0.4666454555095981,4.615384615384615,4.615384615384615,3.4615384615384617,0,0.19521082769390943,0.006507027589796981,0.1301405517959396,0.33185840707964603,null,null,"tBuXphos Pd G4, P2ET_DMF",{"v":83.81598911312827,"d":"84"},{"$nulls":8},"tBuXphos Pd G4, P2ET_DMF",{"v":82.86142159082068,"d":"83"}]
[{"$nulls":7},{"v":38.71759687159322,"d":"39"},null,"F",0.7117789755578082,24.17715291439844,13.702084434765494,12.007185235884064,0,0,0,0,0.5667346228276123,79.00742843476364,43.78250292594721,51.702214193404146,1.0116718306514572,33.936868062863525,33.413429364122656,28.227724369575444,0.06848633664635974,3.409463093366835,1.5194921161592938,1.4503997170853784,0.5045732117121283,12.19149997805089,9.743407615772975,8.074745066654298,{"v":23.209495708154506,"d":"23"},null,0.4761266094420601,12.392703862660944,5.9415236051502145,4.5802038626609445,0,0,0,0,0.31284504968715493,53.60691939639308,39.363268310636734,39.326463010673535,0.5727012408526885,25.283699225792766,31.307667833280306,25.633683317424964,1.1538461538461537,5,0,3.076923076923077,0.2602811035918792,3.9888079125455493,3.2144716293597084,1.9781363872982822,null,null,"tBuBrettPhos Pd G4, P2ET_DMF",{"v":20.843324562701753,"d":"21"},{"$nulls":8},"tBuBrettPhos Pd G4, P2ET_DMF",{"v":15.38135107966759,"d":"15"}]
[{"$nulls":7},{"v":27.25334433382469,"d":"27"},null,"G",0.27400489361709374,9.84859624777946,6.547687129535164,5.111750072471154,0,0,0,0,0.9821423510313498,16.87629689502367,10.67270228166094,11.043447477284959,1.0943678551567728,13.680335816351057,10.3676882036495,9.665652448923423,0.03651738512353972,1.644056779281513,1.3583473939095214,1.2153156992569485,0.5037892114031547,7.744445794428979,6.437716611303401,5.934530726671646,{"v":18.53540772532189,"d":"19"},null,0.1542381974248927,4.204667381974249,2.8433476394849784,1.9849785407725322,0,0,0,0,0.6072874493927125,8.207581891792419,9.182922340817077,6.790577843209422,0.48785661257821616,5.292183688620214,6.034574186021848,4.825538233110616,1.9230769230769231,1.1538461538461537,1.1538461538461537,3.4615384615384617,0.12363352420614264,2.5702758979698075,1.9651223321186881,1.7048412285268089,null,null,"XantPhos Pd G4, P2ET_DMF",{"v":44.18000724546805,"d":"44"},{"$nulls":8},"XantPhos Pd G4, P2ET_DMF",{"v":43.39295374642527,"d":"43"}]
[{"$nulls":7},{"$f":"M5","v":{"v":0.7865737562647926,"d":"1"}},null,"H",1.2321263256363337,1.370348201606254,2.414245692235711,1.2864795058890803,0,0,0,0,2.991605335040131,2.62761042558226,4.921935864287812,4.205246230057905,0.668002928279948,0.6385170620175672,0.678126693255351,0.7014210541334902,0.11614005876689698,0.08677736803245102,0.09748123837259975,0.0899016911762496,0.47142767196805435,0.5190148103082048,0.519621613799378,0.49652031748158,{"$f":"AM5","v":{"v":0.13412017167381973,"d":"0"}},null,0.6638948497854077,0.7510729613733905,1.1467274678111588,0.8583690987124464,0,0,0,0,1.7114464482885536,1.5090172984909827,3.717335296282665,1.9322782480677219,0.26513946335772615,0.5727012408526885,0.689362604730088,0.2757450418920352,3.4615384615384617,0.38461538461538464,3.8461538461538463,2.3076923076923075,0.25377407600208224,0.17568974492451847,0.1431546069755336,0.14966163456533055,null,null,"cataCXium Pd G4, DBU_DMAc",{"$f":"BR4","v":{"v":0.9550160356797524,"d":"1"}},{"$nulls":8},"cataCXium Pd G4, DBU_DMAc",{"$f":"CB4","v":{"v":0.4796434335680778,"d":"0"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":24.636158437494633,"d":"25"}},null,"I",0.4518671002636321,0.7238279325345462,0.762400090641438,0.3491641212830723,0,0,0,0,0.22312379871037505,0.20336888217846144,0.209653883691198,0.22518767930830058,0.3133227593130723,0.35376820646451845,0.4627603705286373,0.9515109122905409,0.020656614381560058,0.0311523461175879,0.03010139443647996,0.07292000148269702,0.323598242533452,0.29924555887843307,0.3112821945163685,0.49292214429709835,{"$f":"AM6","v":{"v":15.128755364806867,"d":"15"}},null,0.09388412017167382,0.02682403433476395,0.08717811158798283,0.3017703862660944,0,0,0,0,0.12881854987118144,0.23923444976076555,0.5336768494663231,0.34965034965034963,0.1590836780146357,0.08484462827447237,0.18029483508325378,0.5727012408526885,3.8461538461538463,0,2.3076923076923075,1.5384615384615385,0.22123893805309736,0.07808433107756377,0.0325351379489849,0.15616866215512754,null,null,"tBuXphos Pd G4, DBU_DMAc",{"v":17.894810955983466,"d":"18"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMAc",{"$f":"CB5","v":{"v":24.48001901822093,"d":"24"}}]
[{"$nulls":7},{"v":9.064907717169046,"d":"9"},null,"J",0.342155487956553,21.791854229980895,18.062586197442698,12.437162077537565,0,0,0,0,0.5032718399232358,88.12149752577253,71.06611991026672,45.84581970686732,0.7904950118781285,38.53625883515153,41.67620004221838,27.91319432060931,0.09977380855776657,3.2072374048394026,2.2212086986227946,1.3915162079823198,0.829269286459462,12.495334459358654,13.068594905826979,8.203777494741628,{"v":3.8291309012875536,"d":"4"},null,0.6504828326180258,11.929989270386265,6.31706008583691,5.901287553648069,0,0,0,0,0.49687154950312845,72.52484357747515,59.77180714022819,29.959514170040485,0.2969561989606533,38.519461236610454,44.53282426556369,20.33089405027044,3.076923076923077,8.076923076923077,4.230769230769231,3.076923076923077,0.22123893805309736,3.962779802186361,5.075481520041645,2.1603331598125974,null,null,"tBuBrettPhos Pd G4, DBU_DMAc",{"v":8.228086892860567,"d":"8"},{"$nulls":8},"tBuBrettPhos Pd G4, DBU_DMAc",{"v":5.302303176197838,"d":"5"}]
[{"$nulls":7},{"v":0.1444465905498425,"d":"0"},null,"K",0.783424756880444,11.015553683241862,7.452149977232306,5.72958612046222,0,0,0,0,1.7653244172076632,15.499858097642845,14.420504686920939,7.692319415648702,1.9890572432229272,14.968204038330546,12.40087813019987,6.785048280938039,0.10416483583638639,2.274369718517984,1.8055493342389806,0.84789327787245,0.9046620706432305,8.019842794019581,7.085233534042782,3.379142504222358,{"v":0.17435622317596566,"d":"0"},null,0.38894849785407726,6.115879828326181,3.66818669527897,2.2733369098712446,0,0,0,0,1.0857563489142437,9.477364740522635,10.434302539565698,3.5149061464850937,0.9863188036907413,6.936048361438116,9.131403118040089,3.0013787252094604,0.7692307692307693,6.923076923076923,2.6923076923076925,3.4615384615384617,0.22774596564289432,3.2209786569495056,2.5897969807391985,1.1582509109838626,null,null,"XantPhos Pd G4, DBU_DMAc",{"v":0.680862797660544,"d":"1"},{"$nulls":8},"XantPhos Pd G4, DBU_DMAc",{"v":0.4927869076850726,"d":"0"}]
[{"$nulls":7},{"v":0.3040092170881338,"d":"0"},null,"L",1.169342009200872,1.4001928790498948,1.2819067699079842,1.4470170342113837,0,0,0,0,2.9405120840890286,4.176795738837354,3.3103848709879014,3.124714215965023,0.03510371558550951,0.6353190434894492,0.46957293357094737,{"$f":"Z16","v":0.6047447370590783},0.09017659121942814,0.06766283870360185,0.06608797402475101,0.07173544677768862,0.5286997926911963,0.40073471757440005,0.4244537111053289,0.4352849679977158,{"v":0.12070815450643776,"d":"0"},null,0.9120171673819742,0.7913090128755365,1.2204935622317596,0.9522532188841202,0,0,0,0,2.061096797938903,2.9076186970923814,1.7666543982333456,1.785057048214943,0.5302789267154523,0.3499840916321985,0.38180082723512565,{"$f":"AZ16","v":0.36058967016650756},4.615384615384615,1.9230769230769231,0.38461538461538464,0.7692307692307693,0.07808433107756377,0.22123893805309736,0.1366475793857366,0.20822488287350338,null,null,"cataCXium Pd G4,BTMG_DMAc",{"v":0.27888761536964035,"d":"0"},{"$nulls":8},"cataCXium Pd G4,BTMG_DMAc",{"v":0.7794084234941173,"d":"1"}]
[{"$nulls":7},{"v":13.702084434765494,"d":"14"},null,"M",{"$f":"K17","v":0},0.01929397499297718,0,0.040282122511650795,0,0,0,0,0.08929352471384354,0.2803554511830905,0.15142845485868914,0.07374118331473134,0.5725768801491375,0.6630680489047887,2.344757997593638,1.073791416165868,0.02591546022214408,0.040699472340186796,0.13166245400383297,0.09083026024338273,0.14792631402563006,0.20465293741627544,0.2409607855758657,0.2748258904224405,{"v":5.9415236051502145,"d":"6"},null,{"$f":"AK17","v":0.16765021459227467},0.2078862660944206,0.06035407725321888,0.3151824034334764,0,0,0,0,0.4416635995583364,0.34965034965034963,0.16562384983437614,0.4416635995583364,0.18029483508325378,0.2545338848234171,0.6045179764556157,0.10605578534309047,1.9230769230769231,0,0.38461538461538464,1.9230769230769231,0.11061946902654868,0.0715773034877668,0.12363352420614264,0.20822488287350338,null,null,"tBuXphos Pd G4,BTMG_DMAc",{"v":14.594603382705104,"d":"15"},{"$nulls":8},"tBuXphos Pd G4,BTMG_DMAc",{"v":15.965386275685393,"d":"16"}]
[{"$nulls":7},{"v":6.547687129535164,"d":"7"},null,"N",0.9954526938791569,100,62.303392771219,67.07767186860869,0,0,0,0,0.08301470512844353,67.92475460993985,85.9090062963977,100,1.6428955420004525,78.8731220566951,55.317192947687694,50.881036553467865,1.4526809867148343,100,63.67325164474178,59.59498327457646,1.8891521768855635,72.28206889900639,54.68818642942796,54.87161237015645,{"v":2.8433476394849784,"d":"3"},null,0.6035407725321889,100,45.9831008583691,42.10032188841202,0,0,0,0,0.2944423997055576,74.80677217519323,56.18329039381671,83.60323886639677,0.7211793403330151,80.1887792979107,69.74228444161629,40.534521158129174,0.38461538461538464,100,55.76923076923077,70,0.7548152004164498,59.31155648099948,50.46199895887558,39.96616345653305,null,null,"tBuBrettPhos Pd G4,BTMG_DMAc",{"v":6.1778598345993965,"d":"6"},{"$nulls":8},"tBuBrettPhos Pd G4,BTMG_DMAc",{"v":4.2359625304577495,"d":"4"}]
[{"$nulls":7},{"v":2.414245692235711,"d":"2"},null,"O",0,38.71759687159322,8.80005249023202,6.252805865293387,0,0,0,0,0.0890810682723186,6.171142018081575,2.459156312029845,2.8002206867315604,0.6945186629919936,22.960450900463332,13.286863866440221,7.48322916643533,0.20724722269808785,16.7883254840555,2.220356187905801,0.7718540024304209,0.3441696457625735,19.579107539315153,6.786970264391083,2.612740887180521,{"v":1.1467274678111588,"d":"1"},null,0.16765021459227467,23.209495708154506,2.8433476394849784,3.9096030042918457,0,0,0,0,0.8281192491718807,7.6370997423629,3.735737946264262,3.0180345969819653,0.2757450418920352,14.052391557959487,6.533036377134373,2.736239261851734,0.7692307692307693,17.692307692307693,0,1.5384615384615385,0.11712649661634565,14.315460697553357,2.472670484122853,1.1647579385736595,null,null,"XantPhos Pd G4,BTMG_DMAc",{"v":0.9273688094157599,"d":"1"},{"$nulls":8},"XantPhos Pd G4,BTMG_DMAc",{"v":1.9085467643906582,"d":"2"}]
[{"$nulls":7},{"v":0.762400090641438,"d":"1"},null,"P",18.593094634705636,27.25334433382469,26.712688380523407,69.61513690495663,0,0,0,0,0.0775608574380148,0.13591951311271508,0.0682023025829797,1.5693235092818734,100,81.1748374694942,62.552669306712666,74.65387896326705,43.495227819403496,41.6554387631101,44.87558372679904,50.66229471408492,100,70.68049614779855,54.24277876002773,61.63624424643874,{"v":0.08717811158798283,"d":"0"},null,13.331545064377682,18.53540772532189,14.109442060085836,47.08288626609442,0,0,0,0,0.5520794994479205,0.20242914979757085,0.49687154950312845,1.5642252484357748,100,99.55456570155901,73.87846006999682,89.69137766465161,36.15384615384615,28.46153846153846,38.07692307692308,20,100,70.21082769390942,51.95210827693909,50.95002602811036,null,null,"cataCXium Pd G4, MTBD_DMAc",{"v":0.3916360125307309,"d":"0"},{"$nulls":8},"cataCXium Pd G4, MTBD_DMAc",{"v":0.6282754483557704,"d":"1"}]
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[{"$nulls":7},{"v":7.834116191926164,"d":"8"},{"$nulls":26},{"v":3.5333159812597605,"d":"4"}]
[{"$nulls":7},{"v":0.1657842533620225,"d":"0"},{"$nulls":26},0]
[{"$nulls":7},{"v":0.36943740206203535,"d":"0"},{"$nulls":26},{"v":0.1301405517959396,"d":"0"}]
[{"$nulls":7},{"v":9.743407615772975,"d":"10"},{"$nulls":26},{"v":3.2144716293597084,"d":"3"}]
[{"$nulls":7},{"v":6.437716611303401,"d":"6"},{"$nulls":26},{"v":1.9651223321186881,"d":"2"}]
[{"$nulls":7},{"v":0.519621613799378,"d":"1"},{"$nulls":26},{"v":0.1431546069755336,"d":"0"}]
[{"$nulls":7},{"v":0.3112821945163685,"d":"0"},{"$nulls":26},{"v":0.0325351379489849,"d":"0"}]
[{"$nulls":7},{"v":13.068594905826979,"d":"13"},{"$nulls":26},{"v":5.075481520041645,"d":"5"}]
[{"$nulls":7},{"v":7.085233534042782,"d":"7"},{"$nulls":26},{"v":2.5897969807391985,"d":"3"}]
[{"$nulls":7},{"v":0.4244537111053289,"d":"0"},{"$nulls":26},{"v":0.1366475793857366,"d":"0"}]
[{"$nulls":7},{"v":0.2409607855758657,"d":"0"},{"$nulls":26},{"v":0.12363352420614264,"d":"0"}]
[{"$nulls":7},{"v":54.68818642942796,"d":"55"},{"$nulls":26},{"v":50.46199895887558,"d":"50"}]
[{"$nulls":7},{"v":6.786970264391083,"d":"7"},{"$nulls":26},{"v":2.472670484122853,"d":"2"}]
[{"$nulls":7},{"v":54.24277876002773,"d":"54"},{"$nulls":26},{"v":51.95210827693909,"d":"52"}]
[{"$nulls":7},{"$f":"AH5","v":{"v":0.2080867776461192,"d":"0"}},{"$nulls":26},{"$f":"BH5","v":{"v":0.026028110359187923,"d":"0"}}]
[{"$nulls":7},{"v":13.087292241207406,"d":"13"},{"$nulls":26},{"v":5.055960437272254,"d":"5"}]
[{"$nulls":7},{"v":8.283090164579606,"d":"8"},{"$nulls":26},{"v":3.650442477876106,"d":"4"}]
[{"$nulls":7},{"v":0.19715956328797762,"d":"0"},{"$nulls":26},{"v":0.08459135866736076,"d":"0"}]
[{"$nulls":7},{"v":0.8156164396893832,"d":"1"},{"$nulls":26},{"v":0.33185840707964603,"d":"0"}]
[{"$nulls":7},{"v":8.074745066654298,"d":"8"},{"$nulls":26},{"v":1.9781363872982822,"d":"2"}]
[{"$nulls":7},{"v":5.934530726671646,"d":"6"},{"$nulls":26},{"v":1.7048412285268089,"d":"2"}]
[{"$nulls":7},{"v":0.49652031748158,"d":"0"},{"$nulls":26},{"v":0.14966163456533055,"d":"0"}]
[{"$nulls":7},{"v":0.49292214429709835,"d":"0"},{"$nulls":26},{"v":0.15616866215512754,"d":"0"}]
[{"$nulls":7},{"v":8.203777494741628,"d":"8"},{"$nulls":26},{"v":2.1603331598125974,"d":"2"}]
[{"$nulls":7},{"v":3.379142504222358,"d":"3"},{"$nulls":26},{"v":1.1582509109838626,"d":"1"}]
[{"$nulls":7},{"v":0.4352849679977158,"d":"0"},{"$nulls":26},{"v":0.20822488287350338,"d":"0"}]
[{"$nulls":7},{"v":0.2748258904224405,"d":"0"},{"$nulls":26},{"v":0.20822488287350338,"d":"0"}]
[{"$nulls":7},{"v":54.87161237015645,"d":"55"},{"$nulls":26},{"v":39.96616345653305,"d":"40"}]
[{"$nulls":7},{"v":2.612740887180521,"d":"3"},{"$nulls":26},{"v":1.1647579385736595,"d":"1"}]
[{"$nulls":7},{"v":61.63624424643874,"d":"62"},{"$nulls":26},{"v":50.95002602811036,"d":"51"}]

{"sheet":"35","index":35,"n_rows":630,"n_cols":7,"rows_kept":630,"merged":[[0,0,0,3]]}
["Data associated with Fig S1"]
[null,"SMILES","PICK","t-SNE dimension 0","t-SNE dimension 1"]
[1,"C#CCOc1cccc(N)c1","Not_selected",32.22861912,4.979890382,null,"Not_selected"]
[2,"C#Cc1ccc(N)cc1","Not_selected",27.54289202,-6.336789781,null,"Selected"]
[3,"C#Cc1cccc(N)c1","Not_selected",31.77411899,-1.733322527]
[4,"C=Cc1ccc(N)cc1","Not_selected",22.26022168,-9.158479485]
[5,"CC(=O)N1CCN(c2ccc(N)cc2)CC1","Not_selected",17.50363043,-33.1932973]
[6,"CC(=O)NNC(=O)c1ccccc1N","Not_selected",-48.49994466,-1.302708818]
[7,"CC(=O)c1ccc(N)cc1","Not_selected",46.65117897,-9.219254742]
[8,"CC(=O)c1cccc(N)c1","Not_selected",51.60243767,5.510916057]
[9,"CC(=O)c1ccccc1N","Not_selected",-47.82818071,-3.30083572]
[10,"CC(=O)c1sccc1N","Not_selected",-20.04092538,-9.946875732]
[11,"CC(C)(C)NS(=O)(=O)c1cccc(N)c1","Not_selected",20.96371927,8.663054212]
[12,"CC(C)(C)OC(=O)/C=C/c1ccccc1N","Not_selected",-38.89656087,-2.446501833]
[13,"CC(C)(C)OC(=O)c1ccc(N)cc1","Not_selected",49.0076577,-4.987883843]
[14,"CC(C)(C)OC(=O)c1ccc(N)cn1","Not_selected",30.85598487,39.21451045]
[15,"CC(C)(C)c1cc(N)cc(C(C)(C)C)c1","Not_selected",6.083477798,-1.191657147]
[16,"CC(C)(C)c1cc(N)ccn1","Not_selected",1.645477099,22.63045123]
[17,"CC(C)(C)c1cc(N)no1","Not_selected",-2.958773026,43.91426121]
[18,"CC(C)(C)c1ccc(-c2csc(N)n2)cc1","Not_selected",41.38418199,31.45398029]
[19,"CC(C)(C)c1ccc(N)c([N+](=O)[O-])c1","Not_selected",-33.73319318,-44.11494399]
[20,"CC(C)(C)c1ccc(O)c(N)c1","Not_selected",9.552019313,-1.303488956]
[21,"CC(C)(C)c1cccc(N)c1","Not_selected",18.25873198,5.413455465]
[22,"CC(C)(C)c1ccccc1N","Not_selected",-28.07514058,-4.88653666]
[23,"CC(C)(C)c1csc(N)n1","Not_selected",-12.44705503,46.70923111]
[24,"CC(C)(CO)c1ccc(N)cc1","Not_selected",11.92826009,-0.727599987]
[25,"CC(C)Oc1cccc(N)c1","Not_selected",30.17041418,5.007969628]
[26,"CC(C)c1cc(N)on1","Not_selected",-2.737514877,46.20708299]
[27,"CC(C)c1ccc(N)cc1","Not_selected",18.10320151,-3.816572559]
[28,"CC(C)c1ccc(N)cn1","Not_selected",26.24514094,38.08155103]
[29,"CC(C)c1ccc(N)nc1","Not_selected",11.42345322,7.795537549]
[30,"CC(C)c1cccc(C(C)C)c1N","Not_selected",-43.53891267,-23.98194805]
[31,"CC(C)c1cccc(N)c1","Not_selected",24.77543836,4.915040708]
[32,"CC(C)c1csc(N)n1","Not_selected",-12.41669631,46.70605062]
[33,"CC(C)c1ncc(N)cn1","Not_selected",22.89963092,36.73733095]
[34,"CC(C)c1noc(N)n1","Not_selected",0.347433694,46.13126305]
[35,"CCC(C)n1nc(C)cc1N","Not_selected",18.81117221,53.49528152]
[36,"CCCCCCCOc1ccc(N)cc1","Not_selected",63.34441573,-19.61348984]
[37,"CCCCCCCc1ccc(N)cc1","Not_selected",51.10604397,-34.11966135]
[38,"CCCCCCc1ccc(N)cc1","Not_selected",50.99718183,-33.98707552]
[39,"CCCCCOC(=O)c1ccc(N)cc1","Not_selected",51.97623438,-6.439092076]
[40,"CCCCOc1ccc(N)cc1","Not_selected",62.50350379,-18.44721822]
[41,"CCCCS(=O)(=O)c1ccc(N)cc1","Not_selected",26.8924476,-54.53830731]
[42,"CCCCc1ccc(N)cc1","Not_selected",50.05097419,-32.759474]
[43,"CCCCn1nc(C)cc1N","Not_selected",17.37864434,57.60353973]
[44,"CCCSc1ccc([N+](=O)[O-])c(N)c1","Not_selected",-40.55857685,-44.66806003]
[45,"CCCc1ccc(N)cc1","Not_selected",50.06994814,-31.13149865]
[46,"CCCc1ccccc1N","Not_selected",-33.83838959,-24.97865009]
[47,"CCCn1nc(C)cc1N","Not_selected",16.74755718,57.67483317]
[48,"CCCn1nc(N)cc1C","Not_selected",16.53020664,59.28624474]
[49,"CCN(CC)CCNC(=O)c1ccc(N)cc1","Not_selected",44.54972778,-6.996365536]
[50,"CCN(CC)CCOC(=O)c1ccc(N)cc1","Not_selected",51.32628678,-7.155345225]
[51,"CCN(CC)Cc1ccc(N)cc1","Not_selected",54.59409069,-28.98151511]
[52,"CCN(CCO)c1ccc(N)cc1","Not_selected",29.14282406,-12.55463543]
[53,"CCOC(=O)/C(=N/O)c1csc(N)n1","Not_selected",-12.59442976,54.781336]
[54,"CCOC(=O)/C(=N\\OC)c1csc(N)n1","Not_selected",-13.27054364,54.7496718]
[55,"CCOC(=O)/C=C/c1ccc(N)cc1","Not_selected",48.46278367,-17.9295301]
[56,"CCOC(=O)C(=O)c1csc(N)n1","Not_selected",-10.7462038,54.61397993]
[57,"CCOC(=O)Cc1csc(N)n1","Not_selected",-9.839920027,58.64510506]
[58,"CCOC(=O)c1c(N)sc2c1CCCC2","Not_selected",-21.8320551,36.7222133]
[59,"CCOC(=O)c1ccc(N)cc1","Not_selected",51.18573347,-6.117432008]
[60,"CCOC(=O)c1cccc(N)c1","Not_selected",53.33263659,3.701609107]
[61,"CCOC(=O)c1ccsc1N","Not_selected",-20.07796584,-5.985712063]
[62,"CCOC(=O)c1cnc(N)o1","Not_selected",-1.769160985,52.89700828]
[63,"CCOC(=O)c1cnc(N)s1","Not_selected",-17.77965907,41.11167278]
[64,"CCOC(=O)c1coc(N)n1","Not_selected",-5.293781119,51.01217097]
[65,"CCOC(=O)c1nc(N)cn1C","Not_selected",8.605504987,40.81058958]
[66,"CCOP(=O)(Cc1ccc(N)cc1)OCC","Not_selected",52.15208369,-30.34026626]
[67,"CCOc1cc(N)nc(OCC)n1","Not_selected",-20.58648479,19.19824505]
[68,"CCOc1ccc(N)cc1","Not_selected",61.75260533,-17.56852186]
[69,"CCOc1ccc2nc(N)sc2c1","Not_selected",-56.86262976,29.59128058]
[70,"CCc1cc(N)n(C)n1","Not_selected",16.51699722,50.58169942]
[71,"CCc1ccc(N)nc1","Not_selected",-1.256278741,29.11343787]
[72,"CCc1cccc(N)c1","Not_selected",37.95411941,-26.02960124]
[73,"CCc1cnc(N)nc1","Not_selected",-2.511469894,29.65944426]
[74,"CCc1noc(N)c1-c1ccc(F)cc1","Not_selected",27.0987664,25.40531184]
[75,"CCc1oc(N)nc1-c1ccccc1","Not_selected",0.267507919,11.69349896]
[76,"CCn1cc(N)cn1","Not_selected",13.05488426,32.60072698]
[77,"CCn1ccc(N)n1","Not_selected",9.852687883,34.58687994]
[78,"CCn1cncc1N","Not_selected",13.64711745,34.04713842]
[79,"CN(C)CCCc1ccc(N)cc1","Not_selected",48.98910623,-33.30400556]
[80,"CN(C)CCNS(=O)(=O)c1ccc(N)cc1","Not_selected",30.62008971,-61.13664025]
[81,"CN(C)CCOc1ccc(N)cc1","Not_selected",61.21917559,-18.80696842]
[82,"CN(C)Cc1ccc(N)cc1","Not_selected",54.28309929,-29.01076137]
[83,"CN(C)c1ccc(N)cc1","Not_selected",27.57513942,-11.5152368]
[84,"CN(C)c1ccc(N)cn1","Not_selected",26.56229248,36.34986297]
[85,"CN(C)c1ccc(N)nc1","Not_selected",10.81127183,9.710134714]
[86,"CN(C)c1ccc([N+](=O)[O-])c(N)c1","Not_selected",-38.94086453,-45.16229934]
[87,"CN(C)c1cccc(N)c1","Not_selected",24.41026617,7.195107087]
[88,"CN(C)c1ncc(N)cn1","Not_selected",22.9186633,36.4219419]
[89,"CN(Cc1ccccc1N)C1CCCCC1","Not_selected",-35.56229285,-24.57496022]
[90,"CN1C(=O)c2ccc(N)cc2C1=O","Not_selected",14.09910338,24.71827834]
[91,"CN1CCCN(c2ccc(N)cc2)CC1","Not_selected",18.59491416,-34.58625641]
[92,"CN1CCN(Cc2ccccc2N)CC1","Not_selected",-5.446962243,-46.85848512]
[93,"CN1CCN(c2ccc(N)cc2)CC1","Not_selected",18.29837104,-34.38301057]
[94,"CN1CCN(c2ccc(N)cc2C(=O)O)CC1","Not_selected",15.79824584,-46.69222236]
[95,"CN1CCN(c2cccc(N)c2)CC1","Not_selected",10.02786363,-39.81888585]
[96,"CN1CCN(c2ccccc2N)CC1","Not_selected",2.043251496,-53.92869598]
[97,"CN1CCN(c2ncc(N)cn2)CC1","Not_selected",19.16156392,33.74064527]
[98,"CN1CCc2c(sc(N)c2C#N)C1","Not_selected",-24.66776854,11.0299645]
[99,"CN1CCc2ccc(N)cc21","Not_selected",10.61953312,17.49742665]
[100,"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1","Not_selected",14.34553863,-6.025311395]
[101,"CNC(=O)c1ccccc1N","Not_selected",-47.84755854,-1.923482368]
[102,"CNS(=O)(=O)c1ccc(N)cc1","Not_selected",30.31025574,-56.73882438]
[103,"CO/N=C(\\C(=O)O)c1csc(N)n1","Not_selected",-13.6344766,54.63677757]
[104,"COC(=O)Cc1ccc(N)cc1","Not_selected",48.42860368,-25.05666889]
[105,"COC(=O)Cc1cccc(N)c1","Not_selected",35.8574009,-27.71989114]
[106,"COC(=O)c1c(F)c(F)c(N)c(F)c1F","Not_selected",-14.02357494,-7.387067696]
[107,"COC(=O)c1cc(OC)c(OC)cc1N","Not_selected",-30.0680083,-34.29822611]
[108,"COC(=O)c1ccc(-c2ccc(N)cc2)cc1","Not_selected",50.01484704,-3.702706795]
[109,"COC(=O)c1ccc(-c2cccc(N)c2)cc1","Not_selected",50.52744005,-0.940170619]
[110,"COC(=O)c1ccc(C(=O)O)cc1N","Not_selected",-20.62968788,-53.00766739]
[111,"COC(=O)c1ccc(C)cc1N","Not_selected",-22.65654373,-27.08496434]
[112,"COC(=O)c1ccc(N)c(C)c1","Not_selected",-19.7931396,-60.5723993]
[113,"COC(=O)c1ccc(N)c(O)c1","Not_selected",-20.06131596,-59.93410537]
[114,"COC(=O)c1ccc(N)cc1O","Not_selected",11.03090816,-50.38799343]
[115,"COC(=O)c1ccc(O)c(N)c1","Not_selected",-20.95038668,-59.27543328]
[116,"COC(=O)c1cccc(-c2ccc(N)cc2)c1","Not_selected",51.88939569,0.771767064]
[117,"COC(=O)c1cccc(-c2cccc(N)c2)c1","Not_selected",51.62779123,1.316744339]
[118,"COC(=O)c1cccc(N)c1","Not_selected",52.81854526,3.350104898]
[119,"COC(=O)c1cccc(N)c1C","Not_selected",-45.72704081,-8.309142579]
[120,"COC(=O)c1ccccc1N","Not_selected",-48.6133214,-4.454079911]
[121,"COC(=O)c1ccccc1Oc1ccc(N)cc1","Not_selected",15.20399539,-14.72900643]
[122,"COC(=O)c1ccncc1N","Not_selected",-16.5931235,-0.159497745]
[123,"COC(=O)c1ccsc1N","Not_selected",-19.78410196,-6.211587452]
[124,"COC(=O)c1cnc(N)s1","Not_selected",-17.87466802,41.05574416]
[125,"COC(=O)c1cncc(N)c1","Not_selected",43.68922009,8.275070461]
[126,"COC(=O)c1cscc1N","Not_selected",-18.09468226,-6.773644236]
[127,"COC(=O)c1nc(N)cn1C","Not_selected",8.61771955,40.7767764]
[128,"COC(=O)c1nc(OC)cnc1N","Not_selected",40.05259983,2.743645135]
[129,"COC(=O)c1scc(C)c1N","Not_selected",-17.87129934,-10.53704461]
[130,"COCCN1CCCc2ccc(N)cc21","Not_selected",11.47628161,17.64884274]
[131,"COCCNS(=O)(=O)c1ccc(N)cc1","Not_selected",29.59273423,-61.20104383]
[132,"COc1cc(C(=O)O)ccc1N","Not_selected",-17.07556418,-59.8117753]
[133,"COc1cc(N)c(C#N)cc1OC","Not_selected",-25.56286304,-36.79371552]
[134,"COc1cc(N)c(C(=O)O)cc1OC","Not_selected",-29.71186318,-35.08860009]
[135,"COc1cc(N)c2ncccc2c1","Not_selected",-30.58325311,14.43016671]
[136,"COc1cc(N)cc(OC)c1OC","Not_selected",16.67406793,-19.93233144]
[137,"COc1cc(N)ccc1-c1ccccc1","Not_selected",9.428254852,-24.79079473]
[138,"COc1cc(N)ccc1F","Not_selected",8.310511438,-22.56592023]
[139,"COc1cc(N)ncn1","Not_selected",-20.35461435,18.05622597]
[140,"COc1ccc(-c2c(C)noc2N)cc1","Not_selected",25.695766,26.92676817]
[141,"COc1ccc(-c2ccc(N)cc2)cc1","Not_selected",19.37003214,-15.66471585]
[142,"COc1ccc(-c2ccccc2)cc1N","Not_selected",-21.47598869,-34.57036217]
[143,"COc1ccc(-c2csc(N)n2)cc1F","Not_selected",43.81466048,31.75774858]
[144,"COc1ccc(-c2nc3ccccc3o2)cc1N","Not_selected",37.5580596,18.22657123]
[145,"COc1ccc(C#N)c(N)c1","Not_selected",-20.44693857,-41.37253236]
[146,"COc1ccc(C(=O)O)c(N)c1","Not_selected",-18.20372493,-45.70556898]
[147,"COc1ccc(C(=O)O)cc1N","Not_selected",-16.29822016,-58.71036103]
[148,"COc1ccc(C(F)(F)F)cc1N","Not_selected",-22.91634521,-39.60234169]
[149,"COc1ccc(C)cc1N","Not_selected",-22.9166793,-37.80874841]
[150,"COc1ccc(F)c(N)c1","Not_selected",-17.24294194,-40.70018649]
[151,"COc1ccc(F)cc1N","Not_selected",-22.40857859,-38.51569255]
[152,"COc1ccc(N)c(C)c1","Not_selected",-15.39297447,-39.15448859]
[153,"COc1ccc(N)c(F)c1","Not_selected",-16.41044625,-40.33705397]
[154,"COc1ccc(N)c(OC)c1","Not_selected",-16.19452865,-38.64425328]
[155,"COc1ccc(N)c(OC)n1","Not_selected",-20.88550374,15.52018928]
[156,"COc1ccc(N)c([N+](=O)[O-])c1","Not_selected",-33.00854422,-47.14634836]
[157,"COc1ccc(N)cc1C","Not_selected",10.01320375,-22.16591231]
[158,"COc1ccc(N)cc1F","Not_selected",9.462831109,-22.01066086]
[159,"COc1ccc(N)cc1O","Not_selected",11.07586967,-23.13926158]
[160,"COc1ccc(N)nc1","Not_selected",9.216816429,10.29490827]
[161,"COc1ccc(O)c(N)c1","Not_selected",-19.12745719,-40.56498256]
[162,"COc1ccc(OC(F)(F)F)cc1N","Not_selected",-20.58162001,-38.82099176]
[163,"COc1cccc(-c2ccc(N)cc2)c1","Not_selected",31.2383758,8.23284478]
[164,"COc1cccc(-c2cccc(N)c2)c1","Not_selected",30.76609839,7.593857352]
[165,"COc1cccc(C(=O)O)c1N","Not_selected",-42.50194385,-13.44920077]
[166,"COc1cccc(N)c1","Not_selected",30.43862108,5.925421759]
[167,"COc1cccc(N)c1C","Not_selected",-43.04890044,-17.1633054]
[168,"COc1cccc(N)c1OC","Not_selected",-43.44489158,-16.58017616]
[169,"COc1cccc(N)n1","Not_selected",-19.97482757,15.64697011]
[170,"COc1cccc(OC)c1N","Not_selected",-42.89605177,-15.00936111]
[171,"COc1cccc2sc(N)nc12","Not_selected",-44.40880824,-14.58197513]
[172,"COc1ccccc1-c1ccc(N)cc1","Not_selected",22.81083436,-24.45962064]
[173,"COc1ccccc1Oc1ccc(N)cc1","Not_selected",15.982944,-13.88763822]
[174,"COc1ccnc(N)c1","Not_selected",-24.75538085,21.99534672]
[175,"COc1nccc(N)n1","Not_selected",-23.64858003,21.45525241]
[176,"CS(=O)(=O)c1ccccc1N","Not_selected",-52.41212264,-19.75628016]
[177,"CSc1ccc(N)cc1","Not_selected",16.43791287,-2.486787592]
[178,"CSc1cccc(N)c1","Not_selected",21.30912544,6.808293766]
[179,"CSc1ccccc1N","Not_selected",-33.76026717,-4.503643429]
[180,"C[N+](C)(C)c1ccc(N)cc1","Not_selected",19.40984035,-5.097541711]
[181,"Cc1c(N)c(=O)n(-c2ccccc2)n1C","Not_selected",-5.052447273,12.38961482]
[182,"Cc1c(N)cccc1-c1nc2ccccc2s1","Not_selected",-57.84930262,21.50493885]
[183,"Cc1c(N)cccc1C(=O)O","Not_selected",-45.46296663,-8.12490235]
[184,"Cc1c(N)cccc1C(F)(F)F","Not_selected",-29.71676367,-6.316767236]
[185,"Cc1c(N)cccc1F","Not_selected",-32.4815429,-9.318137396]
[186,"Cc1c(N)cccc1[N+](=O)[O-]","Not_selected",-40.84274688,-39.52872291]
[187,"Cc1cc(=O)oc2cc(N)ccc12","Not_selected",6.050143354,-14.21271345]
[188,"Cc1cc(C)cc(N)c1","Not_selected",17.53389867,9.985173967]
[189,"Cc1cc(C)n(-c2ccc(N)cc2)n1","Not_selected",19.20633641,48.53975568]
[190,"Cc1cc(C)nc(N)c1","Not_selected",16.89315913,10.7940479]
[191,"Cc1cc(F)ccc1N","Not_selected",-11.89223189,-33.48480259]
[192,"Cc1cc(N)c2ccccc2n1","Not_selected",-11.47494234,6.895824322]
[193,"Cc1cc(N)cc(-c2nc3ccccc3o2)c1O","Not_selected",40.46403591,18.62245202]
[194,"Cc1cc(N)n(-c2ccccc2)n1","Not_selected",24.69997778,51.2550018]
[195,"Cc1cc(N)n(C(C)(C)C)n1","Not_selected",16.43104693,52.45832363]
[196,"Cc1cc(N)n(C(C)C)n1","Not_selected",18.48001985,53.25007978]
[197,"Cc1cc(N)n(C)n1","Not_selected",16.19638015,51.47145287]
[198,"Cc1cc(N)n(CC(C)C)n1","Not_selected",16.6513664,55.81266666]
[199,"Cc1cc(N)n(Cc2ccccc2)n1","Not_selected",14.90966452,56.76289295]
[200,"Cc1cc(N)no1","Not_selected",-2.925108801,44.16459338]
[201,"Cc1cc(N)on1","Not_selected",-3.266261735,46.30323181]
[202,"Cc1cc(N)sn1","Not_selected",-2.807605104,47.91202145]
[203,"Cc1cc(O)ccc1N","Not_selected",-10.10801329,-34.79190486]
[204,"Cc1cc(O)nc2cc(N)ccc12","Not_selected",4.50882858,-11.61699011]
[205,"Cc1ccc(-c2cccc(N)c2)cc1","Not_selected",28.08725506,12.16658577]
[206,"Cc1ccc(C(=O)O)cc1N","Not_selected",-20.73136456,-54.84280275]
[207,"Cc1ccc(C(N)=O)c(N)c1","Not_selected",-22.6179295,-27.05708461]
[208,"Cc1ccc(C)c2sc(N)nc12","Not_selected",-9.965776094,39.49000732]
[209,"Cc1ccc(CO)cc1N","Not_selected",-14.24300544,-33.45782561]
[210,"Cc1ccc(N)c(C)c1","Not_selected",-10.49929285,-34.08471474]
[211,"Cc1ccc(N)c(F)c1","Not_selected",-9.721272926,-32.18578163]
[212,"Cc1ccc(N)cc1F","Not_selected",4.465045842,-15.89443516]
[213,"Cc1ccc(N)cc1[N+](=O)[O-]","Not_selected",3.291184803,-14.24429015]
[214,"Cc1ccc(N)nn1","Not_selected",-20.79480167,30.82307709]
[215,"Cc1ccc(Oc2ccc(N)cc2)cc1","Not_selected",16.97424905,-5.820857004]
[216,"Cc1ccc(Oc2cccc(N)c2)cc1C","Not_selected",10.23209372,-8.71571968]
[217,"Cc1ccc(Oc2ncccc2N)c2c1CCC2","Not_selected",-45.61737751,8.082842813]
[218,"Cc1ccc([N+](=O)[O-])c(N)n1","Not_selected",-43.13843188,16.21504845]
[219,"Cc1ccc([N+](=O)[O-])cc1N","Not_selected",-11.8975517,-20.48002808]
[220,"Cc1ccc2cc(N)ccc2n1","Not_selected",-3.085400599,23.41865265]
[221,"Cc1ccc2onc(N)c2c1","Not_selected",-32.00205822,43.91964069]
[222,"Cc1cccc(-c2cccc(N)c2)c1","Not_selected",23.11035473,8.248973892]
[223,"Cc1cccc(C)c1N","Not_selected",-37.55423731,-8.045307422]
[224,"Cc1cccc(N)c1C#N","Not_selected",-35.42326294,-10.59172285]
[225,"Cc1cccc(N)c1C(=O)O","Not_selected",-43.00118834,-6.232701199]
[226,"Cc1cccc(N)n1","Not_selected",-18.63266085,15.30522286]
[227,"Cc1cccc(O)c1N","Not_selected",-37.68176529,-7.89551498]
[228,"Cc1ccccc1-c1cccc(N)c1","Not_selected",24.1251774,-24.35521521]
[229,"Cc1ccccc1N","Not_selected",-35.06154356,-6.876948168]
[230,"Cc1cccnc1N","Not_selected",-38.30402984,17.85298354]
[231,"Cc1ccnc(N)c1[N+](=O)[O-]","Not_selected",-41.15296219,17.66310289]
[232,"Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1","Not_selected",4.189975979,-0.048189673]
[233,"Cc1cnc(N)c([N+](=O)[O-])c1","Not_selected",-4.068111653,31.81957531]
[234,"Cc1cnc(N)cn1","Not_selected",26.2249934,40.61617443]
[235,"Cc1cnc(N)nc1","Not_selected",-3.313276201,30.02100588]
[236,"Cc1cnc(N)s1","Not_selected",-13.56854427,37.93094435]
[237,"Cc1coc(N)n1","Not_selected",-4.706581327,49.2507187]
[238,"Cc1csc(N)c1C(N)=O","Not_selected",-17.18786151,-11.07899537]
[239,"Cc1nc(-c2ccc(N)cc2)cs1","Not_selected",36.55428687,26.11927461]
[240,"Cc1nc(-c2cccc(N)c2)sc1C","Not_selected",20.95316445,15.45872431]
[241,"Cc1nc(N)ccc1C#N","Not_selected",-19.12769811,13.14443078]
[242,"Cc1nc(N)nc(O)c1C","Not_selected",-6.362486346,27.09928635]
[243,"Cc1nc(N)sc1C","Not_selected",-11.18390394,38.36965446]
[244,"Cc1nc2ccc(N)cc2o1","Not_selected",19.85374115,-2.672822447]
[245,"Cc1ncc(-c2ccnc(N)n2)n1C(C)C","Not_selected",-11.07735748,27.04584014]
[246,"Cc1nnc(-c2ccc(N)cc2)o1","Not_selected",2.278097369,53.69519983]
[247,"Cc1nnc(N)o1","Not_selected",1.598115004,51.32527048]
[248,"Cc1nnc(N)s1","Not_selected",-12.63181763,39.63563951]
[249,"Cc1noc(C)c1-c1cccc(N)c1","Not_selected",23.08256873,10.51736087]
[250,"Cc1noc(C)c1N","Not_selected",-0.402607932,41.50936176]
[251,"Cc1noc(N)c1-c1ccccc1","Not_selected",25.04967683,26.0780983]
[252,"Cc1noc(N)c1C#N","Not_selected",-0.447946105,39.90708236]
[253,"Cc1onc(-c2ccccc2)c1N","Not_selected",1.891015395,12.70053888]
[254,"Cn1c(-c2ccccc2)cnc1N","Not_selected",-3.016084514,12.03864514]
[255,"Cn1c(N)cc(=O)n(C)c1=O","Not_selected",15.77106938,48.271264]
[256,"Cn1c(N)nc2ccccc21","Not_selected",-5.982851017,10.53632996]
[257,"Cn1cc(N)cn1","Not_selected",12.85878498,32.37990662]
[258,"Cn1ccc(N)c1","Not_selected",8.527302015,31.54671402]
[259,"Cn1ccc(N)n1","Not_selected",9.638023346,34.30055068]
[260,"Cn1ccc2cc(N)ccc21","Not_selected",10.45543924,29.69230309]
[261,"Cn1cnc(N)c1","Not_selected",7.882083169,32.60819906]
[262,"Cn1cnc(N)c2ncnc1-2","Not_selected",6.551480434,33.21757505]
[263,"Cn1nc(C2CC2)cc1N","Not_selected",15.01396494,51.07136635]
[264,"Cn1ncc2cc(N)ccc21","Not_selected",11.07528518,29.53808414]
[265,"Cn1nnnc1N","Not_selected",12.77540168,50.16194612]
[266,"N#CCc1ccc(N)cc1","Not_selected",51.22455748,-28.34250653]
[267,"N#CSc1ccc2nc(N)sc2c1","Not_selected",-58.74570821,27.82572576]
[268,"N#Cc1c(N)cccc1F","Not_selected",-34.82426644,-11.14911905]
[269,"N#Cc1cc(F)ccc1N","Not_selected",-6.697442648,-29.19860509]
[270,"N#Cc1cc(N)ccc1F","Not_selected",4.897402766,-19.74694671]
[271,"N#Cc1cc([N+](=O)[O-])ccc1N","Not_selected",-11.82644086,-17.91699163]
[272,"N#Cc1ccc(-c2ccc(N)cc2)cc1","Not_selected",29.00375001,-5.564495854]
[273,"N#Cc1ccc(N)c(F)c1","Not_selected",-6.053169391,-31.30968137]
[274,"N#Cc1ccc(N)cc1C(F)(F)F","Not_selected",2.531414388,-21.44930607]
[275,"N#Cc1ccc(N)nc1","Not_selected",7.702874593,8.95894294]
[276,"N#Cc1ccc(O)c(N)c1","Not_selected",-1.390064254,-30.27085789]
[277,"N#Cc1cccc(N)c1","Not_selected",31.72153261,-1.910267433]
[278,"N#Cc1ccccc1N","Not_selected",-22.78047268,6.018581732]
[279,"N#Cc1cccnc1N","Not_selected",-36.40840697,19.1455787]
[280,"N#Cc1ccnc(N)c1","Not_selected",-27.25204197,21.9540139]
[281,"N#Cc1ccsc1N","Not_selected",-22.04081128,8.058197634]
[282,"N#Cc1cnc(N2CCCCC2)nc1N","Not_selected",-18.1836803,25.59989725]
[283,"N#Cc1cncnc1N","Not_selected",-17.30030967,25.12437122]
[284,"N#Cc1ncc(N)cn1","Not_selected",21.76173415,36.69458546]
[285,"NC(=O)c1c(N)cccc1F","Not_selected",-32.00996955,-12.02292201]
[286,"NC(=O)c1ccc(N)cc1","Not_selected",46.0063826,-9.920170384]
[287,"NC(=O)c1ccc(N)nc1","Not_selected",5.476384257,6.861177393]
[288,"NC(=O)c1cccc(N)c1","Not_selected",50.88729977,5.814954246]
[289,"NC(=O)c1ccccc1N","Not_selected",-47.05553992,-3.448179203]
[290,"NC(=O)c1ccncc1N","Not_selected",-16.26596754,0.80289713]
[291,"N[n+]1ccccc1","Not_selected",-6.931661934,8.298907733]
[292,"Nc1c(F)cc(F)cc1F","Not_selected",0.78933971,-4.702603616]
[293,"Nc1c(F)cccc1F","Not_selected",-30.1318387,-10.0395236]
[294,"Nc1c(O)ccc2ccccc12","Not_selected",-31.75335203,2.546153509]
[295,"Nc1c([N+](=O)[O-])ccc2ncccc12","Not_selected",-42.48458195,13.95062757]
[296,"Nc1c2c(nc3ccccc13)CCCC2","Not_selected",-12.17874228,8.667910828]
[297,"Nc1c2ccccc2nc2ccccc12","Not_selected",-11.56266594,7.872118612]
[298,"Nc1cc(-c2ccccc2)nn1-c1ccccc1","Not_selected",24.36426554,50.57750066]
[299,"Nc1cc(C(=O)O)cc(C(=O)O)c1","Not_selected",46.46968904,8.515477078]
[300,"Nc1cc(C(=O)O)cc(C(F)(F)F)c1","Not_selected",47.02873667,9.12878275]
[301,"Nc1cc(C(=O)O)ccc1C(=O)O","Not_selected",-20.58516525,-53.1822404]
[302,"Nc1cc(C(=O)O)ccc1C(F)(F)F","Not_selected",-18.12008025,-54.24785972]
[303,"Nc1cc(C(=O)O)ccc1F","Not_selected",-19.22676759,-54.63480291]
[304,"Nc1cc(C(=O)O)ccc1O","Not_selected",-20.14348513,-55.99589084]
[305,"Nc1cc(C(=O)O)ccc1[N+](=O)[O-]","Not_selected",-36.20455621,-48.29629238]
[306,"Nc1cc(C(F)(F)F)ccc1C(=O)O","Not_selected",-20.20768924,-51.11550724]
[307,"Nc1cc(F)c(F)c(F)c1","Not_selected",2.739819287,-4.537975602]
[308,"Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]","Not_selected",-38.80114247,-43.39451715]
[309,"Nc1cc(F)cc(C(F)(F)F)c1","Not_selected",3.952072538,-1.958642184]
[310,"Nc1cc(F)cc(F)c1","Not_selected",2.135535431,-3.544878579]
[311,"Nc1cc(F)ccc1-n1ccnc1","Not_selected",-1.976767911,-60.31161889]
[312,"Nc1cc(F)ccc1F","Not_selected",-11.44498238,-29.86628059]
[313,"Nc1cc(F)cnc1O","Not_selected",-4.214169127,-3.818084276]
[314,"Nc1cc(O)ccn1","Not_selected",-26.01701623,22.66856747]
[315,"Nc1cc(S(F)(F)(F)(F)F)ccc1F","Not_selected",-12.99706661,-29.59791665]
[316,"Nc1cc([N+](=O)[O-])ccc1C(=O)O","Not_selected",-14.04802612,-20.30557552]
[317,"Nc1cc([N+](=O)[O-])ccn1","Not_selected",-26.56969891,24.22246664]
[318,"Nc1cc2ccccc2cc1O","Not_selected",-32.56943135,-1.502948048]
[319,"Nc1cc2ccccc2cn1","Not_selected",-10.95401392,19.28498183]
[320,"Nc1ccc(-c2ccc(O)cc2)cc1","Not_selected",22.81181375,-6.662320723]
[321,"Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1","Not_selected",-9.137546824,-15.3170012]
[322,"Nc1ccc(-c2ccccn2)cc1","Not_selected",18.18934839,21.10667237]
[323,"Nc1ccc(-c2cccnc2)cc1","Not_selected",0.044924206,16.32308845]
[324,"Nc1ccc(-c2cccs2)nc1","Not_selected",29.07497605,35.98114102]
[325,"Nc1ccc(-c2nc3ccccc3s2)cc1","Not_selected",-57.81263193,23.82813523]
[326,"Nc1ccc(-n2cccn2)cc1","Not_selected",26.43722867,-38.23467478]
[327,"Nc1ccc(-n2ccnc2)cc1","Not_selected",27.08681836,-36.74351473]
[328,"Nc1ccc(/C=C/C(=O)O)cc1","Not_selected",48.37850438,-17.76479232]
[329,"Nc1ccc(/N=N/c2ccccc2)cc1","Not_selected",24.02661594,-2.054338218]
[330,"Nc1ccc(C(=O)C(=O)c2ccccc2)cc1","Not_selected",42.88155279,-11.89550487]
[331,"Nc1ccc(C(=O)C(F)(F)F)cc1","Not_selected",47.39948087,-10.98740287]
[332,"Nc1ccc(C(=O)O)cc1","Not_selected",45.82805783,-9.794646048]
[333,"Nc1ccc(C(=O)O)cc1O","Not_selected",-20.30054634,-56.97413059]
[334,"Nc1ccc(C(=O)O)cn1","Not_selected",5.469389789,6.86860916]
[335,"Nc1ccc(C(=O)[O-])cc1","Not_selected",45.81378377,-10.352625]
[336,"Nc1ccc(C(F)(F)F)cc1","Not_selected",11.03938782,0.299848188]
[337,"Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]","Not_selected",-33.74188087,-44.06721727]
[338,"Nc1ccc(C2CC2)cc1","Not_selected",28.07561922,-18.26644033]
[339,"Nc1ccc(C2CCCCC2)cc1","Not_selected",28.08770044,-18.28202814]
[340,"Nc1ccc(CC(=O)O)c(F)c1","Not_selected",2.509875248,-17.64966794]
[341,"Nc1ccc(CC(=O)O)cc1","Not_selected",48.61045767,-26.30725186]
[342,"Nc1ccc(CC(=O)O)cc1F","Not_selected",-5.007383878,-35.08353876]
[343,"Nc1ccc(CCN2CCCC2)cc1","Not_selected",43.707238,-30.2304587]
[344,"Nc1ccc(CCO)cc1","Not_selected",49.23069863,-30.22185838]
[345,"Nc1ccc(CN2CCCC2)cc1","Not_selected",43.03592741,-29.87125756]
[346,"Nc1ccc(CO)cc1","Not_selected",49.39092227,-29.13223687]
[347,"Nc1ccc(CO)cc1F","Not_selected",-5.324276175,-34.80332305]
[348,"Nc1ccc(Cc2ccccc2)cc1","Not_selected",37.12755035,-22.18633838]
[349,"Nc1ccc(Cn2ccnc2)cc1","Not_selected",38.48569776,-34.47187964]
[350,"Nc1ccc(F)c(C(=O)O)c1","Not_selected",11.33418219,-47.85084867]
[351,"Nc1ccc(F)c(C(F)(F)F)c1","Not_selected",2.676853252,-20.59114922]
[352,"Nc1ccc(F)c(F)c1F","Not_selected",-29.79843582,-12.31524847]
[353,"Nc1ccc(F)cc1","Not_selected",18.07194751,-8.213620835]
[354,"Nc1ccc(F)cc1C(=O)O","Not_selected",-8.571536185,-28.12604131]
[355,"Nc1ccc(F)cc1O","Not_selected",-8.514138038,-29.57273112]
[356,"Nc1ccc(F)cn1","Not_selected",9.493904341,8.407872026]
[357,"Nc1ccc(F)nc1","Not_selected",28.18777091,37.54478198]
[358,"Nc1ccc(F)nn1","Not_selected",-20.78791301,30.81773362]
[359,"Nc1ccc(N2CCCC2)cc1","Not_selected",16.02796834,-35.50858934]
[360,"Nc1ccc(N2CCCCC2)cc1","Not_selected",15.93673962,-34.11499669]
[361,"Nc1ccc(N2CCNC(=O)C2)cc1","Not_selected",14.54375328,-33.83549897]
[362,"Nc1ccc(N2CCOCC2)c(C(=O)O)c1","Not_selected",15.79716966,-46.70068588]
[363,"Nc1ccc(N2CCOCC2)cc1","Not_selected",15.44425882,-36.67908287]
[364,"Nc1ccc(N2CCOCC2=O)cc1","Not_selected",16.15523903,-37.52463864]
[365,"Nc1ccc(O)c(-c2nc3ccccc3o2)c1","Not_selected",40.32576929,18.60267935]
[366,"Nc1ccc(O)c(C(=O)O)c1","Not_selected",11.30547806,-48.56540501]
[367,"Nc1ccc(O)c(F)c1","Not_selected",3.964470792,-17.93425588]
[368,"Nc1ccc(O)c2ccccc12","Not_selected",-34.58151128,-1.262669292]
[369,"Nc1ccc(O)c2ncccc12","Not_selected",-36.57092192,14.30069123]
[370,"Nc1ccc(O)cc1","Not_selected",22.34744316,-6.820885128]
[371,"Nc1ccc(O)cc1F","Not_selected",-7.839943312,-32.20407472]
[372,"Nc1ccc(O)cc1[N+](=O)[O-]","Not_selected",-34.27141626,-47.34144753]
[373,"Nc1ccc(O)cn1","Not_selected",9.350649715,9.338047921]
[374,"Nc1ccc(O)nc1","Not_selected",28.66015548,37.83943177]
[375,"Nc1ccc(OC(F)(F)F)cc1","Not_selected",21.18391918,-15.40588124]
[376,"Nc1ccc(OC(F)F)cc1","Not_selected",20.44019971,-14.02877365]
[377,"Nc1ccc(OCCN2CCOCC2)cc1","Not_selected",63.304215,-16.9050825]
[378,"Nc1ccc(Oc2ccc(F)cc2)cc1","Not_selected",16.99863267,-8.207334241]
[379,"Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1","Not_selected",-7.77508158,-14.67442767]
[380,"Nc1ccc(Oc2ccccc2)nc1","Not_selected",13.73847739,-9.549514274]
[381,"Nc1ccc(Oc2ccccc2F)cc1","Not_selected",16.06498473,-13.1317158]
[382,"Nc1ccc(Oc2ccncc2)cc1","Not_selected",15.09672954,-6.907635259]
[383,"Nc1ccc(S(=O)(=O)C(F)(F)F)cc1","Not_selected",29.91353475,-52.90474061]
[384,"Nc1ccc(S(=O)(=O)CC2CCCO2)cc1","Not_selected",27.23296622,-52.65387842]
[385,"Nc1ccc(S(=O)(=O)CCO)cc1","Not_selected",27.23250789,-54.08340582]
[386,"Nc1ccc(S(=O)(=O)NCC2CC2)cc1","Not_selected",29.26350988,-59.26575633]
[387,"Nc1ccc(S(=O)(=O)NCCO)cc1","Not_selected",29.82587955,-60.43922784]
[388,"Nc1ccc(S(=O)(=O)O)cc1","Not_selected",30.65970958,-54.34096537]
[389,"Nc1ccc(S(=O)(=O)c2ccccc2)cc1","Not_selected",31.69544118,-51.63110352]
[390,"Nc1ccc(S(F)(F)(F)(F)F)cc1","Not_selected",21.25105806,0.77487399]
[391,"Nc1ccc(S(N)(=O)=O)cc1","Not_selected",30.0037587,-53.98397955]
[392,"Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1","Not_selected",-9.539196064,-13.97277153]
[393,"Nc1ccc(Sc2ccccc2)cc1","Not_selected",-1.693220121,6.612701634]
[394,"Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1","Not_selected",-0.674874368,-19.16727071]
[395,"Nc1ccc([N+](=O)[O-])c(F)c1","Not_selected",-0.155852632,-18.62341163]
[396,"Nc1ccc([N+](=O)[O-])c2ccccc12","Not_selected",-39.375294769999996,-38.76129028]
[397,"Nc1ccc([N+](=O)[O-])cc1C(=O)O","Not_selected",-14.00279393,-20.01053318]
[398,"Nc1ccc2c(c1)CCC2","Not_selected",7.61652746,16.51570803]
[399,"Nc1ccc2c(c1)CCCC2=O","Not_selected",7.264744016,16.42765632]
[400,"Nc1ccc2c(c1)Cc1ccccc1-2","Not_selected",-4.644356936,6.001751386]
[401,"Nc1ccc2c(c1)OC(F)(F)O2","Not_selected",49.43478701,26.61261734]
[402,"Nc1ccc2c(c1)OCCO2","Not_selected",48.09309083,27.4502627]
[403,"Nc1ccc2c(c1)OCO2","Not_selected",48.32587895,27.2850129]
[404,"Nc1ccc2c3c(cccc13)-c1ccccc1-2","Not_selected",-56.42743381,-10.90012673]
[405,"Nc1ccc2c3c(cccc13)C(=O)NC2=O","Not_selected",-56.48625309,-10.97238303]
[406,"Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1","Not_selected",32.34425478,-54.1587169]
[407,"Nc1ccc2cc3ccccc3cc2c1","Not_selected",-43.79487075,38.03989995]
[408,"Nc1ccc2ccc3cccc4ccc1c2c34","Not_selected",-54.72988015,-7.779995208]
[409,"Nc1ccc2ccccc2n1","Not_selected",-10.35341129,13.73341702]
[410,"Nc1cccc(-c2ccc3c(c2)CCCC3)n1","Not_selected",8.278013874,23.15977647]
[411,"Nc1cccc(-c2cccc(C(=O)O)c2)c1","Not_selected",49.72733262,4.101407994]
[412,"Nc1cccc(-c2ccccc2)c1","Not_selected",27.70747369,12.68391208]
[413,"Nc1cccc(-c2ccncc2)c1","Not_selected",27.88778444,13.96612794]
[414,"Nc1cccc(-c2ccsc2)c1","Not_selected",26.36305667,12.96801196]
[415,"Nc1cccc(-c2cnco2)c1","Not_selected",28.08953989,16.79059392]
[416,"Nc1cccc(-c2nc3ccccc3o2)c1","Not_selected",37.72419743,18.2455701]
[417,"Nc1cccc(-n2cccc2)c1","Not_selected",27.90091653,-34.64133399]
[418,"Nc1cccc(-n2ccnc2)c1","Not_selected",27.91750969,-34.86765286]
[419,"Nc1cccc(C#Cc2ncccc2O)c1","Not_selected",33.45712977,-1.485895588]
[420,"Nc1cccc(C(=O)O)c1C(=O)O","Not_selected",-43.70602182,-6.22123437]
[421,"Nc1cccc(C(=O)O)n1","Not_selected",-17.31515215,15.2250994]
[422,"Nc1cccc(C(F)(F)F)c1","Not_selected",18.02264645,5.161547652]
[423,"Nc1cccc(CC(=O)O)c1","Not_selected",36.13661512,-27.48277105]
[424,"Nc1cccc(CN2CCCC2)c1","Not_selected",41.78468103,-29.40191538]
[425,"Nc1cccc(CO)c1","Not_selected",37.78960298,-26.16654344]
[426,"Nc1cccc(Cn2ccnc2)c1","Not_selected",38.44687738,-34.32140555]
[427,"Nc1cccc(F)c1","Not_selected",22.14503869,4.891334036]
[428,"Nc1cccc(N2CCCC2)c1","Not_selected",10.06698911,-38.66207593]
[429,"Nc1cccc(N2CCOCC2)c1","Not_selected",11.3861291,-38.56750798]
[430,"Nc1cccc(O)c1","Not_selected",22.87088527,5.941838851]
[431,"Nc1cccc(OCc2ccccc2)c1","Not_selected",33.1975834,4.615911555]
[432,"Nc1cccc(Oc2ccccc2)c1","Not_selected",11.16941079,-8.614235127]
[433,"Nc1cccc(S(F)(F)(F)(F)F)c1","Not_selected",21.77016983,2.536733855]
[434,"Nc1cccc([N+](=O)[O-])c1","Not_selected",-28.20427415,27.58833944]
[435,"Nc1cccc2c(=O)[nH][nH]c(=O)c12","Not_selected",-29.74711183,-14.83440013]
[436,"Nc1cccc2c(O)nnc([O-])c12","Not_selected",-36.98765343,8.43229506]
[437,"Nc1cccc2c(S(=O)(=O)O)cccc12","Not_selected",-53.46749093,-20.90739716]
[438,"Nc1cccc2c1C(=O)NC2=O","Not_selected",-61.59903553,-13.57327506]
[439,"Nc1cccc2c1C(=O)c1ccccc1C2=O","Not_selected",-61.70705479,-13.6400142]
[440,"Nc1cccc2cc3ccccc3cc12","Not_selected",-33.37467727,4.123049907]
[441,"Nc1cccc2ccccc12","Not_selected",-32.24765351,4.11304152]
[442,"Nc1cccc2cnccc12","Not_selected",-31.54891667,4.460420824]
[443,"Nc1cccc2cncnc12","Not_selected",-31.00529276,12.56149956]
[444,"Nc1cccc2ncccc12","Not_selected",-39.54298702,11.65602047]
[445,"Nc1ccccc1","Not_selected",-4.520124437,10.87516223]
[446,"Nc1ccccc1-c1ccccc1","Not_selected",-4.328055158,8.97361288]
[447,"Nc1ccccc1-n1ccnc1","Not_selected",-0.675413256,-58.99683668]
[448,"Nc1ccccc1C(=O)O","Not_selected",-46.9032961,-3.862126391]
[449,"Nc1ccccc1C=O","Not_selected",-38.15760363,-1.732637081]
[450,"Nc1ccccc1CC(=O)O","Not_selected",-34.0572986,-22.5535335]
[451,"Nc1ccccc1CN1CCCC1","Not_selected",-5.123988119,-47.39228347]
[452,"Nc1ccccc1CN1CCOCC1","Not_selected",-4.834195244,-47.83802087]
[453,"Nc1ccccc1CO","Not_selected",-33.83008385,-23.55728258]
[454,"Nc1ccccc1Cc1ccccc1","Not_selected",-32.3302294,-23.91359378]
[455,"Nc1ccccc1F","Not_selected",-31.0861631,-10.26753905]
[456,"Nc1ccccc1N1CCCC1","Not_selected",2.360778476,-54.52689171]
[457,"Nc1ccccc1N1CCOCC1","Not_selected",2.696860201,-54.83556024]
[458,"Nc1ccccc1O","Not_selected",-33.83609811,-2.267739036]
[459,"Nc1ccccc1OC(F)(F)F","Not_selected",-41.04341558,-15.8454632]
[460,"Nc1ccccc1OCc1ccccc1","Not_selected",-56.58471564,1.820847138]
[461,"Nc1ccccc1Oc1ccccc1","Not_selected",-39.72923301,-17.57475978]
[462,"Nc1ccccc1[N+](=O)[O-]","Not_selected",-40.60385128,-39.53041843]
[463,"Nc1ccccn1","Not_selected",-10.84984769,21.25968344]
[464,"Nc1cccnc1","Not_selected",-1.061085414,17.25830908]
[465,"Nc1cccnc1C(=O)O","Not_selected",-36.88551543,12.05933717]
[466,"Nc1cccnc1O","Not_selected",-37.56971913,12.63725244]
[467,"Nc1cccnc1Oc1ccc(F)cc1F","Not_selected",-45.58068964,7.219157286]
[468,"Nc1cccnn1","Not_selected",-12.07926218,21.54595244]
[469,"Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)n1","Not_selected",-31.31125012,60.14018867]
[470,"Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1","Not_selected",-33.76095685,58.55463557]
[471,"Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1","Not_selected",-30.76592305,59.46609476]
[472,"Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1","Not_selected",-33.01637585,58.44650095]
[473,"Nc1ccn2cnnc2c1","Not_selected",7.322963351,30.0832925]
[474,"Nc1ccn2nccc2c1","Not_selected",-3.883601259,15.33116857]
[475,"Nc1ccnc2cc(C(F)(F)F)ccc12","Not_selected",10.58320826,2.53194742]
[476,"Nc1ccncc1","Not_selected",-3.581279114,17.28381732]
[477,"Nc1ccncn1","Not_selected",-7.999126774,21.74230671]
[478,"Nc1ccnnc1","Not_selected",-2.869593278,17.83521186]
[479,"Nc1ccon1","Not_selected",-14.77577112,22.79561401]
[480,"Nc1cnc(-c2cccnc2)s1","Not_selected",-0.083802006,18.09547418]
[481,"Nc1cnc2ccccc2c1","Not_selected",-7.12478362,14.48278594]
[482,"Nc1cncc(C(=O)O)c1","Not_selected",43.99688478,8.466667027]
[483,"Nc1cncc(C(=O)O)n1","Not_selected",40.97290773,10.56216222]
[484,"Nc1cnccn1","Not_selected",-9.769842276,22.31226552]
[485,"Nc1cnn(Cc2cccc(F)c2)c1","Not_selected",14.94169445,31.48891224]
[486,"Nc1csc2nccnc12","Not_selected",-11.98663362,30.71422267]
[487,"Nc1nc(-c2ccc(O)cc2)cs1","Not_selected",42.04996401,30.65396248]
[488,"Nc1nc(-c2ccc3c(c2)OCCO3)cs1","Not_selected",46.19200959,28.65183219]
[489,"Nc1nc(-c2ccccc2)cs1","Not_selected",41.81813175,29.57470096]
[490,"Nc1nc(-c2cccnc2)cs1","Not_selected",41.29096787,28.55261465]
[491,"Nc1nc(=S)ss1","Not_selected",-10.94571284,35.07216776]
[492,"Nc1nc(C2CC2)no1","Not_selected",1.480803607,45.99784126]
[493,"Nc1nc(CC(=O)O)cs1","Not_selected",-9.818378788,58.75520605]
[494,"Nc1nc(O)c2nc(C=O)cnc2n1","Not_selected",-36.62498179,32.08823512]
[495,"Nc1nc(O)c2nc(O)cnc2n1","Not_selected",-36.14105355,32.0291171]
[496,"Nc1nc(O)c2nccnc2n1","Not_selected",-35.3934576,31.95319971]
[497,"Nc1nc(O)cc(O)n1","Not_selected",-7.127612034,26.1353792]
[498,"Nc1nc(O)ncc1F","Not_selected",-5.696393288,-2.807188531]
[499,"Nc1nc2cc(F)ccc2s1","Not_selected",-57.39882179,26.51802285]
[500,"Nc1nc2ccc(F)cc2o1","Not_selected",-6.905783218,-21.46906745]
[501,"Nc1nc2ccc(F)cc2s1","Not_selected",-57.66954374,27.23098496]
[502,"Nc1nc2ccc(OC(F)(F)F)cc2s1","Not_selected",-56.90410404,29.35388326]
[503,"Nc1nc2ccccc2s1","Not_selected",-57.80498707,24.38571701]
[504,"Nc1nc2ncccn2n1","Not_selected",-9.280756919,26.04731591]
[505,"Nc1ncc(-c2ccc(F)cc2)o1","Not_selected",18.66626908,-9.531425481]
[506,"Nc1ncc(F)cc1O","Not_selected",-4.538533823,-3.641809172]
[507,"Nc1ncc(Oc2ccccc2)c(O)n1","Not_selected",-38.77776905,-18.32809216]
[508,"Nc1ncc([N+](=O)[O-])s1","Not_selected",-14.27834915,37.09521683]
[509,"Nc1ncccc1C(=O)O","Not_selected",-36.61443917,16.74066972]
[510,"Nc1ncccc1C=O","Not_selected",-38.77966491,19.61537639]
[511,"Nc1ncccc1F","Not_selected",-38.02984216,18.03981326]
[512,"Nc1ncccc1O","Not_selected",-37.88353925,17.58415067]
[513,"Nc1ncccc1OCc1ccccc1","Not_selected",-56.66869465,2.156284803]
[514,"Nc1ncccc1[N+](=O)[O-]","Not_selected",-41.76974523,15.63426873]
[515,"Nc1ncccn1","Not_selected",-10.46817367,24.48871034]
[516,"Nc1nccnn1","Not_selected",-10.47283733,24.54955778]
[517,"Nc1ncco1","Not_selected",-12.61849185,24.81298418]
[518,"Nc1nccs1","Not_selected",-11.26968259,31.97035983]
[519,"Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1","Not_selected",-33.79324225,57.10139771]
[520,"Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1","Not_selected",-32.59939569,56.23293744]
[521,"Nc1ncnc2c1ncn2CCC(=O)O","Not_selected",-19.02729749,63.96714918]
[522,"Nc1ncncn1","Not_selected",-8.805473734,24.20680793]
[523,"Nc1nnc(-c2cccs2)o1","Not_selected",3.264520734,51.51766498]
[524,"Nc1nnc(C2CC2)o1","Not_selected",4.897494899,47.45656509]
[525,"Nc1nnc(C2CCC2)o1","Not_selected",4.996618089,47.48463477]
[526,"Nc1nncs1","Not_selected",-11.49018131,32.71151542]
[527,"Nc1noc2cc(F)ccc12","Not_selected",-33.25909448,43.07437882]
[528,"Nc1noc2ccc(F)cc12","Not_selected",-32.09576072,43.68324332]
[529,"Nc1noc2ccncc12","Not_selected",-31.49942513,41.26875034]
[530,"Nc1oc2ccccc2c(=O)c1C=O","Not_selected",-38.39249895,-0.167484072]
[531,"Nn1nnc2ccccc21","Not_selected",-7.342729414,11.2701344]
[532,"[N-]=[N+]=Nc1ccc(N)cc1","Not_selected",20.30185637,-7.195895215]
[533,"Nc1cc(Cc2ccccc2)ccc1","Final_selection",37.43009285,-23.48875487]
[534,"Cc1cccc(N)c1","Final_selection",22.61103175,7.495330303]
[535,"Cc1ccc(N)cc1","Final_selection",18.12929613,-4.823824127]
[536,"Cc1ccc(N)cn1","Final_selection",27.21337445,37.65014]
[537,"Cc1ccnc(N)c1","Final_selection",-25.95815144,22.63733292]
[538,"Cc1cc(N)ccn1","Final_selection",1.532621022,22.58557469]
[539,"N#Cc1conc1N","Final_selection",-16.25673851,23.01840923]
[540,"Nc1cncc(F)c1","Final_selection",1.178458193,-2.696178358]
[541,"Cc1noc(N)c1C","Final_selection",-0.460066436,40.78854506]
[542,"C#Cc1ccccc1N","Final_selection",-22.88793944,5.702375083]
[543,"N#Cc1ccc(N)cc1","Final_selection",28.43974285,-6.315049292]
[544,"CCc1ccc(N)cc1","Final_selection",51.15962119,-29.61465557]
[545,"Cc1cccc(N)c1C","Final_selection",-34.71798388,-7.861225985]
[546,"CCc1ccccc1N","Final_selection",-33.78776852,-24.679747]
[547,"Cc1ccc(N)cc1C","Final_selection",4.647900558,-14.74716114]
[548,"COc1ccccc1N","Final_selection",-41.57480087,-15.92014479]
[549,"COc1ccc(N)cc1","Final_selection",19.50131659,-15.28909672]
[550,"Cc1ccc(F)cc1N","Final_selection",-12.8061937,-33.15629435]
[551,"Cc1ccc(F)c(N)c1","Final_selection",-11.21903282,-30.71344918]
[552,"CCn1nc(C)cc1N","Final_selection",16.35071414,56.58830427]
[553,"CC(C)c1nnc(N)o1","Final_selection",1.589695983,51.20190257]
[554,"Nc1ccc(F)cc1F","Final_selection",-8.3023518,-30.60905338]
[555,"Nc1ccc(F)c(F)c1","Final_selection",3.718883069,-18.43863044]
[556,"Nc1cccc(F)c1F","Final_selection",-30.86362712,-11.46059346]
[557,"Nc1noc2ccccc12","Final_selection",-31.73082526,41.68274798]
[558,"CC(C)c1ccccc1N","Final_selection",-43.42408072,-23.84306657]
[559,"Nc1cccc(C(=O)O)c1","Final_selection",50.53554285,5.446352906]
[560,"Nc1ccc([N+](=O)[O-])cc1","Final_selection",-9.009970047,-14.97206738]
[561,"Nc1cnccc1C(=O)O","Final_selection",-16.26290239,0.807845066]
[562,"Nc1ccc(C(=O)O)nc1","Final_selection",30.15087525,38.65120071]
[563,"Nc1cccnc1[N+](=O)[O-]","Final_selection",-40.61098389,14.57199447]
[564,"Nc1ccc2ccccc2c1","Final_selection",-43.78476881,38.02944943]
[565,"Nc1cccc2cccnc12","Final_selection",-30.98225049,13.28547035]
[566,"Nc1ccc2ncccc2c1","Final_selection",-4.871774664,23.13366181]
[567,"Nc1cc(F)c(F)cc1F","Final_selection",-11.43721789,-28.26188232]
[568,"Nc1ccc2c(c1)C(=O)OC2","Final_selection",-1.781674627,9.534402539]
[569,"CC(C)(C)c1ccc(N)cc1","Final_selection",10.82646937,0.081641114]
[570,"Nc1ccc2ncsc2c1","Final_selection",-9.208629833,31.78741767]
[571,"COC(=O)c1ccc(N)cc1","Final_selection",49.83915402,-4.188488598]
[572,"Cc1cccc(C(=O)O)c1N","Final_selection",-39.12508346,-8.566170723]
[573,"Nc1cccc2nsnc12","Final_selection",-28.01605362,-10.24257588]
[574,"Nc1cc(C(F)(F)F)no1","Final_selection",-4.533994103,46.05768082]
[575,"Nc1ccc(C(=O)O)c(O)c1","Final_selection",11.04008508,-50.20396211]
[576,"COc1ccc(OC)c(N)c1","Final_selection",-20.63570276,-39.31995133]
[577,"COc1ccc(N)cc1OC","Final_selection",9.912549576,-23.10344389]
[578,"COc1cc(N)cc(OC)c1","Final_selection",17.44660813,-19.05220511]
[579,"Nc1ccc([N+](=O)[O-])cc1O","Final_selection",-12.49139492,-18.92434456]
[580,"Nc1cc(F)ccc1[N+](=O)[O-]","Final_selection",-39.089199,-44.04493004]
[581,"CCOC(=O)c1nnc(N)o1","Final_selection",-0.833539361,52.55036231]
[582,"COC(=O)c1sccc1N","Final_selection",-19.45725555,-9.965907643]
[583,"CC(C)(C)c1nnc(N)s1","Final_selection",-12.70006832,39.97212934]
[584,"Nc1ccccc1-n1cccc1","Final_selection",-0.277462435,-58.57834815]
[585,"Nc1ccc(-n2cccc2)cc1","Final_selection",26.89102634,-37.11012156]
[586,"Cc1nc(N)sc1[N+](=O)[O-]","Final_selection",-10.95288373,37.97615729]
[587,"Nc1ccccc1C(F)(F)F","Final_selection",-28.29107143,-5.107423419]
[588,"Nc1ccc(C(F)(F)F)cn1","Final_selection",9.319610822,7.019774978]
[589,"CCN(CC)c1ccc(N)cc1","Final_selection",28.82531021,-12.35237907]
[590,"CCOC(=O)c1ccccc1N","Final_selection",-49.4327757,-4.833898645]
[591,"COc1ccc(N)c(C(=O)O)c1","Final_selection",-18.07146763,-45.6594842]
[592,"Nc1ccc(-c2ccccc2)cc1","Final_selection",-3.797421574,10.48042999]
[593,"Nc1cccc(-c2cccnc2)c1","Final_selection",27.78707117,15.75224772]
[594,"Nc1cccc(-c2ccccn2)c1","Final_selection",18.39948971,20.98578213]
[595,"CCOC(=O)c1csc(N)n1","Final_selection",-10.48661459,54.53135743]
[596,"Nc1ccccc1S(N)(=O)=O","Final_selection",-52.56750376,-19.91689176]
[597,"CCOC(=O)c1nnc(N)s1","Final_selection",-14.451497,40.89131722]
[598,"Nc1cccc(-c2nccs2)c1","Final_selection",20.90315985,17.02792081]
[599,"Nc1cccc(N2CCCCC2)c1","Final_selection",9.902316187,-38.46174504]
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{"sheet":"36","index":36,"n_rows":38,"n_cols":108,"rows_kept":38,"merged":[[0,0,0,2],[1,1,1,2]]}
["Data associated with Fig 4b"]
["Average of 96 amines","TIDA 1",{"$nulls":8},"processed data:LC-MS",1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96]
["Conditions","LC-MS","NL-ADE-MS",{"$nulls":7},"Amine:",21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,"average"]
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["Data associated with Fig 4c"]
["Average of 8 TIDA boronates","Amine 68"]
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["Data associated with Fig 4d"]
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["Data associated with Extended Data Fig 8a-h"]
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[{"$nulls":7},{"v":8.615016452288364,"d":"9"},null,"F",2.652308305912853,16.940871472729086,49.27709642038089,63.8747631867584,10.563267911281315,5.6805489069730335,10.228179352162119,27.30173926918781,34.738557099943996,47.889618654854644,0.04582251412860852,69.1207168677766,24.2041312272175,9.09680032401782,2.519238558120697,5.208586472255974,3.2278088144009933,9.548934409269604,25.036209393751292,29.329608938547487,19.436964504283967,5.94859241126071,7.025703794369645,25.238678090575274,{"v":6.157989228007182,"d":"6"},null,4.0754039497307,27.432675044883304,41.40035906642729,61.77737881508079,8.422837761447145,6.726964386659129,12.266817410966647,26.540418315432447,22.26489321843387,42.95616335706257,2.8100412139378044,78.34394904458598,25.75930144267274,10.592255125284739,2.5056947608200457,4.479878511769172,4.301745635910224,11.824605153782212,23.732335827098918,52.119700748129674,10.380376821898329,6.07891930323498,8.176324209029506,15.215072875933167,null,null,"AcOH-3eq, Ti(OiPr)₄-5eq_DMF",{"v":26.417656391639465,"d":"26"},{"$nulls":8},"AcOH-3eq, Ti(OiPr)₄-5eq_DMF",{"v":19.294321629506797,"d":"19"}]
[{"$nulls":7},{"v":4.845946754412204,"d":"5"},null,"G",7.578023731179579,24.000398843354272,46.37551101804766,88.07458370724898,8.01021222275411,8.07403861496729,21.621190362214776,48.699537258656456,36.09286696196731,84.05885647370297,100,68.47411027951733,14.06237343053868,2.187120291616039,2.170919400567031,4.9169704333738355,3.4243740947651564,25.90523484378233,22.18084005793503,43.14090626939789,18.261933904528764,2.3255813953488373,9.987760097919217,19.681762545899634,{"v":3.3393177737881508,"d":"3"},null,4.973070017953321,22.621184919210055,56.15798922800718,78.50987432675045,6.161673261729791,7.405313736574336,21.763708309779535,50.93273035613341,35.28475084301236,45.22292993630573,64.77144998126639,100,21.24145785876993,1.4996203492786637,1.9362186788154898,7.4411541381928625,5.527847049044056,29.904405652535328,28.532834580216125,45.34497090606816,14.29079274795592,3.9104159260575897,6.754354781372201,24.70671880554568,null,null,"AcOH-5eq, Ti(OiPr)₄-5eq_DMF",{"v":14.533071668743931,"d":"15"},{"$nulls":8},"AcOH-5eq, Ti(OiPr)₄-5eq_DMF",{"v":10.5253431294314,"d":"11"}]
[{"$nulls":7},{"$f":"M5","v":{"v":42.975371422873664,"d":"43"}},null,"H",4.586698574135008,52.27839266128228,49.75570844550803,55.46913949546315,9.956917185256103,39.668102760491465,75.60236157651188,66.10818573480134,33.22132274324118,54.533883203502874,39.188432360877755,55.3688712387353,17.051437829080598,6.164439044147428,13.932766302146618,24.341838801134063,4.552038071591144,53.36230084833437,80.74694806538382,72.78088144009932,20.905752753977968,6.731946144430845,34.100367197062425,84.70012239902081,{"$f":"AM5","v":{"v":37.91741472172352,"d":"38"}},null,4.73967684021544,31.382405745062837,49.33572710951526,65.74506283662478,7.857546636517807,51.695873374788015,70.29395138496325,82.5607687959299,43.658673660547024,39.09704008992132,40.783064818284004,42.72199325590109,28.208048595292333,9.320425208807897,21.16552771450266,29.309035687167807,3.8445552784704904,57.14879467996675,69.03574397339983,98.48295926849543,23.746889441877,13.579808034127266,21.222893707785282,41.130465694987556,null,null,"AcOH-1eq, Ti(OiPr)₄-1eq_DMAc",{"$f":"BR4","v":{"v":32.986473828177985,"d":"33"}},{"$nulls":8},"AcOH-1eq, Ti(OiPr)₄-1eq_DMAc",{"$f":"CB4","v":{"v":29.001772894309244,"d":"29"}}]
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[{"$nulls":7},{"v":67.68371722006182,"d":"68"},null,"K",2.5426263834878853,24.020341011067902,42.04806062418985,35.447203110978165,10.48348492101484,2.808361257379927,6.318812829104835,12.557842667943195,31.352782444885698,46.71859884934575,95.63158698640599,72.54213125604602,20.51032806804374,1.7253948967193196,1.757796678817335,1.968408262454435,2.7001862197392925,7.614318228843368,13.314711359404097,26.0604179598593,20.514075887392902,2.1297429620563038,2.7906976744186047,5.5813953488372094,{"v":49.67684021543985,"d":"50"},null,4.919210053859964,23.662477558348293,43.37522441651706,41.23877917414722,7.546636517806671,6.105144149236857,6.81175805539853,15.969474279253816,35.9216935181716,65.69876358186586,67.89059572873735,64.79018358935932,27.923310554290055,1.8982536066818527,3.1890660592255125,2.164009111617312,4.71737323358271,11.990856192851206,13.653366583541148,26.911886949293432,24.884464984002843,3.306078919303235,5.6878777106292215,7.28759331674369,null,null,"AcOH-5eq, Ti(OiPr)₄-1eq_DMAc",{"v":55.53608317548585,"d":"56"},{"$nulls":8},"AcOH-5eq, Ti(OiPr)₄-1eq_DMAc",{"v":55.54091233912491,"d":"56"}]
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[{"$nulls":7},{"v":49.27709642038089,"d":"49"},null,"M",{"$f":"K17","v":4.995513012264433},10.3400139595174,14.029314986539037,26.45328547213082,14.88750598372427,35.742779639380885,36.26934737513962,37.88096377852242,29.78463418359554,42.36036861666921,49.51886360164961,66.25935542996793,42.9404617253949,100,51.06520858647226,22.96476306196841,2.1622180840057936,24.684460997310158,32.69190978688185,26.577695013449205,30.379436964504283,100,44.332925336597306,25.483476132190944,{"v":41.40035906642729,"d":"41"},null,{"$f":"AK17","v":5.152603231597846},9.587073608617594,14.578096947935368,19.299820466786354,9.723007348784623,29.169022046353874,59.97738835500282,36.856981345392875,24.15698763581866,43.70550768077932,52.67890595728738,68.30273510678157,59.92786636294609,94.89369779802581,64.0470766894457,26.518602885345484,1.7871986699916875,21.508728179551124,28.034081463009144,32.39817123857024,34.0917170280839,100,37.71773906861002,25.77319587628866,null,null,"AcOH-2eq, Ti(OiPr)₄-2eq_DMAc",{"v":15.688708338818877,"d":"16"},{"$nulls":8},"AcOH-2eq, Ti(OiPr)₄-2eq_DMAc",{"v":15.14859541471337,"d":"15"}]
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[{"$nulls":7},{"v":49.75570844550803,"d":"50"},null,"O",6.979758699770665,8.615016452288364,20.62020141589391,14.507927011666169,17.121429711185574,6.957076751236636,10.882399872347216,13.291846178394767,28.420141540654754,78.05101573239652,85.30624713609286,81.6862685199328,26.326447954637505,13.317132442284326,24.08262454434994,11.510733090319967,1.4690668321953237,15.580384854127871,9.373060211049038,15.839023380922823,27.00122399020808,35.98531211750306,16.13219094247246,13.096695226438188,{"v":49.33572710951526,"d":"49"},null,3.6983842010771992,6.157989228007182,13.662477558348295,19.802513464991023,13.736574335782928,5.9355568117580555,14.386659129451667,8.451102317693612,24.00711877107531,49.241288872236794,57.87748220307231,64.87448482577744,38.66742596810934,14.711465451784358,29.726651480637813,14.123006833712983,2.826267664172901,14.941812136325852,9.871155444721529,14.526184538653366,33.73622467116957,24.777817276928545,16.60149306789904,17.774617845716318,null,null,"AcOH-5eq, Ti(OiPr)₄-2eq_DMAc",{"v":48.88776399124843,"d":"49"},{"$nulls":8},"AcOH-5eq, Ti(OiPr)₄-2eq_DMAc",{"v":45.30615145140839,"d":"45"}]
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["Data associated with Extended Data Fig 9d",{"$nulls":5},"Clarithromycin derivative 5 C-N coupling: 384 Data points",{"$nulls":55},"Clarithromycin derivative 5 C-C coupling:  64 conditions"]
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[{"$nulls":7},{"v":43.30361937493287,"d":"43"},null,"F",1.278058210718505,20.55633122113629,66.93158629577918,46.32155514982279,9.294871794871796,64.95726495726495,48.504273504273506,46.901709401709404,0.3121098626716604,1.9975031210986267,2.871410736579276,3.2459425717852683,5.9456853607584765,45.58894423911297,16.85682146874498,24.9718785151856,13.912658601357332,33.46119799350841,24.90410150486869,40.86751254057244,2.4660291897332662,50.37745344740815,45.093105183694014,60.342224458983395,{"v":35.99631633475308,"d":"36"},null,1.6691608150109358,20.294693219753654,98.52653390123173,46.08034994819846,19.523809523809526,42.244897959183675,82.72108843537416,38.36734693877551,0.43613707165109034,4.299065420560748,10.59190031152648,3.0529595015576323,7.941867293012331,42.93893129770992,28.024075161479743,37.75689958896066,22.249620637329286,53.698786039453715,25.948406676783005,62.19650986342944,6.482213438735178,25.09881422924901,39.56521739130435,70.31620553359684,null,null,"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":52.518639612290436,"d":"53"},{"$nulls":8},"tBu3P Pd G3, Cs2CO3_DMF-H2O",{"v":45.24340111416475,"d":"45"}]
[{"$nulls":7},{"v":25.94780367307486,"d":"26"},null,"G",27.440661583073783,39.8990441413382,57.45891955751262,72.3982386424659,15.17094017094017,57.37179487179487,69.55128205128206,37.5,2.309612983770287,21.22347066167291,75.53058676654182,17.478152309612984,11.42535754459264,100,48.915314157158925,46.7138036316889,28.09088226615521,38.403658896429626,56.16701091767483,49.0705222779581,3.9758429793658783,92.85354806240564,86.3613487669854,38.75188726723704,{"v":42.16645562334523,"d":"42"},null,34.75307931391735,35.38620927823184,36.87118683089674,100,22.517006802721088,44.82993197278912,49.72789115646258,79.59183673469387,6.728971962616822,21.682242990654206,63.925233644859816,22.6791277258567,13.006459189665296,46.432765707574866,46.71168526130358,29.565472695243688,27.503793626707132,64.47268588770865,90.04172989377845,94.49924127465857,6.403162055335969,52.29249011857708,62.84584980237154,44.426877470355734,null,null,"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":41.41769507899053,"d":"41"},{"$nulls":8},"XantPhos Pd G4, Cs2CO3_DMF-H2O",{"v":43.10520581792276,"d":"43"}]
[{"$nulls":7},{"$f":"M5","v":{"v":7.36762968531844,"d":"7"}},null,"H",17.36655568682204,49.17839115025239,46.880034367951886,31.682955643862098,14.102564102564102,45.51282051282051,50.427350427350426,34.401709401709404,0.9363295880149812,6.679151061173533,45.44319600499376,26.27965043695381,6.283143178531255,73.08372167764743,32.82982484332316,37.32926241362687,24.313956919445264,28.990852758925936,33.71200944231337,52.52286810268516,2.5666834423754405,52.94413688978359,29.290387518872674,49.92450931051837,{"$f":"AM5","v":{"v":8.483941521814206,"d":"8"}},null,8.875330954299528,35.22504892367906,67.28444802578565,62.40359157361575,15.714285714285714,46.46258503401361,56.59863945578231,57.414965986394556,4.922118380062305,5.919003115264798,44.361370716510905,24.98442367601246,6.00411039342337,53.15619495008808,69.31884908984145,41.89665296535526,46.680576631259484,41.047040971168435,85.7928679817906,100,4.940711462450593,81.46245059288538,100,47.66798418972332,null,null,"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"BR4","v":{"v":2.6326139853996007,"d":"3"}},{"$nulls":8},"RuPhos G4, DBU_DMSO-tAmOH",{"$f":"CB4","v":{"v":4.990890800229886,"d":"5"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":20.105251852647406,"d":"20"}},null,"I",7.732789174095156,29.986038019546772,33.37987326817743,100,42.2008547008547,27.136752136752136,61.75213675213675,45.4059829059829,4.49438202247191,5.056179775280899,45.19350811485643,16.10486891385768,12.678772296320103,51.56676843965933,58.54089667363008,60.11569982323638,33.210386544703454,25.007376807317794,53.79167896134553,65.15196223074653,7.649723200805234,96.22546552591847,91.24308002013085,50.27679919476598,{"$f":"AM6","v":{"v":23.81719811212156,"d":"24"}},null,5.272245884655232,22.240128928283642,49.556809024979856,54.95568090249799,31.224489795918366,39.183673469387756,31.428571428571427,71.36054421768708,5.046728971962617,11.77570093457944,48.03738317757009,10.280373831775702,15.017615971814445,56.2096300645919,58.8667058132707,31.752789195537286,21.01669195751138,32.39757207890744,65.64871016691957,71.26327769347496,9.24901185770751,46.126482213438734,58.30039525691699,43.91304347826087,null,null,"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"v":5.805201711342485,"d":"6"},{"$nulls":8},"tBuXphos Pd G4, DBU_DMSO-tAmOH",{"$f":"CB5","v":{"v":8.045580746096922,"d":"8"}}]
[{"$nulls":7},{"v":4.618193534529052,"d":"5"},null,"J",8.302008377188272,17.527655461282354,47.84663301471378,31.350016109977446,17.307692307692307,31.837606837606838,44.337606837606835,23.29059829059829,1.5605493133583022,1.2484394506866416,3.058676654182272,4.9937578027465666,18.126305640366382,77.1010766511329,28.90888638920135,38.88799614333922,24.372971377987607,56.10799645913249,34.37592210091472,32.605488344644435,12.833417211877201,52.23955712128837,62.30498238550579,24.962254655259184,{"v":4.788764820996892,"d":"5"},null,6.780246345113388,24.841717508921377,22.53942672959595,46.39115920340739,12.312925170068027,47.414965986394556,25.578231292517007,41.156462585034014,1.9937694704049844,2.4922118380062304,3.67601246105919,5.669781931464175,10.716382853787435,44.274809160305345,21.344685848502643,35.61362301820317,22.496206373292868,48.501517450682854,48.558421851289836,34.465098634294385,10.553359683794467,51.26482213438735,47.74703557312253,27.90513833992095,null,null,"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":2.626363006873621,"d":"3"},{"$nulls":8},"tBu3P Pd G3, DBU_DMSO-tAmOH",{"v":3.0926822236282607,"d":"3"}]
[{"$nulls":7},{"v":30.125657824079045,"d":"30"},null,"K",5.509612286542799,26.431102996455806,43.7224787885297,63.33369133283213,25.534188034188034,84.4017094017094,51.388888888888886,26.923076923076923,3.4332084893882646,10.736579275905118,21.036204744069913,5.056179775280899,44.20697412823397,63.168889603085326,35.24023782741443,14.9445605013659,25.553260548834466,38.59545588669224,21.39274122159929,40.852758925936854,19.778560644187216,83.89531957725214,46.602918973326624,45.495722194262704,{"v":35.91573615747669,"d":"36"},null,9.427880741337631,27.420283181765857,49.556809024979856,60.273972602739725,21.904761904761905,60.95238095238095,65.23809523809524,44.5578231292517,4.423676012461059,5.669781931464175,54.018691588785046,5.046728971962617,19.010569583088667,27.231356429829713,42.60129183793306,14.489136817381093,30.937025796661608,36.39984825493171,59.009863429438546,55.747344461305005,8.102766798418973,85.37549407114625,30.31620553359684,39.56521739130435,null,null,"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":9.880668952392837,"d":"10"},{"$nulls":8},"XantPhos Pd G4, DBU_DMSO-tAmOH",{"v":13.128293631244562,"d":"13"}]
[{"$nulls":7},{"v":26.46332295134787,"d":"26"},null,"L",12.694662227472882,8.78530770056922,47.49221351090109,54.000644399097844,12.713675213675213,39.636752136752136,47.11538461538461,31.303418803418804,3.807740324594257,5.68039950062422,12.85892634207241,6.928838951310861,13.369757351759601,36.397236059778244,57.60887031978145,{"$f":"Z16","v":17.467459424714768},41.00029507229271,43.7002065506049,53.36382413691354,100,14.645193759436337,44.28787116255662,62.50629089079013,0,{"v":68.5737308622079,"d":"69"},null,6.860826522389778,11.396339357660873,34.17750661908599,69.96661678369978,37.89115646258504,48.2312925170068,52.38095238095238,38.2312925170068,2.554517133956386,3.7383177570093458,16.7601246105919,11.526479750778817,13.123899001761597,58.8667058132707,29.638872577803877,{"$f":"AZ16","v":10.55490311215502},21.585735963581183,42.811077389984824,58.47875569044006,71.90819423368741,12.25296442687747,35.098814229249015,32.17391304347826,0.2766798418972332,null,null,"RuPhos G4, BTMG_DMSO-tAmOH",{"v":67.06244146157705,"d":"67"},{"$nulls":8},"RuPhos G4, BTMG_DMSO-tAmOH",{"v":69.16940117251103,"d":"69"}]
[{"$nulls":7},{"v":66.93158629577918,"d":"67"},null,"M",{"$f":"K17","v":7.453549565030609},38.81430565997208,34.27129202019117,24.079046289335196,9.722222222222221,54.27350427350427,15.598290598290598,8.547008547008547,0.18726591760299627,15.543071161048688,13.17103620474407,2.247191011235955,2.7478708018640527,47.694038245219346,3.8887996143339225,0.6588462156516149,26.453231041605193,46.72469755089997,13.101209796400118,2.4343464148716434,3.875188726723704,78.45998993457474,11.977856064418722,0,{"v":98.52653390123173,"d":"99"},null,{"$f":"AK17","v":6.964429607459422},56.21042937723034,36.47979739841142,17.38229538390699,29.31972789115646,100,19.65986394557823,25.374149659863946,0.9968847352024922,19.75077881619938,9.096573208722742,1.8691588785046729,2.524955960070464,31.180270111567822,7.853787433940106,1.4826776277157956,20.8649468892261,65.44006069802731,20.78907435508346,4.836874051593323,2.0948616600790513,87.31225296442688,18.023715415019762,0.15810276679841898,null,null,"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":34.193549782323274,"d":"34"},{"$nulls":8},"tBuXphos Pd G4, BTMG_DMSO-tAmOH",{"v":47.56287031294991,"d":"48"}]
[{"$nulls":7},{"v":57.45891955751262,"d":"57"},null,"N",4.618193534529052,28.76167973364837,19.74009236387069,11.491783911502523,3.952991452991453,26.70940170940171,6.410256410256411,9.935897435897436,0.9363295880149812,6.054931335830212,3.5580524344569286,0.686641697877653,1.2534147517274625,34.35641973324763,3.197814558894424,2.0247469066366706,9.693124815579816,35.30539982295662,5.871938624963116,1.6524048391856005,3.5732259687971815,52.08857574232511,9.310518369401107,0,{"v":36.87118683089674,"d":"37"},null,11.384827903764245,45.97674686312881,50.535282606193164,6.573040174974099,19.047619047619047,65.78231292517007,25.510204081632654,9.795918367346939,2.1806853582554515,7.102803738317757,6.292834890965732,1.557632398753894,3.5965942454492072,48.73752201996477,3.8021139166177336,1.262477980035232,9.465098634294385,51.83990895295903,9.465098634294385,1.7450682852807284,4.2687747035573125,54.78260869565217,5.256916996047431,0,null,null,"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":65.66407703619261,"d":"66"},{"$nulls":8},"tBu3P Pd G3, BTMG_DMSO-tAmOH",{"v":58.35392943161212,"d":"58"}]
[{"$nulls":7},{"v":46.880034367951886,"d":"47"},null,"O",8.194608527548061,43.30361937493287,33.14359359896896,10.589625174524755,16.025641025641026,23.183760683760685,7.051282051282051,8.867521367521368,7.116104868913857,39.95006242197253,36.142322097378276,1.435705368289638,6.251004338743371,47.91901012373453,7.038405913546521,0.8516792543789169,11.670109176748303,60.75538506934199,9.530835054588374,5.798170551785187,18.16809260191243,100,12.279818822345245,0,{"v":67.28444802578565,"d":"67"},null,8.011971912052493,35.99631633475308,58.973178312420856,9.174628755611833,28.027210884353742,45.91836734693877,31.564625850340136,23.06122448979592,5.794392523364486,17.694704049844237,31.713395638629283,3.67601246105919,11.186142102172637,45.40516735173224,5.783910745742807,1.82031708749266,15.648710166919575,42.84901365705615,15.705614567526556,5.7663125948406675,12.885375494071146,83.59683794466403,13.91304347826087,0.039525691699604744,null,null,"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":39.76380043413421,"d":"40"},{"$nulls":8},"XantPhos Pd G4, BTMG_DMSO-tAmOH",{"v":70.55936254495181,"d":"71"}]
[{"$nulls":7},{"v":33.37987326817743,"d":"33"},null,"P",9.333046933734293,25.94780367307486,7.754269144023199,4.639673504457094,4.273504273504273,35.363247863247864,5.128205128205129,4.05982905982906,5.617977528089888,28.089887640449437,0.686641697877653,0.062421972534332085,10.637955969789491,40.88060421018801,0,0.4499437570303712,26.128651519622306,55.768663322514016,5.930953083505459,8.02596636175863,9.511826874685456,62.45596376446905,6.743834927025667,0,{"v":49.556809024979856,"d":"50"},null,11.879820421319213,42.16645562334523,9.496949464717394,5.191665707378842,13.741496598639456,66.80272108843538,7.27891156462585,8.16326530612245,7.912772585669782,23.2398753894081,3.7383177570093458,1.0591900311526479,8.440986494421608,41.294773928361714,0.7486788021139166,0.5431591309453905,48.19802731411229,42.24203338391502,8.858118361153263,8.0804248861912,5.019762845849803,42.88537549407115,4.466403162055336,0.23715415019762845,null,null,"RuPhos G4, MTBD_DMSO-tAmOH",{"v":57.316862298379505,"d":"57"},{"$nulls":8},"RuPhos G4, MTBD_DMSO-tAmOH",{"v":51.973095811371444,"d":"52"}]
[{"$nulls":7},{"v":47.84663301471378,"d":"48"},{"$nulls":26},{"v":22.53942672959595,"d":"23"},{"$nulls":27},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":36.80545123035412,"d":"37"},{"$nulls":8},"tBuXphos Pd G4, MTBD_DMSO-tAmOH",{"v":28.240635626014523,"d":"28"}]
[{"$nulls":7},{"v":43.7224787885297,"d":"44"},null,null,"scale",{"$nulls":23},{"v":49.556809024979856,"d":"50"},{"$nulls":27},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":36.56391174063814,"d":"37"},{"$nulls":8},"tBu3P Pd G3, MTBD_DMSO-tAmOH",{"v":50.123492775471426,"d":"50"}]
[{"$nulls":7},{"v":47.49221351090109,"d":"47"},null,null,100,100,{"$nulls":22},{"v":34.17750661908599,"d":"34"},{"$nulls":27},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":46.82425163597387,"d":"47"},{"$nulls":8},"XantPhos Pd G4, MTBD_DMSO-tAmOH",{"v":37.26835415372541,"d":"37"}]
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[{"$nulls":5},{"v":69.40849032801304,"d":"69"},null,null,"scale",{"$nulls":23},{"v":96.35495223730518,"d":"96"},{"$nulls":27},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":58.99735659670565,"d":"59"},{"$nulls":8},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":56.82330649514245,"d":"57"}]
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[{"$nulls":5},{"$f":"L6","v":{"v":60.36282536823404,"d":"60"}},null,null,40,{"$nulls":23},{"$f":"AL6","v":{"v":32.96882855706385,"d":"33"}},{"$nulls":27},"tBuXphos Pd G4, DBU_NMP",{"v":56.0529039856867,"d":"56"},{"$nulls":8},"tBuXphos Pd G4, DBU_NMP",{"$f":"CA5","v":{"v":46.918749530915825,"d":"47"}}]
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[{"$nulls":7},{"v":65.09050509429872,"d":"65"},null,"A",{"$f":"K5","v":8.990895295902883},{"$f":"L5","v":76.09202254498157},83.5844352915673,18.56167353132452,9.880749574105621,9.710391822827939,2.8960817717206133,4.429301533219761,11.78195333470989,63.11790212678092,58.542225893041504,10.29940119760479,29.42942942942943,14.700065919578115,19.92236138577602,40.12304987914744,15.174704013860815,100,49.71845220906728,17.47040138608143,31.482041969330105,34.91222760290557,17.5544794188862,28.65718321226796,{"v":63.453485186489765,"d":"63"},null,{"$f":"AK5","v":15.596258463465226},{"$f":"AL5","v":100},66.42010097452155,7.428280693514931,13.6,10.8,10,4.2,12.336640851887706,87.85696999031946,61.7376573088093,4.49540174249758,32.487672975982186,9.774137108318753,15.023063464291395,10.283123906473676,25.857215967246674,100,78.45445240532241,5.104912998976459,37.04203191728478,31.332883794111037,25.736120476511577,7.552258934592043,null,null,"PyBOP, 2,6-Lutidine_DMF",{"v":38.06345022326091,"d":"38"},{"$nulls":8},"PyBOP, 2,6-Lutidine_DMF",{"v":47.81279216161301,"d":"48"}]
[{"$nulls":7},{"v":10.597767179709516,"d":"11"},null,"B",{"$f":"K6","v":5.330045523520486},86.40797745501843,69.01690873618035,16.85183177975287,11.754684838160136,3.577512776831346,12.265758091993186,7.155025553662692,5.129052240346892,42.36217220730952,36.547594466239936,8.416270906462936,23.489343001538124,9.814692741522009,78.84713982274958,35.354867062184134,16.60410049090384,70.29309846953508,48.96043892578689,12.763499855616518,21.620258272800644,42.014729620661825,48.98103309120258,22.851089588377725,{"v":10.03091855504677,"d":"10"},null,{"$f":"AK6","v":5.886266682321631},86.67371140072795,62.451567453328636,4.821729090837932,16.8,13.4,13,1.6,6.5283155856727975,39.54501452081317,32.90174249757987,3.3276863504356244,15.969460792110704,9.368538253539048,62.51789406712263,6.449817082869413,19.511258955987717,78.97901740020471,61.75793244626407,6.691402251791198,15.194425713643515,34.68195100022477,44.774106540795685,7.919382632801379,null,null,"BOP-Cl, 2,6-Lutidine_DMF",{"v":4.172392483316404,"d":"4"},{"$nulls":8},"BOP-Cl, 2,6-Lutidine_DMF",{"v":5.32415851985567,"d":"5"}]
[{"$nulls":7},{"v":29.17027964448298,"d":"29"},null,"C",0.12464773466290917,64.45642748753522,0.08942120095382615,1.913071753739432,1.362862010221465,3.2367972742759794,0.5110732538330494,0.8517887563884157,4.1296716911005575E-3,7.136072682221763,0.028907701837703904,1.304976254387776,0.03662198784150004,7.448912326961107,0.22705632461730021,2.292536438877902,0.10106843777071903,6.995379728559053,0.3753970545769564,2.772162864568293,0.07062146892655367,5.52360774818402,0.12610976594027443,3.7530266343825667,{"v":34.79315878047826,"d":"35"},null,0.11741223435481977,90.63833118077571,0.22699698641931823,1.9451293491448476,2,10.4,1,2.6,0.1633591481122943,11.253630203291385,0.0484027105517909,1.591239109390126,0.2067758867504374,7.968824558613011,0.25449339907746144,2.027994273898521,0.1535312180143296,9.442169907881269,0.9211873080859775,4.0813715455475945,0.3221697759796209,9.762493444219675,0.22476961114857272,2.6972353337828725,null,null,"DPP-Cl, 2,6-Lutidine_DMF",{"v":22.92360883288691,"d":"23"},{"$nulls":8},"DPP-Cl, 2,6-Lutidine_DMF",{"v":27.749137526098867,"d":"28"}]
[{"$nulls":7},{"v":48.02731411229135,"d":"48"},null,"D",0.25471493605029266,61.22100585302406,86.31042705397789,28.01864296553219,1.362862010221465,16.524701873935264,7.4957410562180575,9.028960817717206,0.14040883749741895,100,89.85752632665704,51.30704109023333,0.16113674650260015,60.76320222661686,72.47491393832857,24.368270709734123,0.1876985272884782,65.10251227259602,44.93213976321109,25.93127346231591,0.12610976594027443,14.30589184826473,34.90718321226796,12.923728813559322,{"v":55.316817345700755,"d":"55"},null,0.2700481390160855,65.73519627411844,58.158193417087396,37.38405541857462,3.2,16.4,9.8,14.8,0.24806389157792835,90.11374636979671,89.59341723136495,59.09365924491772,0.29425799268331476,57.05423890567838,48.97407348496898,24.765388897725465,0.2047082906857728,61.74513817809621,62.103377686796314,44.946264073694984,0.4870008241552409,20.26672660522964,28.41087884917959,20.409080692290402,null,null,"HATU, DIPEA_DMF",{"v":37.09492700709117,"d":"37"},{"$nulls":8},"HATU, DIPEA_DMF",{"v":46.94876566507633,"d":"47"}]
[{"$nulls":7},{"v":58.10481248645133,"d":"58"},null,"E",20.203771948840235,27.842510296986777,96.60470409711684,33.516691957511384,24.190800681431003,10.391822827938672,9.710391822827939,12.43611584327087,11.001445385091886,76.17592401404089,42.75449101796407,32.70699979351642,43.33113601406284,15.849996337801215,22.793525232549623,86.63297443785248,15.181923187987294,87.04158244296852,56.73548946000577,28.09702570025989,35.295601291364,23.12853107344633,21.272195318805487,73.53712671509281,{"v":46.5578646628312,"d":"47"},null,15.083558373449181,27.470549097882667,76.38839967124575,41.9513913349771,30.4,22.4,18,23.6,11.51379477250726,91.65053242981607,63.67376573088093,36.271781219748306,44.401145220295845,12.080483537458248,28.471449021791,75.2982344520439,17.75844421699079,92.97594677584442,84.73643807574207,43.76919140225179,57.46609725031843,32.50168577208361,27.42938488049749,78.04000899078444,null,null,"PyBOP, DIPEA_DMF",{"v":35.99609800465658,"d":"36"},{"$nulls":8},"PyBOP, DIPEA_DMF",{"v":42.9059783233624,"d":"43"}]
[{"$nulls":7},{"v":18.870583134619554,"d":"19"},null,"F",8.885215694775635,44.1144591372209,52.311402557988295,17.057771515282898,53.66269165247019,23.509369676320272,35.09369676320273,22.487223168654175,6.908940739211233,26.834606648771423,31.93062151558951,6.74375387156721,20.28125686662272,17.153739104958618,88.25166630044679,39.99121072291804,8.547502165752238,95.35085186254692,52.96708056598325,17.102223505630956,8.439265536723164,24.48042776432607,38.756053268765136,26.39729620661824,{"v":16.355524245626395,"d":"16"},null,9.67868185198231,55.66514030762006,59.20316230284529,19.30257132793237,67,18.6,33.6,16.8,7.508470474346564,32.76863504356244,26.58518877057115,7.938044530493707,20.75711786225545,11.28519166534118,73.23047558453952,25.664068713217752,14.879733879222108,67.20829068577278,74.06601842374616,24.97441146366428,16.842736195399716,66.83899003521391,57.533528133663,20.064433955195923,null,null,"BOP-Cl, DIPEA_DMF",{"v":7.272395115452361,"d":"7"},{"$nulls":8},"BOP-Cl, DIPEA_DMF",{"v":9.367419065406702,"d":"9"}]
[{"$nulls":7},{"v":12.058313461955343,"d":"12"},null,"G",0.05690440060698027,22.471818773032734,5.647084326902233,1.3250596141339692,1.362862010221465,8.006814310051107,3.2367972742759794,0.34071550255536626,0.01651868676440223,1.9285566797439604,5.793929382614082,0.40470782572785463,0.03662198784150004,4.812129202373105,0.3222734930052003,1.6553138504358016,0.11550678602367889,4.605833092694196,11.781692174415246,1.0756569448455098,0.005044390637610976,5.7657384987893465,0.3732849071832123,1.261097659402744,{"v":12.813588509255998,"d":"13"},null,0.08218856404837384,38.45250675120347,9.013345857304998,2.082110289225471,0.8,5.4,7.4,3.2,0.030251694094869313,1.94215876089061,5.0278315585672795,0.883349467570184,0.2385875616351201,3.706060124065532,2.3222522665818355,1.296325751550819,0.21750255885363357,6.09007164790174,11.194984646878199,2.3541453428863868,0.04495392222971454,8.001798156889189,1.408556229864389,1.2287405409455308,null,null,"DPP-Cl, DIPEA_DMF",{"v":14.568742994706119,"d":"15"},{"$nulls":8},"DPP-Cl, DIPEA_DMF",{"v":18.160506993862118,"d":"18"}]
[{"$nulls":7},{"$f":"M5","v":{"v":83.5844352915673,"d":"84"}},null,"H",0.01354866681118578,67.00628658140039,59.63581183611532,22.48536743984392,0,45.65587734241908,12.606473594548552,19.420783645655877,0.024778030146603344,14.990708238695024,11.843898410076399,5.050588478215982,0.05859518054640006,23.364828242877024,14.824580678239215,6.269684318464806,0,57.89777649436905,57.51516026566561,28.739532197516603,0.01513317191283293,4.928369652945924,7.0974576271186445,2.9106133979015336,{"$f":"AM5","v":{"v":66.42010097452155,"d":"66"}},null,0.05087863488708857,54.36969198857187,65.48080309968299,26.35904661265704,2,45.6,12.8,31,0.0484027105517909,14.690222652468538,9.105759922555663,6.691674733785092,0.03181167488468268,18.64959440114522,10.784157785907428,6.171464927628439,0.1535312180143296,54.95138178096213,50.780450358239506,28.825486182190378,0.04495392222971454,5.978871656552034,6.038810219524987,5.739117404660223,null,null,"HATU, NMI_DMAc",{"$f":"BR4","v":{"v":38.70300599500981,"d":"39"}},{"$nulls":8},"HATU, NMI_DMAc",{"$f":"CB4","v":{"v":42.89523243824271,"d":"43"}}]
[{"$nulls":7},{"$f":"M6","v":{"v":69.01690873618035,"d":"69"}},null,"I",9.007153696076307,100,71.63451116410145,41.423693908519404,26.235093696763204,6.132879045996593,8.006814310051107,13.798977853492334,12.905224034689242,55.46975015486269,58.472021474292795,25.47594466239934,54.178568812715156,18.127883981542517,25.027466490881125,90.30982201713908,9.254981230147271,61.96939070170372,52.77938203869477,35.30176147848686,33.898305084745765,19.657990314769975,23.08817594834544,100,{"$f":"AM6","v":{"v":62.451567453328636,"d":"62"}},null,8.935071034401785,94.55207232593636,65.41818324136041,42.74196704629956,25.4,12.4,15.2,13.6,12.318489835430784,85.72725072604065,100,40.059293320425944,44.44886273262287,12.509941148401463,19.95387307141721,90.65532050262446,13.932958034800409,82.67656090071648,66.7093142272262,61.98822927328557,45.33603056866712,29.212557128942834,27.556754326815014,100,null,null,"PyBOP, NMI_DMAc",{"v":49.10314552235875,"d":"49"},{"$nulls":8},"PyBOP, NMI_DMAc",{"$f":"CB5","v":{"v":46.233873834181814,"d":"46"}}]
[{"$nulls":7},{"v":0.08942120095382615,"d":"0"},null,"J",5.874701929330154,65.09050509429872,60.88770864946889,19.068393670062864,100,36.626916524701876,55.02555366269165,54.003407155025556,4.608713607268222,23.138550485236422,19.343382201115013,10.043361552756556,26.067530945579726,11.11111111111111,100,64.62315974511097,8.922899220329194,76.82645105399942,56.13629800750794,25.534218885359515,15.345036319612591,15.587167070217918,75.26230831315577,28.71267150928168,{"v":0.22699698641931823,"d":"0"},null,4.966537513208876,63.453485186489765,53.86873312199131,19.020781965480804,100,42.8,43.8,37.4,6.51621490803485,33.91819941916747,30.880929332042594,11.289932236205228,22.379513281374265,9.463973278193096,81.30268808652775,43.733100047717514,10.555271238485158,61.98822927328557,64.1632548618219,28.723132036847492,17.404660223271147,75.25286581254214,58.9870382857571,33.715441672285905,null,null,"BOP-Cl, NMI_DMAc",{"v":0.22632755029318505,"d":"0"},{"$nulls":8},"BOP-Cl, NMI_DMAc",{"v":0.44597500254718675,"d":"0"}]
[{"$nulls":7},{"v":86.31042705397789,"d":"86"},null,"K",0.07316280078040321,10.597767179709516,11.44320398872751,5.492629525254715,0,2.0442930153321974,2.2146507666098807,1.0221465076660987,0.045426388602106134,1.354532314680983,10.629774932892834,6.268841627090646,0.07324397568300008,3.2959789057350033,3.7793891452428037,8.093459312971508,0.04331504475887958,4.483107132544037,10.280103956107421,5.963037828472423,0.020177562550443905,3.258676351896691,3.2738095238095237,8.05084745762712,{"v":58.158193417087396,"d":"58"},null,0.16437712809674768,10.03091855504677,15.537552346287816,9.698250557708112,2.8,0.8,4,4.8,0.006050338818973862,2.8739109390125845,17.16481122942885,7.272507260406583,0.6919039287418483,3.5788134245268015,5.201208843645618,7.356449817082869,0.16632548618219037,9.94114636642784,16.99078812691914,8.661719549641761,0.14235408706076272,4.720161834120027,4.098299243275642,7.836967108713568,null,null,"DPP-Cl, NMI_DMAc",{"v":55.996321891776766,"d":"56"},{"$nulls":8},"DPP-Cl, NMI_DMAc",{"v":49.50665677823287,"d":"50"}]
[{"$nulls":7},{"v":96.60470409711684,"d":"97"},null,"L",0.05690440060698027,29.17027964448298,33.261977021461085,13.356275742466941,0.8517887563884157,13.458262350936968,3.7478705281090288,34.07155025553663,0.008259343382201115,3.8323353293413174,5.252942391079909,1.1934751187280612,0.1025415659562001,34.908078810517836,46.09243389731195,{"$f":"Z16","v":11.272247857613712},0.2815477909327173,41.019347386658964,46.058330926941956,22.148426220040427,0.06053268765133172,15.153349475383374,19.925343018563357,10.189669087974172,{"v":76.38839967124575,"d":"76"},null,0.027396188016124614,34.79315878047826,38.13940745959062,11.392900473562678,3.2,16.4,9.4,48.6,0.0484027105517909,7.084946757018393,7.363262342691191,2.89811229428848,0.23063464291394942,22.06139653252744,28.964529982503578,{"$f":"AZ16","v":12.923492921902339},0.3710337768679631,62.7942681678608,52.30296827021495,29.375639713408393,0.09740016483104817,23.361054918708323,22.90402337603956,12.729452311380834,null,null,"HATU, NMM_DMAc",{"v":41.64513282487829,"d":"42"},{"$nulls":8},"HATU, NMM_DMAc",{"v":49.78323956335954,"d":"50"}]
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[{"$nulls":7},{"v":3.66818669527897,"d":"4"},null,null,"scale",{"$nulls":23},{"v":6.538630699310952,"d":"7"},{"$nulls":27},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":4.752666170988609,"d":"5"},{"$nulls":8},"tBuBrettPhos Pd G4, MTBD_DMAc",{"v":6.043783527775958,"d":"6"}]
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[{"$nulls":7},{"v":0.06035407725321888,"d":"0"},null,null,90,{"$nulls":23},{"v":0.5424424571177247,"d":"1"},{"$nulls":27},"cataCXium Pd G4, P2ET_DMAc",{"v":0.22312413539412299,"d":"0"},{"$nulls":8},"cataCXium Pd G4, P2ET_DMAc",{"v":1.594999012709074,"d":"2"}]
[{"$nulls":7},{"v":45.9831008583691,"d":"46"},null,null,80,{"$nulls":23},{"v":66.04603430582026,"d":"66"},{"$nulls":27},"tBuXphos Pd G4, P2ET_DMAc",{"v":46.356650903651406,"d":"46"},{"$nulls":8},"tBuXphos Pd G4, P2ET_DMAc",{"v":59.95654853294071,"d":"60"}]
[{"$nulls":7},{"v":2.8433476394849784,"d":"3"},null,null,70,{"$nulls":23},{"v":8.371206567951914,"d":"8"},{"$nulls":27},"tBuBrettPhos Pd G4, P2ET_DMAc",{"v":2.597465407834411,"d":"3"},{"$nulls":8},"tBuBrettPhos Pd G4, P2ET_DMAc",{"v":7.359518848707135,"d":"7"}]
[{"$nulls":7},{"v":14.109442060085836,"d":"14"},null,null,60,{"$nulls":23},{"v":25.17226213165225,"d":"25"},{"$nulls":27},"XantPhos Pd G4, P2ET_DMAc",{"v":29.752300838907995,"d":"30"},{"$nulls":8},"XantPhos Pd G4, P2ET_DMAc",{"v":38.40100253575008,"d":"38"}]
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[{"$nulls":7},{"$f":"N6","v":{"v":13.365075107296137,"d":"13"}},null,null,40,{"$nulls":23},{"$f":"AN6","v":{"v":16.4638616038704,"d":"16"}},{"$nulls":27},"tBuXphos Pd G4, DBU_NMP",{"v":24.783762143994608,"d":"25"},{"$nulls":8},"tBuXphos Pd G4, DBU_NMP",{"$f":"CC5","v":{"v":25.130678303194525,"d":"25"}}]
[{"$nulls":7},{"v":2.595225321888412,"d":"3"},null,null,30,{"$nulls":23},{"v":6.80252162439525,"d":"7"},{"$nulls":27},"tBuBrettPhos Pd G4, DBU_NMP",{"v":4.445447240703738,"d":"4"},{"$nulls":8},"tBuBrettPhos Pd G4, DBU_NMP",{"v":7.201122385367689,"d":"7"}]
[{"$nulls":7},{"v":0.24141630901287553,"d":"0"},null,null,20,{"$nulls":23},{"v":0.4838000293212139,"d":"0"},{"$nulls":27},"XantPhos Pd G4, DBU_NMP",{"v":0.283859056019582,"d":"0"},{"$nulls":8},"XantPhos Pd G4, DBU_NMP",{"v":0.3609024501975646,"d":"0"}]
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{"sheet":"51","index":51,"n_rows":116,"n_cols":35,"rows_kept":116,"merged":[[1,0,2,6],[1,8,2,13],[1,19,2,25],[1,27,2,32]]}
["Data associated with Extended Data Fig 10a"]
["TIDA 1 C-N coupling original data (Starting material)",{"$nulls":7},"Starting material",{"$nulls":10},"TIDA 1 C-N coupling original data (products)",{"$nulls":7},"products"]
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["Data associated with Extended Data Fig 10b"]
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["Data associated with Extended Data Fig 10c"]
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{"sheet":"54","index":54,"n_rows":116,"n_cols":43,"rows_kept":116,"merged":[[1,0,2,6],[1,8,2,13],[1,19,2,25],[1,27,2,32]]}
["Data associated with Extended Data Fig 10d"]
["Clarithromycin derivative 5 C-C coupling original data (Starting material)",{"$nulls":7},"Starting material",{"$nulls":10},"Clarithromycin derivative 5 C-C coupling original data (products)",{"$nulls":7},"products"]
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["Data associated with Extended Data Fig 10h",{"$nulls":5},"TIDA 1 C-N coupling: 384 Data points",{"$nulls":55},"TIDA 1 C-N coupling:  64 conditions"]
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{"sheet":"59","index":59,"n_rows":77,"n_cols":10,"rows_kept":77}
["QC and HRMS data for all synthesized compounds"]
["ID","Exact mass","Formula","Purity_UVTIC","Purity_ELSD","Avg Purity","Purity_Method","Expect Mass","Observed Mass","Error (PPM)"]
[1,325.1001,"C13H17BClN3O4",100,100,100,"UV&ELSD",326.1079,326.1074,{"$f":"(I3-H3)/H3*1000000","v":{"v":-1.5332348587328812,"d":"-1.53"}}]
[2,318.1387,"C15H19BN2O5","na",100,100,"ELSD",{"v":319.14649999999995,"d":"319.1465"},319.1467,{"$f":"(I4-H4)/H4*1000000","v":{"v":0.6266714504576512,"d":"0.63"}}]
["S109",334.1336,"C15H19BN2O6",100,100,{"$f":"AVERAGE(D5:E5)","v":100},"UV&ELSD",335.1414,335.1429,{"v":4.475722784536239,"d":"4.48"}]
[3,304.1594,"C15H21BN2O4","na",100,{"$f":"AVERAGE(D6:E6)","v":100},"ELSD",305.1672,305.1672,{"v":0,"d":"0.00"}]
[4,{"v":346.17,"d":"346.1700"},"C17H23BN2O5","na",100,100,"UV&ELSD",347.1778,347.1783,{"v":1.440184251378333,"d":"1.44"}]
[5,954.4453,"C47H75BrN2O13","na",85,85,"ELSD",955.4531,955.4514,{"v":-1.779260541322568,"d":"-1.78"}]
[7,257.0051,"C10H15BrN2O2",97.47,100,{"v":98.735,"d":"99"},"UV&ELSD",258.0129,{"v":258.012,"d":"258.0120"},{"v":-3.488197683144739,"d":"-3.49"}]
[14,342.0954,"C14H17BClFN2O4",100,100,100,"UV&ELSD",{"v":343.10319999999996,"d":"343.1032"},343.1036,{"v":1.1658299893830155,"d":"1.17"}]
[15,348.1048,"C16H18BClN2O4",100,100,100,"UV&ELSD",349.1126,349.1127,{"v":0.2864405353222466,"d":"0.29"}]
[16,354.1154,"C15H20BClN2O5",100,100,100,"UV&ELSD",355.1232,355.1244,{"v":3.3791089964919006,"d":"3.38"}]
[17,363.1045,"C17H19BClNO5",100,100,100,"UV&ELSD",{"v":364.11229999999995,"d":"364.1123"},364.1133,{"v":2.7464054359965226,"d":"2.75"}]
[18,368.0946,"C15H18BClN2O6",100,100,100,"UV&ELSD",369.1024,369.1027,{"v":0.8127825775133964,"d":"0.81"}]
[19,374.1205,"C18H20BClN2O4",46.6,{"v":86.3,"d":"86"},66.45,"UV&ELSD",{"v":375.12829999999997,"d":"375.1283"},{"v":375.128,"d":"375.1280"},{"v":-0.7997263868962626,"d":"-0.80"}]
[20,{"v":391.097,"d":"391.0970"},"C16H18BClF3NO4",100,100,100,"UV&ELSD",{"v":392.10479999999995,"d":"392.1048"},392.1054,{"v":1.5302031498209612,"d":"1.53"}]
["S6",384.1717," C17H21BN6O4",98.26,100,{"v":99.13,"d":"99.1"},"UV&ELSD",385.1795,385.1804,{"v":2.3365729486078535,"d":"2.34"}]
["S7",403.1486," C17H22BN5O4S",89.73,100,{"v":94.86500000000001,"d":"94.9"},"UV&ELSD",{"v":404.15639999999996,"d":"404.1564"},404.1582,{"v":4.45372138127654,"d":"4.45"}]
["S8",440.1867," C21H25BN4O6",100,100,{"v":100,"d":"100.0"},"UV&ELSD",{"v":441.19449999999995,"d":"441.1945"},441.1958,{"v":2.946546251305439,"d":"2.95"}]
["S9",447.2078,"C23H26BN5O4",93.85,100,{"v":96.925,"d":"96.9"},"UV&ELSD",448.2156,448.2165,{"v":2.0079622396040104,"d":"2.01"}]
["S10",454.2024," C22H27BN4O6",100,100,{"v":100,"d":"100.0"},"UV&ELSD",455.2102,455.2122,{"v":4.393574660694224,"d":"4.39"}]
["S11",495.1537,"C20H21BF3N5O6",100,96.56,{"$f":"AVERAGE(D22:E22)","v":{"v":98.28,"d":"98"}},"UV&ELSD",496.1615,496.1622,{"v":1.4108309491865367,"d":"1.41"}]
["S12",488.2231," C26H29BN4O5",94.94,100,{"v":97.47,"d":"97.5"},"UV&ELSD",{"v":489.23089999999996,"d":"489.2309"},{"v":489.232,"d":"489.2320"},{"v":2.2484270720940525,"d":"2.25"}]
["S13",532.2258,"C24H34BN4O7P",97.71,100,{"v":98.85499999999999,"d":"98.9"},"UV&ELSD",533.2336,533.2355,{"v":3.5631663120587453,"d":"3.56"}]
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["Information for selected 96 amines 21-116 and target 768 products "]
[]
[]
[null,"Selected 96  Amines",{"$nulls":3},"TIDA 1",{"$nulls":6},"TIDA 14",{"$nulls":6},"TIDA 15",{"$nulls":6},"TIDA 16",{"$nulls":6},"TIDA 17",{"$nulls":6},"TIDA 18",{"$nulls":6},"TIDA 19",{"$nulls":6},"TIDA 20"]
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[22,"p-Toluidine","Cc1ccc(N)cc1","Cluster 091",107.0735,"1_22","CC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":396.1968856799999,"d":"396.1969"},{"$f":"H7+1.0076","v":{"v":397.20448567999995,"d":"397.2045"}},0.7,25,12.5,"14_22","CC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":413.19221489999995,"d":"413.1922"},{"$f":"O7+1.0076","v":{"v":414.1998149,"d":"414.1998"}},0.85,25,12.5,"15_22","CC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":419.2016367119999,"d":"419.2016"},{"$f":"V7+1.0076","v":{"v":420.20923671199995,"d":"420.2092"}},0.91,250,12.5,"16_22","COC1=NC(NC2=CC=C(C)C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":425.21220139599995,"d":"425.2122"},{"$f":"AC7+1.0076","v":{"v":426.219801396,"d":"426.2198"}},0.91,25,12.5,"17_22","CC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":434.201302364,"d":"434.2013"},106.0735,null,null,12.5,"18_22","CC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":439.191465952,"d":"439.1915"},{"$f":"AQ7+1.0076","v":{"v":440.199065952,"d":"440.1991"}},null,null,12.5,"19_22","CC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":445.2172867759999,"d":"445.2173"},{"$f":"AX7+1.0076","v":{"v":446.22488677599995,"d":"446.2249"}},null,null,6.25,"20_22","CC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":462.19377237199996,"d":"462.1938"},{"$f":"BE7+1.0076","v":{"v":463.201372372,"d":"463.2014"}},1.09,null,12.5]
[23,"5-Amino-2-methylpyridine","Cc1ccc(N)cn1","Cluster 043",108.0687,"1_23","CC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":397.1921346479999,"d":"397.1921"},{"v":398.19973464799995,"d":"398.1997"},0.34,25,12.5,"14_23","CC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":414.18746386799995,"d":"414.1875"},{"v":415.195063868,"d":"415.1951"},0.36,25,12.5,"15_23","CC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":420.19688568,"d":"420.1969"},{"v":421.20448568,"d":"421.2045"},0.37,250,12.5,"16_23","COC1=NC(NC2=CC=C(C)N=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":426.20745036399995,"d":"426.2075"},{"v":427.215050364,"d":"427.2151"},0.37,25,12.5,"17_23","CC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":435.196551332,"d":"435.1966"},107.0687,null,null,12.5,"18_23","CC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":440.18671492000004,"d":"440.1867"},{"v":441.19431492000007,"d":"441.1943"},null,null,12.5,"19_23","CC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":446.212535744,"d":"446.2125"},{"v":447.220135744,"d":"447.2201"},null,null,6.25,"20_23","CC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=N1",{"v":463.18902134,"d":"463.1890"},{"v":464.19662134000004,"d":"464.1966"},0.46,null,12.5]
[24,"2-Amino-4-picoline","Cc1ccnc(N)c1","Cluster 061",108.0687,"1_24","CC1=CC=NC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":397.1921346479999,"d":"397.1921"},{"v":398.19973464799995,"d":"398.1997"},0.36,25,12.5,"14_24","CC1=CC=NC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":414.18746386799995,"d":"414.1875"},{"v":415.195063868,"d":"415.1951"},0.38,25,12.5,"15_24","CC1=CC=NC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":420.19688568,"d":"420.1969"},{"v":421.20448568,"d":"421.2045"},0.43,250,12.5,"16_24","COC1=NC(NC2=CC(C)=CC=N2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":426.20745036399995,"d":"426.2075"},{"v":427.215050364,"d":"427.2151"},0.38,25,12.5,"17_24","CC1=CC=NC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":435.19655133199996,"d":"435.1966"},107.0687,null,null,12.5,"18_24","CC1=CC=NC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":440.18671492,"d":"440.1867"},{"v":441.19431492,"d":"441.1943"},null,null,12.5,"19_24","CC1=CC=NC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":446.212535744,"d":"446.2125"},{"v":447.220135744,"d":"447.2201"},null,null,6.25,"20_24","CC1=CC=NC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":463.18902133999995,"d":"463.1890"},{"v":464.19662134,"d":"464.1966"},0.49,null,12.5]
[25,"4-Amino-2-methylpyridine","Cc1cc(N)ccn1","Cluster 142",108.0687,"1_25","CC1=CC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":397.1921346479999,"d":"397.1921"},{"v":398.19973464799995,"d":"398.1997"},0.34,25,12.5,"14_25","CC1=CC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":414.18746386799995,"d":"414.1875"},{"v":415.195063868,"d":"415.1951"},0.36,25,12.5,"15_25","CC1=CC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":420.19688568,"d":"420.1969"},{"v":421.20448568,"d":"421.2045"},0.37,250,12.5,"16_25","COC1=NC(NC2=CC=NC(C)=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":426.20745036399995,"d":"426.2075"},{"v":427.215050364,"d":"427.2151"},0.37,25,12.5,"17_25","CC1=CC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":435.196551332,"d":"435.1966"},107.0687,null,null,12.5,"18_25","CC1=CC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":440.18671492000004,"d":"440.1867"},{"v":441.19431492000007,"d":"441.1943"},null,null,12.5,"19_25","CC1=CC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":446.212535744,"d":"446.2125"},{"v":447.220135744,"d":"447.2201"},null,null,6.25,"20_25","CC1=CC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=N1",{"v":463.18902134,"d":"463.1890"},{"v":464.19662134000004,"d":"464.1966"},0.44,null,12.5]
[26,"3-Aminoisoxazole-4-carbonitrile","Nc1nocc1C#N","Cluster 223",109.0276,"1_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NOC=C2C#N)N=C1",{"v":398.15099810800007,"d":"398.1510"},{"v":399.1585981080001,"d":"399.1586"},0.37,25,12.5,"14_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NOC=C2C#N)N=C1F",{"v":415.1463273280001,"d":"415.1463"},{"v":416.1539273280001,"d":"416.1539"},0.43,25,12.5,"15_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=NOC=C2C#N)=C1)C#N",{"v":421.15574914000007,"d":"421.1557"},{"v":422.1633491400001,"d":"422.1633"},0.46,250,12.5,"16_26","COC1=NC(NC2=NOC=C2C#N)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":427.16631382399993,"d":"427.1663"},{"v":428.17391382399995,"d":"428.1739"},0.44,25,12.5,"17_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=NOC=C3C#N)=CC=C2O1",{"v":436.15541479200004,"d":"436.1554"},108.0276,null,null,12.5,"18_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NOC=C2C#N)C(=C1)[N+]([O-])=O",{"v":441.14557838,"d":"441.1456"},{"v":442.15317838000004,"d":"442.1532"},null,null,12.5,"19_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NOC=C2C#N)C2=CC=CC=C12",{"v":447.171399204,"d":"447.1714"},{"v":448.17899920400004,"d":"448.1790"},null,null,6.25,"20_26","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NOC=C2C#N)C(=C1)C(F)(F)F",{"v":464.14788480000004,"d":"464.1479"},{"v":465.15548480000007,"d":"465.1555"},0.74,null,12.5]
[27,"3-Amino-5-fluoropyridine","Nc1cncc(F)c1","Cluster 176",112.0437,"1_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(F)=CN=C2)N=C1",{"v":401.16706277200007,"d":"401.1671"},{"v":402.1746627720001,"d":"402.1747"},0.5,25,12.5,"14_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CN=CC(F)=C2)N=C1F",{"v":418.1623919920001,"d":"418.1624"},{"v":419.1699919920001,"d":"419.1700"},0.57,25,12.5,"15_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(F)=CN=C2)=C1)C#N",{"v":424.17181380400007,"d":"424.1718"},{"v":425.1794138040001,"d":"425.1794"},0.59,250,12.5,"16_27","COC1=NC(NC2=CC(F)=CN=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":430.1823784879999,"d":"430.1824"},{"v":431.18997848799995,"d":"431.1900"},0.58,25,12.5,"17_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(F)=CN=C3)=CC=C2O1",{"v":439.17147945600004,"d":"439.1715"},111.0437,null,null,12.5,"18_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(F)=CN=C2)C(=C1)[N+]([O-])=O",{"v":444.161643044,"d":"444.1616"},{"v":445.16924304400004,"d":"445.1692"},null,null,12.5,"19_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(F)=CN=C2)C2=CC=CC=C12",{"v":450.187463868,"d":"450.1875"},{"v":451.19506386800003,"d":"451.1951"},null,null,6.25,"20_27","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CN=CC(F)=C2)C(=C1)C(F)(F)F",{"v":467.16394946400004,"d":"467.1639"},{"v":468.17154946400007,"d":"468.1715"},0.72,null,12.5]
[28,"3,4-Dimethylisoxazol-5-amine","Cc1noc(N)c1C","Cluster 089",112.0637,"1_28","CC1=NOC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":401.18704926799995,"d":"401.1870"},{"v":402.194649268,"d":"402.1946"},0.47,25,12.5,"14_28","CC1=NOC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":418.1823784879999,"d":"418.1824"},{"v":419.18997848799995,"d":"419.1900"},0.58,25,12.5,"15_28","CC1=NOC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":424.19180029999995,"d":"424.1918"},{"v":425.1994003,"d":"425.1994"},0.65,250,12.5,"16_28","COC1=NC(NC2=C(C)C(C)=NO2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":430.202364984,"d":"430.2024"},{"v":431.209964984,"d":"431.2100"},0.63,25,12.5,"17_28","CC1=NOC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":439.191465952,"d":"439.1915"},111.0637,null,null,12.5,"18_28","CC1=NOC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":444.18162954,"d":"444.1816"},{"v":445.18922954000004,"d":"445.1892"},null,null,12.5,"19_28","CC1=NOC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":450.20745036399995,"d":"450.2075"},{"v":451.215050364,"d":"451.2151"},null,null,6.25,"20_28","CC1=NOC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C",{"v":467.1839359599999,"d":"467.1839"},{"v":468.19153595999995,"d":"468.1915"},0.8,null,12.5]
[29,"2-Ethynylaniline","Nc1ccccc1C#C","Cluster 132",117.0578,"1_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2C#C)N=C1",{"v":406.18123561600004,"d":"406.1812"},{"v":407.18883561600006,"d":"407.1888"},0.6,25,12.5,"14_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C#C)N=C1F",{"v":423.17656483600007,"d":"423.1766"},{"v":424.1841648360001,"d":"424.1842"},0.77,25,12.5,"15_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC=C2C#C)=C1)C#N",{"v":429.18598664800004,"d":"429.1860"},{"v":430.19358664800006,"d":"430.1936"},0.87,250,12.5,"16_29","COC1=NC(NC2=CC=CC=C2C#C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":435.19655133199996,"d":"435.1966"},{"v":436.204151332,"d":"436.2042"},0.82,25,12.5,"17_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC=C3C#C)=CC=C2O1",{"v":444.1856523,"d":"444.1857"},116.0578,null,null,12.5,"18_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C#C)C(=C1)[N+]([O-])=O",{"v":449.175815888,"d":"449.1758"},{"v":450.183415888,"d":"450.1834"},null,null,12.5,"19_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2C#C)C2=CC=CC=C12",{"v":455.201636712,"d":"455.2016"},{"v":456.209236712,"d":"456.2092"},null,null,6.25,"20_29","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C#C)C(=C1)C(F)(F)F",{"v":472.178122308,"d":"472.1781"},{"v":473.18572230800004,"d":"473.1857"},1.01,null,12.5]
[30,"4-Aminobenzonitrile","Nc1ccc(cc1)C#N","Cluster 088",118.0531,"1_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C#N)N=C1",{"v":407.17648458400004,"d":"407.1765"},{"v":408.18408458400006,"d":"408.1841"},0.61,25,12.5,"14_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C#N)N=C1F",{"v":424.17181380400007,"d":"424.1718"},{"v":425.1794138040001,"d":"425.1794"},0.7,25,12.5,"15_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)C#N)=C1)C#N",{"v":430.1812356160001,"d":"430.1812"},{"v":431.1888356160001,"d":"431.1888"},0.72,250,12.5,"16_30","COC1=NC(NC2=CC=C(C=C2)C#N)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":436.19180029999995,"d":"436.1918"},{"v":437.1994003,"d":"437.1994"},0.73,25,12.5,"17_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)C#N)=CC=C2O1",{"v":445.180901268,"d":"445.1809"},117.0531,null,null,12.5,"18_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C#N)C(=C1)[N+]([O-])=O",{"v":450.17106485600004,"d":"450.1711"},{"v":451.17866485600007,"d":"451.1787"},null,null,12.5,"19_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C#N)C2=CC=CC=C12",{"v":456.19688568000004,"d":"456.1969"},{"v":457.20448568000006,"d":"457.2045"},null,null,6.25,"20_30","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C#N)C(=C1)C(F)(F)F",{"v":473.17337127600007,"d":"473.1734"},{"v":474.1809712760001,"d":"474.1810"},0.86,null,12.5]
[31,"4-Ethylaniline","CCc1ccc(N)cc1","Cluster 008",121.0891,"1_31","CCC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":410.212535744,"d":"410.2125"},{"v":411.220135744,"d":"411.2201"},0.81,25,12.5,"14_31","CCC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":427.20786496399995,"d":"427.2079"},{"v":428.215464964,"d":"428.2155"},0.94,25,12.5,"15_31","CCC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":433.2172867759999,"d":"433.2173"},{"v":434.22488677599995,"d":"434.2249"},0.98,250,12.5,"16_31","CCC1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":439.22785145999995,"d":"439.2279"},{"v":440.23545146,"d":"440.2355"},1,25,12.5,"17_31","CCC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":448.216952428,"d":"448.2170"},120.0891,null,null,12.5,"18_31","CCC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":453.20711601599993,"d":"453.2071"},{"v":454.21471601599995,"d":"454.2147"},null,null,12.5,"19_31","CCC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":459.2329368399999,"d":"459.2329"},{"v":460.24053683999995,"d":"460.2405"},null,null,6.25,"20_31","CCC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":476.2094224359999,"d":"476.2094"},{"v":477.2170224359999,"d":"477.2170"},1.16,null,12.5]
[32,"2,3-Dimethylaniline","Cc1cccc(N)c1C","Cluster 015",121.0891,"1_32","CC1=C(C)C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":410.2125357439999,"d":"410.2125"},{"v":411.22013574399995,"d":"411.2201"},0.65,25,12.5,"14_32","CC1=C(C)C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":427.20786496399995,"d":"427.2079"},{"v":428.215464964,"d":"428.2155"},0.87,25,12.5,"15_32","CC1=C(C)C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":433.2172867759999,"d":"433.2173"},{"v":434.22488677599995,"d":"434.2249"},0.95,250,12.5,"16_32","COC1=NC(NC2=CC=CC(C)=C2C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":439.22785145999995,"d":"439.2279"},{"v":440.23545146,"d":"440.2355"},0.95,25,12.5,"17_32","CC1=C(C)C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":448.216952428,"d":"448.2170"},120.0891,null,null,12.5,"18_32","CC1=C(C)C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":453.207116016,"d":"453.2071"},{"v":454.214716016,"d":"454.2147"},null,null,12.5,"19_32","CC1=C(C)C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":459.2329368399999,"d":"459.2329"},{"v":460.24053683999995,"d":"460.2405"},null,null,6.25,"20_32","CC1=C(C)C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":476.20942243599995,"d":"476.2094"},{"v":477.217022436,"d":"477.2170"},1.14,null,12.5]
[33,"2-Ethylaniline","CCc1ccccc1N","Cluster 026",121.0891,"1_33","CCC1=CC=CC=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":410.212535744,"d":"410.2125"},{"v":411.220135744,"d":"411.2201"},0.68,25,12.5,"14_33","CCC1=CC=CC=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":427.20786496399995,"d":"427.2079"},{"v":428.215464964,"d":"428.2155"},0.88,25,12.5,"15_33","CCC1=CC=CC=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":433.2172867759999,"d":"433.2173"},{"v":434.22488677599995,"d":"434.2249"},0.95,250,12.5,"16_33","CCC1=CC=CC=C1NC1=CC=C(C(OC)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":439.22785145999995,"d":"439.2279"},{"v":440.23545146,"d":"440.2355"},0.97,25,12.5,"17_33","CCC1=CC=CC=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":448.21695242799996,"d":"448.2170"},120.0891,null,null,12.5,"18_33","CCC1=CC=CC=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":453.20711601599993,"d":"453.2071"},{"v":454.21471601599995,"d":"454.2147"},null,null,12.5,"19_33","CCC1=CC=CC=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":459.2329368399999,"d":"459.2329"},{"v":460.24053683999995,"d":"460.2405"},null,null,6.25,"20_33","CCC1=CC=CC=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":476.2094224359999,"d":"476.2094"},{"v":477.2170224359999,"d":"477.2170"},1.15,null,12.5]
[34,"3,4-Dimethylaniline","Cc1ccc(N)cc1C","Cluster 064",121.0891,"1_34","CC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":410.2125357439999,"d":"410.2125"},{"v":411.22013574399995,"d":"411.2201"},0.78,25,12.5,"14_34","CC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":427.20786496399995,"d":"427.2079"},{"v":428.215464964,"d":"428.2155"},0.91,25,12.5,"15_34","CC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":433.2172867759999,"d":"433.2173"},{"v":434.22488677599995,"d":"434.2249"},0.95,250,12.5,"16_34","COC1=NC(NC2=CC=C(C)C(C)=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":439.22785145999995,"d":"439.2279"},{"v":440.23545146,"d":"440.2355"},0.97,25,12.5,"17_34","CC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":448.216952428,"d":"448.2170"},120.0891,null,null,12.5,"18_34","CC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":453.207116016,"d":"453.2071"},{"v":454.214716016,"d":"454.2147"},null,null,12.5,"19_34","CC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":459.2329368399999,"d":"459.2329"},{"v":460.24053683999995,"d":"460.2405"},null,null,6.25,"20_34","CC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1C",{"v":476.20942243599995,"d":"476.2094"},{"v":477.217022436,"d":"477.2170"},1.15,null,12.5]
[35,"o-Anisidine","COc1ccccc1N","Cluster 019",123.0684,"1_35","COC1=CC=CC=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":412.19180029999995,"d":"412.1918"},{"v":413.1994003,"d":"413.1994"},0.68,25,12.5,"14_35","COC1=CC=CC=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":429.18712952,"d":"429.1871"},{"v":430.19472952,"d":"430.1947"},0.8,25,12.5,"15_35","COC1=CC=CC=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":435.19655133199996,"d":"435.1966"},{"v":436.204151332,"d":"436.2042"},0.83,250,12.5,"16_35","COC1=CC=CC=C1NC1=CC=C(C(OC)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":441.20711601599993,"d":"441.2071"},{"v":442.21471601599995,"d":"442.2147"},0.87,25,12.5,"17_35","COC1=CC=CC=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":450.196216984,"d":"450.1962"},122.0684,null,null,12.5,"18_35","COC1=CC=CC=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":455.1863805719999,"d":"455.1864"},{"v":456.19398057199993,"d":"456.1940"},null,null,12.5,"19_35","COC1=CC=CC=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":461.2122013959999,"d":"461.2122"},{"v":462.2198013959999,"d":"462.2198"},null,null,6.25,"20_35","COC1=CC=CC=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":478.18868699199993,"d":"478.1887"},{"v":479.19628699199995,"d":"479.1963"},1.04,null,12.5]
[36,"p-Anisidine","COc1ccc(N)cc1","Cluster 020",123.0684,"1_36","COC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":412.19180029999995,"d":"412.1918"},{"v":413.1994003,"d":"413.1994"},0.58,25,12.5,"14_36","COC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":429.18712952,"d":"429.1871"},{"v":430.19472952,"d":"430.1947"},0.72,25,12.5,"15_36","COC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":435.19655133199996,"d":"435.1966"},{"v":436.204151332,"d":"436.2042"},0.79,250,12.5,"16_36","COC1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":441.207116016,"d":"441.2071"},{"v":442.214716016,"d":"442.2147"},0.78,25,12.5,"17_36","COC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":450.196216984,"d":"450.1962"},122.0684,null,null,12.5,"18_36","COC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":455.18638057199996,"d":"455.1864"},{"v":456.193980572,"d":"456.1940"},null,null,12.5,"19_36","COC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":461.21220139599995,"d":"461.2122"},{"v":462.219801396,"d":"462.2198"},null,null,6.25,"20_36","COC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":478.18868699199993,"d":"478.1887"},{"v":479.19628699199995,"d":"479.1963"},0.96,null,12.5]
[37,"5-Fluoro-2-methylaniline","Cc1ccc(F)cc1N","Cluster 035",125.0641,"1_37","CC1=CC=C(F)C=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":414.18746386799995,"d":"414.1875"},{"v":415.195063868,"d":"415.1951"},0.71,25,12.5,"14_37","CC1=CC=C(F)C=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":431.1827930879999,"d":"431.1828"},{"v":432.19039308799995,"d":"432.1904"},0.84,25,12.5,"15_37","CC1=CC=C(F)C=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":437.19221489999995,"d":"437.1922"},{"v":438.1998149,"d":"438.1998"},0.91,250,12.5,"16_37","COC1=NC(NC2=CC(F)=CC=C2C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":443.2027795839999,"d":"443.2028"},{"v":444.21037958399995,"d":"444.2104"},0.93,25,12.5,"17_37","CC1=CC=C(F)C=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":452.19188055199993,"d":"452.1919"},124.0641,null,null,12.5,"18_37","CC1=CC=C(F)C=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":457.18204413999996,"d":"457.1820"},{"v":458.18964414,"d":"458.1896"},null,null,12.5,"19_37","CC1=CC=C(F)C=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":463.20786496399995,"d":"463.2079"},{"v":464.215464964,"d":"464.2155"},null,null,6.25,"20_37","CC1=CC=C(F)C=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":480.1843505599999,"d":"480.1844"},{"v":481.19195055999995,"d":"481.1920"},1.09,null,12.5]
[38,"2-Fluoro-5-methylaniline","Cc1ccc(F)c(N)c1","Cluster 036",125.0641,"1_38","CC1=CC=C(F)C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":414.18746386799995,"d":"414.1875"},{"v":415.195063868,"d":"415.1951"},0.72,25,12.5,"14_38","CC1=CC=C(F)C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":431.1827930879999,"d":"431.1828"},{"v":432.19039308799995,"d":"432.1904"},0.85,25,12.5,"15_38","CC1=CC=C(F)C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":437.19221489999995,"d":"437.1922"},{"v":438.1998149,"d":"438.1998"},0.89,250,12.5,"16_38","COC1=NC(NC2=CC(C)=CC=C2F)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":443.2027795839999,"d":"443.2028"},{"v":444.21037958399995,"d":"444.2104"},0.94,25,12.5,"17_38","CC1=CC=C(F)C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":452.19188055199993,"d":"452.1919"},124.0641,null,null,12.5,"18_38","CC1=CC=C(F)C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":457.18204413999996,"d":"457.1820"},{"v":458.18964414,"d":"458.1896"},null,null,12.5,"19_38","CC1=CC=C(F)C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":463.20786496399995,"d":"463.2079"},{"v":464.215464964,"d":"464.2155"},null,null,6.25,"20_38","CC1=CC=C(F)C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":480.1843505599999,"d":"480.1844"},{"v":481.19195055999995,"d":"481.1920"},1.09,null,12.5]
[39,"2-Ethyl-5-methyl-2H-pyrazol-3-ylamine","CCn1nc(C)cc1N","Cluster 016",125.0953,"1_39","CCN1N=C(C)C=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":414.218683744,"d":"414.2187"},{"v":415.226283744,"d":"415.2263"},0.44,25,12.5,"14_39","CCN1N=C(C)C=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":431.21401296399995,"d":"431.2140"},{"v":432.221612964,"d":"432.2216"},0.52,25,12.5,"15_39","CCN1N=C(C)C=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":437.2234347759999,"d":"437.2234"},{"v":438.23103477599994,"d":"438.2310"},0.58,250,12.5,"16_39","CCN1N=C(C)C=C1NC1=CC=C(C(OC)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":443.23399945999995,"d":"443.2340"},{"v":444.24159946,"d":"444.2416"},0.52,25,12.5,"17_39","CCN1N=C(C)C=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":452.22310042799995,"d":"452.2231"},124.0953,null,null,12.5,"18_39","CCN1N=C(C)C=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":457.2132640159999,"d":"457.2133"},{"v":458.22086401599995,"d":"458.2209"},null,null,12.5,"19_39","CCN1N=C(C)C=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":463.2390848399999,"d":"463.2391"},{"v":464.24668483999994,"d":"464.2467"},null,null,6.25,"20_39","CCN1N=C(C)C=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":480.2155704359999,"d":"480.2156"},{"v":481.2231704359999,"d":"481.2232"},0.75,null,12.5]
[40,"5-Isopropyl-1,3,4-oxadiazol-2-amine","CC(C)c1nnc(N)o1","Cluster 138",127.0746,"1_40","CC(C)C1=NN=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":416.19794829999995,"d":"416.1979"},{"v":417.2055483,"d":"417.2055"},0.43,25,12.5,"14_40","CC(C)C1=NN=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":433.19327752,"d":"433.1933"},{"v":434.20087752,"d":"434.2009"},0.56,25,12.5,"15_40","CC(C)C1=NN=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":439.20269933199995,"d":"439.2027"},{"v":440.210299332,"d":"440.2103"},0.62,250,12.5,"16_40","COC1=NC(NC2=NN=C(O2)C(C)C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":445.2132640159999,"d":"445.2133"},{"v":446.22086401599995,"d":"446.2209"},0.45,25,12.5,"17_40","CC(C)C1=NN=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":454.2023649839999,"d":"454.2024"},126.0746,null,null,12.5,"18_40","CC(C)C1=NN=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":459.1925285719999,"d":"459.1925"},{"v":460.2001285719999,"d":"460.2001"},null,null,12.5,"19_40","CC(C)C1=NN=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":465.2183493959999,"d":"465.2183"},{"v":466.2259493959999,"d":"466.2259"},null,null,6.25,"20_40","CC(C)C1=NN=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":482.19483499199987,"d":"482.1948"},{"v":483.2024349919999,"d":"483.2024"},0.72,null,12.5]
[41,"2,4-Difluoroaniline","Nc1ccc(F)cc1F","Cluster 006",129.039,"1_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(F)C=C2F)N=C1",{"v":418.16239199200004,"d":"418.1624"},{"v":419.16999199200006,"d":"419.1700"},0.66,25,12.5,"14_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(F)C=C2F)N=C1F",{"v":435.15772121200007,"d":"435.1577"},{"v":436.1653212120001,"d":"436.1653"},0.78,25,12.5,"15_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(F)C=C2F)=C1)C#N",{"v":441.16714302400004,"d":"441.1671"},{"v":442.17474302400007,"d":"442.1747"},0.84,250,12.5,"16_41","COC1=NC(NC2=CC=C(F)C=C2F)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":447.1777077079999,"d":"447.1777"},{"v":448.1853077079999,"d":"448.1853"},0.87,25,12.5,"17_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(F)C=C3F)=CC=C2O1",{"v":456.166808676,"d":"456.1668"},128.039,null,null,12.5,"18_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(F)C=C2F)C(=C1)[N+]([O-])=O",{"v":461.156972264,"d":"461.1570"},{"v":462.164572264,"d":"462.1646"},null,null,12.5,"19_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(F)C=C2F)C2=CC=CC=C12",{"v":467.182793088,"d":"467.1828"},{"v":468.190393088,"d":"468.1904"},null,null,6.25,"20_41","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(F)C=C2F)C(=C1)C(F)(F)F",{"v":484.159278684,"d":"484.1593"},{"v":485.16687868400004,"d":"485.1669"},1.01,null,12.5]
[42,"3,4-Difluoroaniline","Nc1ccc(F)c(F)c1","Cluster 014",129.039,"1_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(F)C(F)=C2)N=C1",{"v":418.16239199200004,"d":"418.1624"},{"v":419.16999199200006,"d":"419.1700"},0.73,25,12.5,"14_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(F)C(F)=C2)N=C1F",{"v":435.15772121200007,"d":"435.1577"},{"v":436.1653212120001,"d":"436.1653"},0.83,25,12.5,"15_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(F)C(F)=C2)=C1)C#N",{"v":441.16714302400004,"d":"441.1671"},{"v":442.17474302400007,"d":"442.1747"},0.87,250,12.5,"16_42","COC1=NC(NC2=CC=C(F)C(F)=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":447.1777077079999,"d":"447.1777"},{"v":448.1853077079999,"d":"448.1853"},0.87,25,12.5,"17_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(F)C(F)=C3)=CC=C2O1",{"v":456.166808676,"d":"456.1668"},128.039,null,null,12.5,"18_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(F)C(F)=C2)C(=C1)[N+]([O-])=O",{"v":461.156972264,"d":"461.1570"},{"v":462.164572264,"d":"462.1646"},null,null,12.5,"19_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(F)C(F)=C2)C2=CC=CC=C12",{"v":467.182793088,"d":"467.1828"},{"v":468.190393088,"d":"468.1904"},null,null,6.25,"20_42","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(F)C(F)=C2)C(=C1)C(F)(F)F",{"v":484.159278684,"d":"484.1593"},{"v":485.16687868400004,"d":"485.1669"},1.01,null,12.5]
[43,"2,3-Difluoroaniline","Nc1cccc(F)c1F","Cluster 022",129.039,"1_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C(F)C(F)=CC=C2)N=C1",{"v":418.16239199200004,"d":"418.1624"},{"v":419.16999199200006,"d":"419.1700"},0.69,25,12.5,"14_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C(F)C(F)=CC=C2)N=C1F",{"v":435.15772121200007,"d":"435.1577"},{"v":436.1653212120001,"d":"436.1653"},0.8,25,12.5,"15_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=C(F)C(F)=CC=C2)=C1)C#N",{"v":441.16714302400004,"d":"441.1671"},{"v":442.17474302400007,"d":"442.1747"},0.86,250,12.5,"16_43","COC1=NC(NC2=C(F)C(F)=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":447.1777077079999,"d":"447.1777"},{"v":448.1853077079999,"d":"448.1853"},0.87,25,12.5,"17_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=C(F)C(F)=CC=C3)=CC=C2O1",{"v":456.166808676,"d":"456.1668"},128.039,null,null,12.5,"18_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C(F)C(F)=CC=C2)C(=C1)[N+]([O-])=O",{"v":461.156972264,"d":"461.1570"},{"v":462.164572264,"d":"462.1646"},null,null,12.5,"19_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C(F)C(F)=CC=C2)C2=CC=CC=C12",{"v":467.182793088,"d":"467.1828"},{"v":468.190393088,"d":"468.1904"},null,null,6.25,"20_43","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(F)=C2F)C(=C1)C(F)(F)F",{"v":484.159278684,"d":"484.1593"},{"v":485.16687868400004,"d":"485.1669"},1.03,null,12.5]
[44,"1,2-benzisoxazol-3-amine","Nc1noc2ccccc12","Cluster 039",134.048,"1_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NOC3=CC=CC=C23)N=C1",{"v":423.171399204,"d":"423.1714"},{"v":424.17899920400004,"d":"424.1790"},0.71,25,12.5,"14_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NOC3=CC=CC=C23)N=C1F",{"v":440.16672842400004,"d":"440.1667"},{"v":441.17432842400007,"d":"441.1743"},0.85,25,12.5,"15_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=NOC3=CC=CC=C23)=C1)C#N",{"v":446.17615023600007,"d":"446.1762"},{"v":447.1837502360001,"d":"447.1838"},0.85,250,12.5,"16_44","COC1=NC(NC2=NOC3=CC=CC=C23)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":452.18671491999993,"d":"452.1867"},{"v":453.19431491999995,"d":"453.1943"},0.91,25,12.5,"17_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=NOC4=CC=CC=C34)=CC=C2O1",{"v":461.175815888,"d":"461.1758"},133.048,null,null,12.5,"18_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NOC3=CC=CC=C23)C(=C1)[N+]([O-])=O",{"v":466.165979476,"d":"466.1660"},{"v":467.17357947600004,"d":"467.1736"},null,null,12.5,"19_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NOC3=CC=CC=C23)C2=CC=CC=C12",{"v":472.1918003,"d":"472.1918"},{"v":473.19940030000004,"d":"473.1994"},null,null,6.25,"20_44","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NOC3=CC=CC=C23)C(=C1)C(F)(F)F",{"v":489.16828589600004,"d":"489.1683"},{"v":490.17588589600007,"d":"490.1759"},0.83,null,12.5]
[45,"2-Isopropylaniline","CC(C)c1ccccc1N","Cluster 152",135.1048,"1_45","CC(C)C1=CC=CC=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":424.228185808,"d":"424.2282"},{"v":425.235785808,"d":"425.2358"},0.74,25,12.5,"14_45","CC(C)C1=CC=CC=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":441.22351502799995,"d":"441.2235"},{"v":442.231115028,"d":"442.2311"},0.95,25,12.5,"15_45","CC(C)C1=CC=CC=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":447.2329368399999,"d":"447.2329"},{"v":448.24053683999995,"d":"448.2405"},1.02,250,12.5,"16_45","COC1=NC(NC2=CC=CC=C2C(C)C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":453.2435015239999,"d":"453.2435"},{"v":454.2511015239999,"d":"454.2511"},1.02,25,12.5,"17_45","CC(C)C1=CC=CC=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":462.23260249199996,"d":"462.2326"},134.1048,1.14,250,12.5,"18_45","CC(C)C1=CC=CC=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":467.22276607999993,"d":"467.2228"},{"v":468.23036607999995,"d":"468.2304"},1.1,250,12.5,"19_45","CC(C)C1=CC=CC=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":473.2485869039999,"d":"473.2486"},{"v":474.25618690399995,"d":"474.2562"},0.58,125,6.25,"20_45","CC(C)C1=CC=CC=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":490.2250724999999,"d":"490.2251"},{"v":491.2326724999999,"d":"491.2327"},1.26,250,12.5]
[46,"3-Aminobenzoic acid","Nc1cccc(c1)C(O)=O","Cluster 009",137.0477,"1_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=CC=C2)C(O)=O)N=C1",{"v":426.171064856,"d":"426.1711"},{"v":427.178664856,"d":"427.1787"},0.48,25,12.5,"14_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C(O)=O)N=C1F",{"v":443.166394076,"d":"443.1664"},{"v":444.17399407600004,"d":"444.1740"},0.57,25,12.5,"15_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(=CC=C2)C(O)=O)=C1)C#N",{"v":449.175815888,"d":"449.1758"},{"v":450.183415888,"d":"450.1834"},0.61,250,12.5,"16_46","COC1=NC(NC2=CC(=CC=C2)C(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":455.1863805719999,"d":"455.1864"},{"v":456.19398057199993,"d":"456.1940"},0.59,25,12.5,"17_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(=CC=C3)C(O)=O)=CC=C2O1",{"v":464.17548153999996,"d":"464.1755"},136.0477,0.68,250,12.5,"18_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C(O)=O)C(=C1)[N+]([O-])=O",{"v":469.16564512799994,"d":"469.1656"},{"v":470.17324512799996,"d":"470.1732"},0.66,250,12.5,"19_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=CC=C2)C(O)=O)C2=CC=CC=C12",{"v":475.19146595199993,"d":"475.1915"},{"v":476.19906595199996,"d":"476.1991"},0.4,125,6.25,"20_46","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C(O)=O)C(=C1)C(F)(F)F",{"v":492.16795154799996,"d":"492.1680"},{"v":493.175551548,"d":"493.1756"},0.74,250,12.5]
[47,"4-Nitroaniline","Nc1ccc(cc1)[N+]([O-])=O","Cluster 041",138.0429,"1_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)[N+]([O-])=O)N=C1",{"v":427.166313824,"d":"427.1663"},{"v":428.173913824,"d":"428.1739"},0.69,25,12.5,"14_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)[N+]([O-])=O)N=C1F",{"v":444.161643044,"d":"444.1616"},{"v":445.16924304400004,"d":"445.1692"},0.76,25,12.5,"15_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)[N+]([O-])=O)=C1)C#N",{"v":450.17106485600004,"d":"450.1711"},{"v":451.17866485600007,"d":"451.1787"},0.78,250,12.5,"16_47","COC1=NC(NC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":456.18162953999996,"d":"456.1816"},{"v":457.18922954,"d":"457.1892"},0.79,25,12.5,"17_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)[N+]([O-])=O)=CC=C2O1",{"v":465.17073050799996,"d":"465.1707"},137.0429,0.86,250,12.5,"18_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)[N+]([O-])=O)C(=C1)[N+]([O-])=O",{"v":470.160894096,"d":"470.1609"},{"v":471.168494096,"d":"471.1685"},0.86,250,12.5,"19_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)[N+]([O-])=O)C2=CC=CC=C12",{"v":476.18671492,"d":"476.1867"},{"v":477.19431492,"d":"477.1943"},0.62,125,6.25,"20_47","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)[N+]([O-])=O)C(=C1)C(F)(F)F",{"v":493.163200516,"d":"493.1632"},{"v":494.17080051600004,"d":"494.1708"},0.89,250,12.5]
[48,"3-Aminoisonicotinic acid","Nc1cnccc1C(O)=O","Cluster 070",138.0429,"1_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CN=CC=C2C(O)=O)N=C1",{"v":427.166313824,"d":"427.1663"},{"v":428.173913824,"d":"428.1739"},0.34,25,12.5,"14_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CN=CC=C2C(O)=O)N=C1F",{"v":444.161643044,"d":"444.1616"},{"v":445.16924304400004,"d":"445.1692"},0.38,25,12.5,"15_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CN=CC=C2C(O)=O)=C1)C#N",{"v":450.17106485600004,"d":"450.1711"},{"v":451.17866485600007,"d":"451.1787"},0.38,250,12.5,"16_48","COC1=NC(NC2=CN=CC=C2C(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":456.18162953999996,"d":"456.1816"},{"v":457.18922954,"d":"457.1892"},0.37,25,12.5,"17_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CN=CC=C3C(O)=O)=CC=C2O1",{"v":465.17073050799996,"d":"465.1707"},137.0429,0.4,250,12.5,"18_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CN=CC=C2C(O)=O)C(=C1)[N+]([O-])=O",{"v":470.160894096,"d":"470.1609"},{"v":471.168494096,"d":"471.1685"},0.44,250,12.5,"19_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CN=CC=C2C(O)=O)C2=CC=CC=C12",{"v":476.18671492,"d":"476.1867"},{"v":477.19431492,"d":"477.1943"},0.4,125,6.25,"20_48","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CN=CC=C2C(O)=O)C(=C1)C(F)(F)F",{"v":493.163200516,"d":"493.1632"},{"v":494.17080051600004,"d":"494.1708"},0.5,250,12.5]
[49,"5-Aminopyridine-2-carboxylic acid","Nc1ccc(nc1)C(O)=O","Cluster 086",138.0429,"1_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(N=C2)C(O)=O)N=C1",{"v":427.166313824,"d":"427.1663"},{"v":428.173913824,"d":"428.1739"},0.39,25,12.5,"14_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(N=C2)C(O)=O)N=C1F",{"v":444.161643044,"d":"444.1616"},{"v":445.16924304400004,"d":"445.1692"},0.41,25,12.5,"15_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(N=C2)C(O)=O)=C1)C#N",{"v":450.17106485600004,"d":"450.1711"},{"v":451.17866485600007,"d":"451.1787"},0.44,250,12.5,"16_49","COC1=NC(NC2=CC=C(N=C2)C(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":456.18162953999996,"d":"456.1816"},{"v":457.18922954,"d":"457.1892"},0.4,25,12.5,"17_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(N=C3)C(O)=O)=CC=C2O1",{"v":465.17073050799996,"d":"465.1707"},137.0429,0.74,250,12.5,"18_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(N=C2)C(O)=O)C(=C1)[N+]([O-])=O",{"v":470.160894096,"d":"470.1609"},{"v":471.168494096,"d":"471.1685"},0.48,250,12.5,"19_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(N=C2)C(O)=O)C2=CC=CC=C12",{"v":476.18671492,"d":"476.1867"},{"v":477.19431492,"d":"477.1943"},0.42,125,6.25,"20_49","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(N=C2)C(O)=O)C(=C1)C(F)(F)F",{"v":493.163200516,"d":"493.1632"},{"v":494.17080051600004,"d":"494.1708"},0.5,250,12.5]
[50,"3-Amino-2-nitropyridine","Nc1cccnc1[N+]([O-])=O","Cluster 068",139.0382,"1_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CN=C2[N+]([O-])=O)N=C1",{"v":428.16156279200004,"d":"428.1616"},{"v":429.16916279200007,"d":"429.1692"},0.55,25,12.5,"14_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CN=C2[N+]([O-])=O)N=C1F",{"v":445.15689201200007,"d":"445.1569"},{"v":446.1644920120001,"d":"446.1645"},0.61,25,12.5,"15_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CN=C2[N+]([O-])=O)=C1)C#N",{"v":451.16631382400004,"d":"451.1663"},{"v":452.17391382400007,"d":"452.1739"},0.62,250,12.5,"16_50","COC1=NC(NC2=CC=CN=C2[N+]([O-])=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":457.1768785079999,"d":"457.1769"},{"v":458.1844785079999,"d":"458.1845"},0.65,25,12.5,"17_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CN=C3[N+]([O-])=O)=CC=C2O1",{"v":466.165979476,"d":"466.1660"},138.0382,0.72,250,12.5,"18_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CN=C2[N+]([O-])=O)C(=C1)[N+]([O-])=O",{"v":471.156143064,"d":"471.1561"},{"v":472.163743064,"d":"472.1637"},0.69,250,12.5,"19_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CN=C2[N+]([O-])=O)C2=CC=CC=C12",{"v":477.181963888,"d":"477.1820"},{"v":478.189563888,"d":"478.1896"},0.7,125,6.25,"20_50","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CN=C2[N+]([O-])=O)C(=C1)C(F)(F)F",{"v":494.158449484,"d":"494.1584"},{"v":495.16604948400004,"d":"495.1660"},0.79,250,12.5]
[51,"beta-Naphthylamine","Nc1ccc2ccccc2c1","Cluster 115",143.0735,"1_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC3=CC=CC=C3C=C2)N=C1",{"v":432.19688568000004,"d":"432.1969"},{"v":433.20448568000006,"d":"433.2045"},0.82,25,12.5,"14_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC3=CC=CC=C3C=C2)N=C1F",{"v":449.19221490000007,"d":"449.1922"},{"v":450.1998149000001,"d":"450.1998"},0.92,25,12.5,"15_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC3=CC=CC=C3C=C2)=C1)C#N",{"v":455.20163671200004,"d":"455.2016"},{"v":456.20923671200006,"d":"456.2092"},0.97,250,12.5,"16_51","COC1=NC(NC2=CC3=CC=CC=C3C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":461.2122013959999,"d":"461.2122"},{"v":462.2198013959999,"d":"462.2198"},0.97,25,12.5,"17_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC4=CC=CC=C4C=C3)=CC=C2O1",{"v":470.201302364,"d":"470.2013"},142.0735,1.06,250,12.5,"18_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC3=CC=CC=C3C=C2)C(=C1)[N+]([O-])=O",{"v":475.191465952,"d":"475.1915"},{"v":476.199065952,"d":"476.1991"},1.06,250,12.5,"19_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC3=CC=CC=C3C=C2)C2=CC=CC=C12",{"v":481.217286776,"d":"481.2173"},{"v":482.224886776,"d":"482.2249"},0.57,125,6.25,"20_51","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC3=CC=CC=C3C=C2)C(=C1)C(F)(F)F",{"v":498.193772372,"d":"498.1938"},{"v":499.20137237200004,"d":"499.2014"},1.12,250,12.5]
[52,"8-Aminoquinoline","Nc1cccc2cccnc12","Cluster 077",144.0687,"1_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC3=C2N=CC=C3)N=C1",{"v":433.19213464800004,"d":"433.1921"},{"v":434.19973464800006,"d":"434.1997"},0.79,25,12.5,"14_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC3=C2N=CC=C3)N=C1F",{"v":450.18746386800007,"d":"450.1875"},{"v":451.1950638680001,"d":"451.1951"},0.88,25,12.5,"15_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC3=C2N=CC=C3)=C1)C#N",{"v":456.1968856800001,"d":"456.1969"},{"v":457.2044856800001,"d":"457.2045"},0.86,250,12.5,"16_52","COC1=NC(NC2=CC=CC3=C2N=CC=C3)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":462.20745036399995,"d":"462.2075"},{"v":463.215050364,"d":"463.2151"},0.94,25,12.5,"17_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC4=C3N=CC=C4)=CC=C2O1",{"v":471.196551332,"d":"471.1966"},143.0687,1.02,250,12.5,"18_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC3=C2N=CC=C3)C(=C1)[N+]([O-])=O",{"v":476.18671492000004,"d":"476.1867"},{"v":477.19431492000007,"d":"477.1943"},0.93,250,12.5,"19_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC3=C2N=CC=C3)C2=CC=CC=C12",{"v":482.21253574400004,"d":"482.2125"},{"v":483.22013574400006,"d":"483.2201"},0.51,125,6.25,"20_52","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC3=C2N=CC=C3)C(=C1)C(F)(F)F",{"v":499.18902134000007,"d":"499.1890"},{"v":500.1966213400001,"d":"500.1966"},1.09,250,12.5]
[53,"6-Aminoquinoline","Nc1ccc2ncccc2c1","Cluster 199",144.0687,"1_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C3N=CC=CC3=C2)N=C1",{"v":433.19213464800004,"d":"433.1921"},{"v":434.19973464800006,"d":"434.1997"},0.37,25,12.5,"14_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3N=CC=CC3=C2)N=C1F",{"v":450.18746386800007,"d":"450.1875"},{"v":451.1950638680001,"d":"451.1951"},0.42,25,12.5,"15_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C3N=CC=CC3=C2)=C1)C#N",{"v":456.1968856800001,"d":"456.1969"},{"v":457.2044856800001,"d":"457.2045"},0.43,250,12.5,"16_53","COC1=NC(NC2=CC=C3N=CC=CC3=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":462.20745036399995,"d":"462.2075"},{"v":463.215050364,"d":"463.2151"},0.43,25,12.5,"17_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C4N=CC=CC4=C3)=CC=C2O1",{"v":471.196551332,"d":"471.1966"},{"$f":"E38+$BO$10-1","v":143.0687},0.44,250,12.5,"18_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3N=CC=CC3=C2)C(=C1)[N+]([O-])=O",{"v":476.18671492000004,"d":"476.1867"},{"v":477.19431492000007,"d":"477.1943"},0.53,250,12.5,"19_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C3N=CC=CC3=C2)C2=CC=CC=C12",{"v":482.21253574400004,"d":"482.2125"},{"v":483.22013574400006,"d":"483.2201"},0.4,125,6.25,"20_53","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3N=CC=CC3=C2)C(=C1)C(F)(F)F",{"v":499.18902134000007,"d":"499.1890"},{"v":500.1966213400001,"d":"500.1966"},0.53,250,12.5]
[54,"2,4,5-Trifluoroaniline","Nc1cc(F)c(F)cc1F","Cluster 217",147.0296,"1_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C(F)C=C(F)C(F)=C2)N=C1",{"v":436.15297018,"d":"436.1530"},{"v":437.16057018000004,"d":"437.1606"},0.75,25,12.5,"14_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(F)=C(F)C=C2F)N=C1F",{"v":453.14829940000004,"d":"453.1483"},{"v":454.15589940000007,"d":"454.1559"},0.85,25,12.5,"15_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=C(F)C=C(F)C(F)=C2)=C1)C#N",{"v":459.15772121200007,"d":"459.1577"},{"v":460.1653212120001,"d":"460.1653"},0.87,250,12.5,"16_54","COC1=NC(NC2=C(F)C=C(F)C(F)=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":465.16828589599993,"d":"465.1683"},{"v":466.17588589599995,"d":"466.1759"},0.91,25,12.5,"17_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=C(F)C=C(F)C(F)=C3)=CC=C2O1",{"v":474.157386864,"d":"474.1574"},146.0296,1.01,250,12.5,"18_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C(F)C=C(F)C(F)=C2)C(=C1)[N+]([O-])=O",{"v":479.147550452,"d":"479.1476"},{"v":480.15515045200004,"d":"480.1552"},0.94,250,12.5,"19_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C(F)C=C(F)C(F)=C2)C2=CC=CC=C12",{"v":485.173371276,"d":"485.1734"},{"v":486.18097127600004,"d":"486.1810"},0.54,125,6.25,"20_54","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(F)=C(F)C=C2F)C(=C1)C(F)(F)F",{"v":502.14985687200004,"d":"502.1499"},{"v":503.15745687200007,"d":"503.1575"},1.03,250,12.5]
[55,"6-Amino-1,3-dihydroisobenzofuran-1-one","Nc1ccc2COC(=O)c2c1","Cluster 207",149.0477,"1_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C3COC(=O)C3=C2)N=C1",{"v":438.171064856,"d":"438.1711"},{"v":439.178664856,"d":"439.1787"},0.5,25,12.5,"14_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3COC(=O)C3=C2)N=C1F",{"v":455.166394076,"d":"455.1664"},{"v":456.17399407600004,"d":"456.1740"},0.59,25,12.5,"15_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C3COC(=O)C3=C2)=C1)C#N",{"v":461.175815888,"d":"461.1758"},{"v":462.183415888,"d":"462.1834"},0.64,250,12.5,"16_55","COC1=NC(NC2=CC=C3COC(=O)C3=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":467.1863805719999,"d":"467.1864"},{"v":468.19398057199993,"d":"468.1940"},0.63,25,12.5,"17_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C4COC(=O)C4=C3)=CC=C2O1",{"v":476.17548153999996,"d":"476.1755"},148.0477,0.7,250,12.5,"18_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3COC(=O)C3=C2)C(=C1)[N+]([O-])=O",{"v":481.16564512799994,"d":"481.1656"},{"v":482.17324512799996,"d":"482.1732"},0.68,250,12.5,"19_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C3COC(=O)C3=C2)C2=CC=CC=C12",{"v":487.19146595199993,"d":"487.1915"},{"v":488.19906595199996,"d":"488.1991"},0.4,125,6.25,"20_55","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3COC(=O)C3=C2)C(=C1)C(F)(F)F",{"v":504.16795154799996,"d":"504.1680"},{"v":505.175551548,"d":"505.1756"},0.78,250,12.5]
[56,"4-tert-Butylaniline","CC(C)(C)c1ccc(N)cc1","Cluster 101",149.1204,"1_56","CC(C)(C)C1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":438.243835872,"d":"438.2438"},{"v":439.251435872,"d":"439.2514"},0.96,25,12.5,"14_56","CC(C)(C)C1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":455.23916509199995,"d":"455.2392"},{"v":456.246765092,"d":"456.2468"},1.07,25,12.5,"15_56","CC(C)(C)C1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":461.2485869039999,"d":"461.2486"},{"v":462.25618690399995,"d":"462.2562"},1.11,250,12.5,"16_56","COC1=NC(NC2=CC=C(C=C2)C(C)(C)C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":467.2591515879999,"d":"467.2592"},{"v":468.2667515879999,"d":"468.2668"},1.13,25,12.5,"17_56","CC(C)(C)C1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":476.24825255599995,"d":"476.2483"},148.1204,1.19,250,12.5,"18_56","CC(C)(C)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":481.2384161439999,"d":"481.2384"},{"v":482.24601614399995,"d":"482.2460"},1.21,250,12.5,"19_56","CC(C)(C)C1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":487.2642369679999,"d":"487.2642"},{"v":488.27183696799995,"d":"488.2718"},0.67,125,6.25,"20_56","CC(C)(C)C1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":504.2407225639999,"d":"504.2407"},{"v":505.2483225639999,"d":"505.2483"},1.27,250,12.5]
[57,"6-Aminobenzothiazole","Nc1ccc2ncsc2c1","Cluster 198",150.0252,"1_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C3N=CSC3=C2)N=C1",{"v":439.14855558400006,"d":"439.1486"},{"v":440.1561555840001,"d":"440.1562"},0.54,25,12.5,"14_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3N=CSC3=C2)N=C1F",{"v":456.1438848040001,"d":"456.1439"},{"v":457.1514848040001,"d":"457.1515"},0.64,25,12.5,"15_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C3N=CSC3=C2)=C1)C#N",{"v":462.1533066160001,"d":"462.1533"},{"v":463.16090661600015,"d":"463.1609"},0.68,250,12.5,"16_57","COC1=NC(NC2=CC=C3N=CSC3=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":468.1638712999999,"d":"468.1639"},{"v":469.17147129999995,"d":"469.1715"},0.67,25,12.5,"17_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C4N=CSC4=C3)=CC=C2O1",{"v":477.15297226800004,"d":"477.1530"},149.0252,0.77,250,12.5,"18_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3N=CSC3=C2)C(=C1)[N+]([O-])=O",{"v":482.1431358560001,"d":"482.1431"},{"v":483.1507358560001,"d":"483.1507"},0.76,250,12.5,"19_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C3N=CSC3=C2)C2=CC=CC=C12",{"v":488.16895668000006,"d":"488.1690"},{"v":489.1765566800001,"d":"489.1766"},0.42,125,6.25,"20_57","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C3N=CSC3=C2)C(=C1)C(F)(F)F",{"v":505.1454422760001,"d":"505.1454"},{"v":506.1530422760001,"d":"506.1530"},0.83,250,12.5]
[58,"Methyl 4-aminobenzoate","COC(=O)c1ccc(N)cc1","Cluster 001",151.0633,"1_58","COC(=O)C1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":440.18671492,"d":"440.1867"},{"v":441.19431492,"d":"441.1943"},0.65,25,12.5,"14_58","COC(=O)C1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":457.18204413999996,"d":"457.1820"},{"v":458.18964414,"d":"458.1896"},0.73,25,12.5,"15_58","COC(=O)C1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":463.19146595199993,"d":"463.1915"},{"v":464.19906595199996,"d":"464.1991"},0.78,250,12.5,"16_58","COC(=O)C1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":469.20203063599996,"d":"469.2020"},{"v":470.209630636,"d":"470.2096"},0.77,25,12.5,"17_58","COC(=O)C1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":478.19113160399996,"d":"478.1911"},150.0633,0.87,250,12.5,"18_58","COC(=O)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":483.18129519199994,"d":"483.1813"},{"v":484.18889519199996,"d":"484.1889"},0.86,250,12.5,"19_58","COC(=O)C1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":489.20711601599993,"d":"489.2071"},{"v":490.21471601599995,"d":"490.2147"},0.5,125,6.25,"20_58","COC(=O)C1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":506.18360161199996,"d":"506.1836"},{"v":507.191201612,"d":"507.1912"},0.91,250,12.5]
[59,"2-Amino-3-methylbenzoic acid","Cc1cccc(C(O)=O)c1N","Cluster 034",151.0633,"1_59","CC1=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":440.1867149199999,"d":"440.1867"},{"v":441.1943149199999,"d":"441.1943"},0.5,25,12.5,"14_59","CC1=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":457.1820441399999,"d":"457.1820"},{"v":458.1896441399999,"d":"458.1896"},0.65,25,12.5,"15_59","CC1=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":463.1914659519999,"d":"463.1915"},{"v":464.1990659519999,"d":"464.1991"},0.72,250,12.5,"16_59","COC1=NC(NC2=C(C)C=CC=C2C(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":469.2020306359999,"d":"469.2020"},{"v":470.20963063599993,"d":"470.2096"},0.72,25,12.5,"17_59","CC1=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":478.1911316039999,"d":"478.1911"},150.0633,0.83,250,12.5,"18_59","CC1=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":483.18129519199994,"d":"483.1813"},{"v":484.18889519199996,"d":"484.1889"},0.76,250,12.5,"19_59","CC1=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":489.2071160159999,"d":"489.2071"},{"v":490.2147160159999,"d":"490.2147"},0.92,125,6.25,"20_59","CC1=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=CC=C1)C(O)=O",{"v":506.1836016119999,"d":"506.1836"},{"v":507.19120161199993,"d":"507.1912"},0.76,250,12.5]
[60,"4-amino-2,1,3-benzothiadiazol","Nc1cccc2nsnc12","Cluster 190",151.0204,"1_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC3=NSN=C23)N=C1",{"v":440.1438045520001,"d":"440.1438"},{"v":441.15140455200014,"d":"441.1514"},0.76,25,12.5,"14_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC3=NSN=C23)N=C1F",{"v":457.13913377200015,"d":"457.1391"},{"v":458.1467337720002,"d":"458.1467"},0.85,25,12.5,"15_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC3=NSN=C23)=C1)C#N",{"v":463.1485555840001,"d":"463.1486"},{"v":464.15615558400015,"d":"464.1562"},0.83,250,12.5,"16_60","COC1=NC(NC2=CC=CC3=NSN=C23)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":469.1591202679999,"d":"469.1591"},{"v":470.16672026799995,"d":"470.1667"},0.89,25,12.5,"17_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC4=NSN=C34)=CC=C2O1",{"v":478.1482212360001,"d":"478.1482"},150.0204,0.99,250,12.5,"18_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC3=NSN=C23)C(=C1)[N+]([O-])=O",{"v":483.13838482400007,"d":"483.1384"},{"v":484.1459848240001,"d":"484.1460"},0.94,250,12.5,"19_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC3=NSN=C23)C2=CC=CC=C12",{"v":489.16420564800006,"d":"489.1642"},{"v":490.1718056480001,"d":"490.1718"},0.54,125,6.25,"20_60","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC3=NSN=C23)C(=C1)C(F)(F)F",{"v":506.1406912440001,"d":"506.1407"},{"v":507.1482912440001,"d":"507.1483"},1.07,250,12.5]
[61,"3-(Trifluoromethyl)-5-isoxazolamine","Nc1cc(no1)C(F)(F)F","Cluster 065",152.0197,"1_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=NO2)C(F)(F)F)N=C1",{"v":441.14313376800004,"d":"441.1431"},{"v":442.15073376800007,"d":"442.1507"},0.75,25,12.5,"14_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=NO2)C(F)(F)F)N=C1F",{"v":458.1384629880001,"d":"458.1385"},{"v":459.1460629880001,"d":"459.1461"},0.81,25,12.5,"15_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(=NO2)C(F)(F)F)=C1)C#N",{"v":464.14788480000004,"d":"464.1479"},{"v":465.15548480000007,"d":"465.1555"},0.82,250,12.5,"16_61","COC1=NC(NC2=CC(=NO2)C(F)(F)F)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":470.1584494839999,"d":"470.1584"},{"v":471.1660494839999,"d":"471.1660"},0.83,25,12.5,"17_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(=NO3)C(F)(F)F)=CC=C2O1",{"v":479.147550452,"d":"479.1476"},151.0197,1.38,250,12.5,"18_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=NO2)C(F)(F)F)C(=C1)[N+]([O-])=O",{"v":484.13771404,"d":"484.1377"},{"v":485.14531404,"d":"485.1453"},0.91,250,12.5,"19_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=NO2)C(F)(F)F)C2=CC=CC=C12",{"v":490.163534864,"d":"490.1635"},{"v":491.171134864,"d":"491.1711"},0.95,125,6.25,"20_61","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=NO2)C(F)(F)F)C(=C1)C(F)(F)F",{"v":507.14002046,"d":"507.1400"},{"v":508.14762046000004,"d":"508.1476"},0.94,250,12.5]
[62,"4-Aminosalicylic acid","Nc1ccc(C(O)=O)c(O)c1","Cluster 059",153.0426,"1_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C(O)=O)C(O)=C2)N=C1",{"v":442.16597947599996,"d":"442.1660"},{"v":443.173579476,"d":"443.1736"},0.49,25,12.5,"14_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C(O)=O)C(O)=C2)N=C1F",{"v":459.161308696,"d":"459.1613"},{"v":460.168908696,"d":"460.1689"},0.58,25,12.5,"15_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C(O)=O)C(O)=C2)=C1)C#N",{"v":465.17073050799996,"d":"465.1707"},{"v":466.178330508,"d":"466.1783"},0.6,250,12.5,"16_62","COC1=NC(NC2=CC=C(C(O)=O)C(O)=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":471.18129519199994,"d":"471.1813"},{"v":472.18889519199996,"d":"472.1889"},0.59,25,12.5,"17_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C(O)=O)C(O)=C3)=CC=C2O1",{"v":480.17039615999994,"d":"480.1704"},152.0426,0.67,250,12.5,"18_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C(O)=O)C(O)=C2)C(=C1)[N+]([O-])=O",{"v":485.1605597479999,"d":"485.1606"},{"v":486.16815974799994,"d":"486.1682"},0.67,250,12.5,"19_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C(O)=O)C(O)=C2)C2=CC=CC=C12",{"v":491.1863805719999,"d":"491.1864"},{"v":492.19398057199993,"d":"492.1940"},0.42,125,6.25,"20_62","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C(O)=O)C(O)=C2)C(=C1)C(F)(F)F",{"v":508.16286616799994,"d":"508.1629"},{"v":509.17046616799996,"d":"509.1705"},0.72,250,12.5]
[63,"2,5-Dimethoxyaniline","COc1ccc(OC)c(N)c1","Cluster 005",153.079,"1_63","COC1=CC=C(OC)C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":442.202364984,"d":"442.2024"},{"v":443.209964984,"d":"443.2100"},0.7,25,12.5,"14_63","COC1=CC=C(OC)C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":459.19769420399996,"d":"459.1977"},{"v":460.205294204,"d":"460.2053"},0.8,25,12.5,"15_63","COC1=CC=C(OC)C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":465.20711601599993,"d":"465.2071"},{"v":466.21471601599995,"d":"466.2147"},0.82,250,12.5,"16_63","COC1=CC=C(OC)C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":471.2176806999999,"d":"471.2177"},{"v":472.2252806999999,"d":"472.2253"},0.86,25,12.5,"17_63","COC1=CC=C(OC)C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":480.20678166799996,"d":"480.2068"},152.079,0.93,250,12.5,"18_63","COC1=CC=C(OC)C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":485.19694525599994,"d":"485.1969"},{"v":486.20454525599996,"d":"486.2045"},0.91,250,12.5,"19_63","COC1=CC=C(OC)C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":491.22276607999993,"d":"491.2228"},{"v":492.23036607999995,"d":"492.2304"},0.49,125,6.25,"20_63","COC1=CC=C(OC)C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":508.19925167599996,"d":"508.1993"},{"v":509.206851676,"d":"509.2069"},1.02,250,12.5]
[64,"4-Aminoveratrole","COc1ccc(N)cc1OC","Cluster 046",153.079,"1_64","COC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":442.2023649839999,"d":"442.2024"},{"v":443.20996498399995,"d":"443.2100"},0.52,25,12.5,"14_64","COC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":459.19769420399996,"d":"459.1977"},{"v":460.205294204,"d":"460.2053"},0.66,25,12.5,"15_64","COC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":465.20711601599993,"d":"465.2071"},{"v":466.21471601599995,"d":"466.2147"},0.71,250,12.5,"16_64","COC1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":471.21768069999996,"d":"471.2177"},{"v":472.2252807,"d":"472.2253"},0.7,25,12.5,"17_64","COC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":480.20678166799996,"d":"480.2068"},152.079,0.77,250,12.5,"18_64","COC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":485.19694525599994,"d":"485.1969"},{"v":486.20454525599996,"d":"486.2045"},0.79,250,12.5,"19_64","COC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":491.22276607999993,"d":"491.2228"},{"v":492.23036607999995,"d":"492.2304"},0.44,125,6.25,"20_64","COC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1OC",{"v":508.1992516759999,"d":"508.1993"},{"v":509.2068516759999,"d":"509.2069"},0.87,250,12.5]
[65,"3,5-Dimethoxyaniline ","COc1cc(N)cc(OC)c1","Cluster 146",153.079,"1_65","COC1=CC(OC)=CC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":442.202364984,"d":"442.2024"},{"v":443.209964984,"d":"443.2100"},0.66,25,12.5,"14_65","COC1=CC(OC)=CC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":459.19769420399996,"d":"459.1977"},{"v":460.205294204,"d":"460.2053"},0.76,25,12.5,"15_65","COC1=CC(OC)=CC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":465.20711601599993,"d":"465.2071"},{"v":466.21471601599995,"d":"466.2147"},0.81,250,12.5,"16_65","COC1=CC(OC)=CC(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":471.2176806999999,"d":"471.2177"},{"v":472.2252806999999,"d":"472.2253"},0.8,25,12.5,"17_65","COC1=CC(OC)=CC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":480.20678166799996,"d":"480.2068"},152.079,0.88,250,12.5,"18_65","COC1=CC(OC)=CC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":485.19694525599994,"d":"485.1969"},{"v":486.20454525599996,"d":"486.2045"},0.91,250,12.5,"19_65","COC1=CC(OC)=CC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":491.22276607999993,"d":"491.2228"},{"v":492.23036607999995,"d":"492.2304"},0.5,125,6.25,"20_65","COC1=CC(OC)=CC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":508.19925167599996,"d":"508.1993"},{"v":509.206851676,"d":"509.2069"},0.96,250,12.5]
[66,"2-Amino-5-nitrophenol","Nc1ccc(cc1O)[N+]([O-])=O","Cluster 040",154.0378,"1_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2O)[N+]([O-])=O)N=C1",{"v":443.16122844399996,"d":"443.1612"},{"v":444.168828444,"d":"444.1688"},0.64,25,12.5,"14_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2O)[N+]([O-])=O)N=C1F",{"v":460.156557664,"d":"460.1566"},{"v":461.164157664,"d":"461.1642"},0.68,25,12.5,"15_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2O)[N+]([O-])=O)=C1)C#N",{"v":466.165979476,"d":"466.1660"},{"v":467.17357947600004,"d":"467.1736"},0.71,250,12.5,"16_66","COC1=NC(NC2=CC=C(C=C2O)[N+]([O-])=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":472.17654415999993,"d":"472.1765"},{"v":473.18414415999996,"d":"473.1841"},0.72,25,12.5,"17_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3O)[N+]([O-])=O)=CC=C2O1",{"v":481.16564512799994,"d":"481.1656"},153.0378,0.77,250,12.5,"18_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2O)[N+]([O-])=O)C(=C1)[N+]([O-])=O",{"v":486.15580871599997,"d":"486.1558"},{"v":487.163408716,"d":"487.1634"},0.76,250,12.5,"19_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2O)[N+]([O-])=O)C2=CC=CC=C12",{"v":492.18162953999996,"d":"492.1816"},{"v":493.18922954,"d":"493.1892"},0.51,125,6.25,"20_66","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2O)[N+]([O-])=O)C(=C1)C(F)(F)F",{"v":509.158115136,"d":"509.1581"},{"v":510.165715136,"d":"510.1657"},0.81,250,12.5]
[67,"5-Fluoro-2-nitroaniline","Nc1cc(F)ccc1[N+]([O-])=O","Cluster 033",156.0335,"1_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(F)=CC=C2[N+]([O-])=O)N=C1",{"v":445.156892012,"d":"445.1569"},{"v":446.16449201200004,"d":"446.1645"},0.84,25,12.5,"14_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(F)=CC=C2[N+]([O-])=O)N=C1F",{"v":462.15222123200004,"d":"462.1522"},{"v":463.15982123200007,"d":"463.1598"},0.87,25,12.5,"15_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(F)=CC=C2[N+]([O-])=O)=C1)C#N",{"v":468.161643044,"d":"468.1616"},{"v":469.16924304400004,"d":"469.1692"},0.87,250,12.5,"16_67","COC1=NC(NC2=CC(F)=CC=C2[N+]([O-])=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":474.17220772799993,"d":"474.1722"},{"v":475.17980772799996,"d":"475.1798"},0.94,25,12.5,"17_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(F)=CC=C3[N+]([O-])=O)=CC=C2O1",{"v":483.161308696,"d":"483.1613"},155.0335,1.01,250,12.5,"18_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(F)=CC=C2[N+]([O-])=O)C(=C1)[N+]([O-])=O",{"v":488.15147228399996,"d":"488.1515"},{"v":489.159072284,"d":"489.1591"},0.83,250,12.5,"19_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(F)=CC=C2[N+]([O-])=O)C2=CC=CC=C12",{"v":494.17729310799996,"d":"494.1773"},{"v":495.184893108,"d":"495.1849"},1.02,125,6.25,"20_67","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(F)=CC=C2[N+]([O-])=O)C(=C1)C(F)(F)F",{"v":511.153778704,"d":"511.1538"},{"v":512.161378704,"d":"512.1614"},1.04,250,12.5]
[68,"5-Amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester","CCOC(=O)c1nnc(N)o1","Cluster 149",157.0487,"1_68","CCOC(=O)C1=NN=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":446.17212747599996,"d":"446.1721"},{"v":447.179727476,"d":"447.1797"},0.44,25,12.5,"14_68","CCOC(=O)C1=NN=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":463.16745669599993,"d":"463.1675"},{"v":464.17505669599996,"d":"464.1751"},0.57,25,12.5,"15_68","CCOC(=O)C1=NN=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":469.1768785079999,"d":"469.1769"},{"v":470.1844785079999,"d":"470.1845"},0.61,250,12.5,"16_68","CCOC(=O)C1=NN=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":475.1874431919999,"d":"475.1874"},{"v":476.1950431919999,"d":"476.1950"},0.58,25,12.5,"17_68","CCOC(=O)C1=NN=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":484.17654415999993,"d":"484.1765"},156.0487,0.65,250,12.5,"18_68","CCOC(=O)C1=NN=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":489.1667077479999,"d":"489.1667"},{"v":490.17430774799993,"d":"490.1743"},0.7,250,12.5,"19_68","CCOC(=O)C1=NN=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":495.1925285719999,"d":"495.1925"},{"v":496.2001285719999,"d":"496.2001"},0.81,125,6.25,"20_68","CCOC(=O)C1=NN=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)O1",{"v":512.1690141679999,"d":"512.1690"},{"v":513.1766141679999,"d":"513.1766"},0.69,250,12.5]
[69,"Methyl 3-amino-2-thiophenecarboxylate","COC(=O)c1sccc1N","Cluster 066",157.0197,"1_69","COC(=O)C1=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":446.143135856,"d":"446.1431"},{"v":447.15073585600004,"d":"447.1507"},0.8,25,12.5,"14_69","COC(=O)C1=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":463.13846507600005,"d":"463.1385"},{"v":464.14606507600007,"d":"464.1461"},0.89,25,12.5,"15_69","COC(=O)C1=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":469.147886888,"d":"469.1479"},{"v":470.15548688800004,"d":"470.1555"},0.89,250,12.5,"16_69","COC(=O)C1=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":475.15845157199993,"d":"475.1585"},{"v":476.16605157199996,"d":"476.1661"},0.92,25,12.5,"17_69","COC(=O)C1=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":484.14755254,"d":"484.1476"},156.0197,null,null,12.5,"18_69","COC(=O)C1=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":489.13771612799997,"d":"489.1377"},{"v":490.145316128,"d":"490.1453"},null,null,12.5,"19_69","COC(=O)C1=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":495.1635369519999,"d":"495.1635"},{"v":496.1711369519999,"d":"496.1711"},null,null,6.25,"20_69","COC(=O)C1=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=CS1",{"v":512.1400225479999,"d":"512.1400"},{"v":513.147622548,"d":"513.1476"},null,null,12.5]
[70,"2-Amino-5-tert-butyl-1,3,4-thiadiazole","CC(C)(C)c1nnc(N)s1","Cluster 137",157.0674,"1_70","CC(C)(C)C1=NN=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":446.190754744,"d":"446.1908"},{"v":447.198354744,"d":"447.1984"},0.66,25,12.5,"14_70","CC(C)(C)C1=NN=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":463.1860839639999,"d":"463.1861"},{"v":464.19368396399994,"d":"464.1937"},0.71,25,12.5,"15_70","CC(C)(C)C1=NN=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":469.1955057759999,"d":"469.1955"},{"v":470.2031057759999,"d":"470.2031"},0.71,250,12.5,"16_70","COC1=NC(NC2=NN=C(S2)C(C)(C)C)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":475.2060704599999,"d":"475.2061"},{"v":476.21367045999995,"d":"476.2137"},0.7,25,12.5,"17_70","CC(C)(C)C1=NN=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":484.195171428,"d":"484.1952"},156.0674,null,null,12.5,"18_70","CC(C)(C)C1=NN=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":489.18533501599995,"d":"489.1853"},{"v":490.192935016,"d":"490.1929"},null,null,12.5,"19_70","CC(C)(C)C1=NN=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":495.2111558399999,"d":"495.2112"},{"v":496.2187558399999,"d":"496.2188"},null,null,6.25,"20_70","CC(C)(C)C1=NN=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":512.1876414359999,"d":"512.1876"},{"v":513.195241436,"d":"513.1952"},null,null,12.5]
[71,"1-(2-Aminophenyl)pyrrole","Nc1ccccc1-n1cccc1","Cluster 049",158.0844,"1_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2N2C=CC=C2)N=C1",{"v":447.20778471200003,"d":"447.2078"},{"v":448.21538471200006,"d":"448.2154"},0.73,25,12.5,"14_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2N2C=CC=C2)N=C1F",{"v":464.20311393200006,"d":"464.2031"},{"v":465.2107139320001,"d":"465.2107"},0.87,25,12.5,"15_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC=C2N2C=CC=C2)=C1)C#N",{"v":470.2125357440001,"d":"470.2125"},{"v":471.2201357440001,"d":"471.2201"},0.87,250,12.5,"16_71","COC1=NC(NC2=CC=CC=C2N2C=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":476.22310042799995,"d":"476.2231"},{"v":477.230700428,"d":"477.2307"},0.98,25,12.5,"17_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC=C3N3C=CC=C3)=CC=C2O1",{"v":485.212201396,"d":"485.2122"},157.0844,null,null,12.5,"18_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2N2C=CC=C2)C(=C1)[N+]([O-])=O",{"v":490.20236498400004,"d":"490.2024"},{"v":491.20996498400007,"d":"491.2100"},null,null,12.5,"19_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2N2C=CC=C2)C2=CC=CC=C12",{"v":496.22818580800003,"d":"496.2282"},{"v":497.23578580800006,"d":"497.2358"},null,null,6.25,"20_71","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2N2C=CC=C2)C(=C1)C(F)(F)F",{"v":513.204671404,"d":"513.2047"},{"v":514.212271404,"d":"514.2123"},null,null,12.5]
[72,"4-(1H-Pyrrol-1-yl)aniline","Nc1ccc(cc1)-n1cccc1","Cluster 054",158.0844,"1_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)N2C=CC=C2)N=C1",{"v":447.20778471200003,"d":"447.2078"},{"v":448.21538471200006,"d":"448.2154"},0.8,25,12.5,"14_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)N2C=CC=C2)N=C1F",{"v":464.20311393200006,"d":"464.2031"},{"v":465.2107139320001,"d":"465.2107"},0.91,25,12.5,"15_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)N2C=CC=C2)=C1)C#N",{"v":470.2125357440001,"d":"470.2125"},{"v":471.2201357440001,"d":"471.2201"},0.91,250,12.5,"16_72","COC1=NC(NC2=CC=C(C=C2)N2C=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":476.22310042799995,"d":"476.2231"},{"v":477.230700428,"d":"477.2307"},0.95,25,12.5,"17_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)N3C=CC=C3)=CC=C2O1",{"v":485.212201396,"d":"485.2122"},157.0844,null,null,12.5,"18_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)N2C=CC=C2)C(=C1)[N+]([O-])=O",{"v":490.20236498400004,"d":"490.2024"},{"v":491.20996498400007,"d":"491.2100"},null,null,12.5,"19_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)N2C=CC=C2)C2=CC=CC=C12",{"v":496.22818580800003,"d":"496.2282"},{"v":497.23578580800006,"d":"497.2358"},null,null,6.25,"20_72","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)N2C=CC=C2)C(=C1)C(F)(F)F",{"v":513.204671404,"d":"513.2047"},{"v":514.212271404,"d":"514.2123"},null,null,12.5]
[73,"4-Methyl-5-nitrothiazol-2-amine","Cc1nc(N)sc1[N+]([O-])=O","Cluster 139",159.0102,"1_73","CC1=C(SC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":448.13363379199996,"d":"448.1336"},{"v":449.141233792,"d":"449.1412"},0.65,25,12.5,"14_73","CC1=C(SC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":465.128963012,"d":"465.1290"},{"v":466.136563012,"d":"466.1366"},0.73,25,12.5,"15_73","CC1=C(SC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":471.13838482399996,"d":"471.1384"},{"v":472.145984824,"d":"472.1460"},0.73,250,12.5,"16_73","COC1=NC(NC2=NC(C)=C(S2)[N+]([O-])=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":477.14894950799993,"d":"477.1489"},{"v":478.15654950799996,"d":"478.1565"},0.68,25,12.5,"17_73","CC1=C(SC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":486.138050476,"d":"486.1381"},158.0102,null,null,12.5,"18_73","CC1=C(SC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":491.12821406399996,"d":"491.1282"},{"v":492.135814064,"d":"492.1358"},null,null,12.5,"19_73","CC1=C(SC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":497.15403488799996,"d":"497.1540"},{"v":498.161634888,"d":"498.1616"},null,null,6.25,"20_73","CC1=C(SC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1)[N+]([O-])=O",{"v":514.1305204839999,"d":"514.1305"},{"v":515.138120484,"d":"515.1381"},null,null,12.5]
[74,"2-(Trifluoromethyl)aniline","Nc1ccccc1C(F)(F)F","Cluster 076",161.0452,"1_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2C(F)(F)F)N=C1",{"v":450.168620244,"d":"450.1686"},{"v":451.17622024400004,"d":"451.1762"},0.75,25,12.5,"14_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C(F)(F)F)N=C1F",{"v":467.16394946400004,"d":"467.1639"},{"v":468.17154946400007,"d":"468.1715"},0.87,25,12.5,"15_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC=C2C(F)(F)F)=C1)C#N",{"v":473.17337127600007,"d":"473.1734"},{"v":474.1809712760001,"d":"474.1810"},0.87,250,12.5,"16_74","COC1=NC(NC2=CC=CC=C2C(F)(F)F)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":479.1839359599999,"d":"479.1839"},{"v":480.19153595999995,"d":"480.1915"},0.97,25,12.5,"17_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC=C3C(F)(F)F)=CC=C2O1",{"v":488.173036928,"d":"488.1730"},160.0452,null,null,12.5,"18_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C(F)(F)F)C(=C1)[N+]([O-])=O",{"v":493.163200516,"d":"493.1632"},{"v":494.17080051600004,"d":"494.1708"},null,null,12.5,"19_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2C(F)(F)F)C2=CC=CC=C12",{"v":499.18902134,"d":"499.1890"},{"v":500.19662134000004,"d":"500.1966"},null,null,6.25,"20_74","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C(F)(F)F)C(=C1)C(F)(F)F",{"v":516.165506936,"d":"516.1655"},{"v":517.1731069360001,"d":"517.1731"},null,null,12.5]
[75,"2-Amino-5-(trifluoromethyl)pyridine","Nc1ccc(cn1)C(F)(F)F","Cluster 127",162.0405,"1_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=N2)C(F)(F)F)N=C1",{"v":451.16386921200007,"d":"451.1639"},{"v":452.1714692120001,"d":"452.1715"},0.72,25,12.5,"14_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=N2)C(F)(F)F)N=C1F",{"v":468.1591984320001,"d":"468.1592"},{"v":469.1667984320001,"d":"469.1668"},0.87,25,12.5,"15_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=N2)C(F)(F)F)=C1)C#N",{"v":474.16862024400007,"d":"474.1686"},{"v":475.1762202440001,"d":"475.1762"},0.87,250,12.5,"16_75","COC1=NC(NC2=CC=C(C=N2)C(F)(F)F)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":480.1791849279999,"d":"480.1792"},{"v":481.18678492799995,"d":"481.1868"},0.85,25,12.5,"17_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=N3)C(F)(F)F)=CC=C2O1",{"v":489.16828589600004,"d":"489.1683"},161.0405,null,null,12.5,"18_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=N2)C(F)(F)F)C(=C1)[N+]([O-])=O",{"v":494.158449484,"d":"494.1584"},{"v":495.16604948400004,"d":"495.1660"},null,null,12.5,"19_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=N2)C(F)(F)F)C2=CC=CC=C12",{"v":500.184270308,"d":"500.1843"},{"v":501.19187030800003,"d":"501.1919"},null,null,6.25,"20_75","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=N2)C(F)(F)F)C(=C1)C(F)(F)F",{"v":517.1607559040001,"d":"517.1608"},{"v":518.1683559040001,"d":"518.1684"},null,null,12.5]
[76,"N,N-Diethyl-p-phenylenediamine","CCN(CC)c1ccc(N)cc1","Cluster 100",164.1313,"1_76","CCN(CC)C1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":453.254734904,"d":"453.2547"},{"v":454.262334904,"d":"454.2623"},0.38,25,12.5,"14_76","CCN(CC)C1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":470.25006412399995,"d":"470.2501"},{"v":471.257664124,"d":"471.2577"},0.43,25,12.5,"15_76","CCN(CC)C1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":476.259485936,"d":"476.2595"},{"v":477.267085936,"d":"477.2671"},0.43,250,12.5,"16_76","CCN(CC)C1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":482.27005061999995,"d":"482.2701"},{"v":483.27765062,"d":"483.2777"},0.43,25,12.5,"17_76","CCN(CC)C1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":491.2591515879999,"d":"491.2592"},163.1313,null,null,12.5,"18_76","CCN(CC)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":496.2493151759999,"d":"496.2493"},{"v":497.25691517599995,"d":"497.2569"},null,null,12.5,"19_76","CCN(CC)C1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":502.2751359999999,"d":"502.2751"},{"v":503.28273599999994,"d":"503.2827"},null,null,6.25,"20_76","CCN(CC)C1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":519.251621596,"d":"519.2516"},{"v":520.259221596,"d":"520.2592"},null,null,12.5]
[77,"Ethyl 2-aminobenzoate","CCOC(=O)c1ccccc1N","Cluster 007",165.079,"1_77","CCOC(=O)C1=CC=CC=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":454.2023649839999,"d":"454.2024"},{"v":455.20996498399995,"d":"455.2100"},0.94,25,12.5,"14_77","CCOC(=O)C1=CC=CC=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":471.19769420399996,"d":"471.1977"},{"v":472.205294204,"d":"472.2053"},1.03,25,12.5,"15_77","CCOC(=O)C1=CC=CC=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":477.20711601599993,"d":"477.2071"},{"v":478.21471601599995,"d":"478.2147"},1.03,250,12.5,"16_77","CCOC(=O)C1=CC=CC=C1NC1=CC=C(C(OC)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":483.2176806999999,"d":"483.2177"},{"v":484.2252806999999,"d":"484.2253"},1.09,25,12.5,"17_77","CCOC(=O)C1=CC=CC=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":492.20678166799996,"d":"492.2068"},164.079,null,null,12.5,"18_77","CCOC(=O)C1=CC=CC=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":497.19694525599994,"d":"497.1969"},{"v":498.20454525599996,"d":"498.2045"},null,null,12.5,"19_77","CCOC(=O)C1=CC=CC=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":503.22276607999993,"d":"503.2228"},{"v":504.23036607999995,"d":"504.2304"},null,null,6.25,"20_77","CCOC(=O)C1=CC=CC=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":520.199251676,"d":"520.1993"},{"v":521.206851676,"d":"521.2069"},null,null,12.5]
[78,"2-Amino-5-methoxybenzoic acid","COc1ccc(N)c(c1)C(O)=O","Cluster 024",167.0582,"1_78","COC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":456.1816295399999,"d":"456.1816"},{"v":457.1892295399999,"d":"457.1892"},0.61,25,12.5,"14_78","COC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":473.17695875999993,"d":"473.1770"},{"v":474.18455875999996,"d":"474.1846"},0.69,25,12.5,"15_78","COC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":479.1863805719999,"d":"479.1864"},{"v":480.19398057199993,"d":"480.1940"},0.71,250,12.5,"16_78","COC1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":485.19694525599994,"d":"485.1969"},{"v":486.20454525599996,"d":"486.2045"},0.72,25,12.5,"17_78","COC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":494.18604622399994,"d":"494.1860"},166.0582,null,null,12.5,"18_78","COC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":499.1762098119999,"d":"499.1762"},{"v":500.18380981199994,"d":"500.1838"},null,null,12.5,"19_78","COC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":505.2020306359999,"d":"505.2020"},{"v":506.20963063599993,"d":"506.2096"},null,null,6.25,"20_78","COC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(=C1)C(O)=O",{"v":522.1785162319999,"d":"522.1785"},{"v":523.1861162319999,"d":"523.1861"},null,null,12.5]
[79,"4-Aminobiphenyl","Nc1ccc(cc1)-c1ccccc1","Cluster 018",169.0891,"1_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C2=CC=CC=C2)N=C1",{"v":458.21253574400004,"d":"458.2125"},{"v":459.22013574400006,"d":"459.2201"},0.93,25,12.5,"14_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C2=CC=CC=C2)N=C1F",{"v":475.20786496400007,"d":"475.2079"},{"v":476.2154649640001,"d":"476.2155"},1.02,25,12.5,"15_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)C2=CC=CC=C2)=C1)C#N",{"v":481.21728677600004,"d":"481.2173"},{"v":482.22488677600006,"d":"482.2249"},1.06,250,12.5,"16_79","COC1=NC(NC2=CC=C(C=C2)C2=CC=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":487.2278514599999,"d":"487.2279"},{"v":488.2354514599999,"d":"488.2355"},1.06,25,12.5,"17_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)C3=CC=CC=C3)=CC=C2O1",{"v":496.216952428,"d":"496.2170"},168.0891,null,null,12.5,"18_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C2=CC=CC=C2)C(=C1)[N+]([O-])=O",{"v":501.207116016,"d":"501.2071"},{"v":502.214716016,"d":"502.2147"},null,null,12.5,"19_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=CC=C12",{"v":507.23293684,"d":"507.2329"},{"v":508.24053684,"d":"508.2405"},null,null,6.25,"20_79","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C2=CC=CC=C2)C(=C1)C(F)(F)F",{"v":524.2094224360001,"d":"524.2094"},{"v":525.2170224360001,"d":"525.2170"},null,null,12.5]
[80,"3-Pyridin-3-ylaniline","Nc1cccc(c1)-c1cccnc1","Cluster 010",170.0844,"1_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)C2=CC=CN=C2)N=C1",{"v":459.20778471200003,"d":"459.2078"},{"v":460.21538471200006,"d":"460.2154"},0.43,25,12.5,"14_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=CC=CN=C2)N=C1F",{"v":476.20311393200006,"d":"476.2031"},{"v":477.2107139320001,"d":"477.2107"},0.5,25,12.5,"15_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC(=C2)C2=CC=CN=C2)=C1)C#N",{"v":482.2125357440001,"d":"482.2125"},{"v":483.2201357440001,"d":"483.2201"},0.54,250,12.5,"16_80","COC1=NC(NC2=CC=CC(=C2)C2=CC=CN=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":488.22310042799995,"d":"488.2231"},{"v":489.230700428,"d":"489.2307"},0.53,25,12.5,"17_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC(=C3)C3=CC=CN=C3)=CC=C2O1",{"v":497.212201396,"d":"497.2122"},169.0844,null,null,12.5,"18_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=CC=CN=C2)C(=C1)[N+]([O-])=O",{"v":502.20236498400004,"d":"502.2024"},{"v":503.20996498400007,"d":"503.2100"},null,null,12.5,"19_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)C2=CC=CN=C2)C2=CC=CC=C12",{"v":508.22818580800003,"d":"508.2282"},{"v":509.23578580800006,"d":"509.2358"},null,null,6.25,"20_80","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=CC=CN=C2)C(=C1)C(F)(F)F",{"v":525.204671404,"d":"525.2047"},{"v":526.212271404,"d":"526.2123"},null,null,12.5]
[81,"3-(2-Pyridyl)aniline, 97%","Nc1cccc(c1)-c1ccccn1","Cluster 114",170.0844,"1_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)C2=CC=CC=N2)N=C1",{"v":459.20778471200003,"d":"459.2078"},{"v":460.21538471200006,"d":"460.2154"},0.49,25,12.5,"14_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=CC=CC=N2)N=C1F",{"v":476.20311393200006,"d":"476.2031"},{"v":477.2107139320001,"d":"477.2107"},0.7,25,12.5,"15_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC(=C2)C2=CC=CC=N2)=C1)C#N",{"v":482.2125357440001,"d":"482.2125"},{"v":483.2201357440001,"d":"483.2201"},0.65,250,12.5,"16_81","COC1=NC(NC2=CC=CC(=C2)C2=CC=CC=N2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":488.22310042799995,"d":"488.2231"},{"v":489.230700428,"d":"489.2307"},0.62,25,12.5,"17_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC(=C3)C3=CC=CC=N3)=CC=C2O1",{"v":497.212201396,"d":"497.2122"},169.0844,null,null,12.5,"18_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=CC=CC=N2)C(=C1)[N+]([O-])=O",{"v":502.20236498400004,"d":"502.2024"},{"v":503.20996498400007,"d":"503.2100"},null,null,12.5,"19_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)C2=CC=CC=N2)C2=CC=CC=C12",{"v":508.22818580800003,"d":"508.2282"},{"v":509.23578580800006,"d":"509.2358"},null,null,6.25,"20_81","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=CC=CC=N2)C(=C1)C(F)(F)F",{"v":525.204671404,"d":"525.2047"},{"v":526.212271404,"d":"526.2123"},null,null,12.5]
[82,"Ethyl 2-Aminothiazole-4-carboxylate,>97%","CCOC(=O)c1csc(N)n1","Cluster 027",172.0306,"1_82","CCOC(=O)C1=CSC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":461.15403488799996,"d":"461.1540"},{"v":462.161634888,"d":"462.1616"},0.63,25,12.5,"14_82","CCOC(=O)C1=CSC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":478.14936410799993,"d":"478.1494"},{"v":479.15696410799995,"d":"479.1570"},0.59,25,12.5,"15_82","CCOC(=O)C1=CSC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":484.15878591999996,"d":"484.1588"},{"v":485.16638592,"d":"485.1664"},1.11,250,12.5,"16_82","CCOC(=O)C1=CSC(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":490.169350604,"d":"490.1694"},{"v":491.176950604,"d":"491.1770"},0.68,25,12.5,"17_82","CCOC(=O)C1=CSC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":499.15845157199993,"d":"499.1585"},171.0306,null,null,12.5,"18_82","CCOC(=O)C1=CSC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":504.14861515999996,"d":"504.1486"},{"v":505.15621516,"d":"505.1562"},null,null,12.5,"19_82","CCOC(=O)C1=CSC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":510.174435984,"d":"510.1744"},{"v":511.18203598400004,"d":"511.1820"},null,null,6.25,"20_82","CCOC(=O)C1=CSC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=N1",{"v":527.1509215799999,"d":"527.1509"},{"v":528.15852158,"d":"528.1585"},null,null,12.5]
[83,"2-Aminobenzenesulfonamide","Nc1ccccc1S(N)(=O)=O","Cluster 112",172.0306,"1_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2S(N)(=O)=O)N=C1",{"v":461.15403488799996,"d":"461.1540"},{"v":462.161634888,"d":"462.1616"},0.47,25,12.5,"14_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2S(N)(=O)=O)N=C1F",{"v":478.149364108,"d":"478.1494"},{"v":479.156964108,"d":"479.1570"},0.59,25,12.5,"15_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC=C2S(N)(=O)=O)=C1)C#N",{"v":484.15878592,"d":"484.1588"},{"v":485.16638592000004,"d":"485.1664"},0.64,250,12.5,"16_83","COC1=NC(NC2=CC=CC=C2S(N)(=O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":490.169350604,"d":"490.1694"},{"v":491.176950604,"d":"491.1770"},0.63,25,12.5,"17_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC=C3S(N)(=O)=O)=CC=C2O1",{"v":499.15845157199993,"d":"499.1585"},171.0306,null,null,12.5,"18_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2S(N)(=O)=O)C(=C1)[N+]([O-])=O",{"v":504.14861515999996,"d":"504.1486"},{"v":505.15621516,"d":"505.1562"},null,null,12.5,"19_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2S(N)(=O)=O)C2=CC=CC=C12",{"v":510.17443598399996,"d":"510.1744"},{"v":511.182035984,"d":"511.1820"},null,null,6.25,"20_83","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2S(N)(=O)=O)C(=C1)C(F)(F)F",{"v":527.1509215799999,"d":"527.1509"},{"v":528.15852158,"d":"528.1585"},null,null,12.5]
[84,"5-Amino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester","CCOC(=O)c1nnc(N)s1","Cluster 098",173.0259,"1_84","CCOC(=O)C1=NN=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":462.14928385599995,"d":"462.1493"},{"v":463.156883856,"d":"463.1569"},0.57,25,12.5,"14_84","CCOC(=O)C1=NN=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":479.144613076,"d":"479.1446"},{"v":480.152213076,"d":"480.1522"},0.62,25,12.5,"15_84","CCOC(=O)C1=NN=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":485.15403488799996,"d":"485.1540"},{"v":486.161634888,"d":"486.1616"},0.66,250,12.5,"16_84","CCOC(=O)C1=NN=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":491.1645995719999,"d":"491.1646"},{"v":492.1721995719999,"d":"492.1722"},0.6,25,12.5,"17_84","CCOC(=O)C1=NN=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":500.15370053999993,"d":"500.1537"},172.0259,null,null,12.5,"18_84","CCOC(=O)C1=NN=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":505.1438641279999,"d":"505.1439"},{"v":506.15146412799993,"d":"506.1515"},null,null,12.5,"19_84","CCOC(=O)C1=NN=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":511.16968495199995,"d":"511.1697"},{"v":512.1772849519999,"d":"512.1773"},null,null,6.25,"20_84","CCOC(=O)C1=NN=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)S1",{"v":528.1461705479999,"d":"528.1462"},{"v":529.1537705479999,"d":"529.1538"},null,null,12.5]
[85,"3-(1,3-Thiazol-2-yl)aniline","Nc1cccc(c1)-c1nccs1","Cluster 113",176.0408,"1_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)C2=NC=CS2)N=C1",{"v":465.16420564800006,"d":"465.1642"},{"v":466.1718056480001,"d":"466.1718"},0.7,25,12.5,"14_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=NC=CS2)N=C1F",{"v":482.1595348680001,"d":"482.1595"},{"v":483.1671348680001,"d":"483.1671"},0.8,25,12.5,"15_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC(=C2)C2=NC=CS2)=C1)C#N",{"v":488.1689566800001,"d":"488.1690"},{"v":489.17655668000015,"d":"489.1766"},0.85,250,12.5,"16_85","COC1=NC(NC2=CC=CC(=C2)C2=NC=CS2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":494.1795213639999,"d":"494.1795"},{"v":495.18712136399995,"d":"495.1871"},0.84,25,12.5,"17_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC(=C3)C3=NC=CS3)=CC=C2O1",{"v":503.16862233200004,"d":"503.1686"},{"$f":"E70+$BO$10-1","v":175.0408},null,null,12.5,"18_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=NC=CS2)C(=C1)[N+]([O-])=O",{"v":508.15878592000007,"d":"508.1588"},{"v":509.1663859200001,"d":"509.1664"},null,null,12.5,"19_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)C2=NC=CS2)C2=CC=CC=C12",{"v":514.184606744,"d":"514.1846"},{"v":515.192206744,"d":"515.1922"},null,null,6.25,"20_85","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)C2=NC=CS2)C(=C1)C(F)(F)F",{"v":531.1610923400001,"d":"531.1611"},{"v":532.1686923400001,"d":"532.1687"},null,null,12.5]
[86,"3-Piperidin-1-ylaniline","Nc1cccc(c1)N1CCCCC1","Cluster 031",176.1313,"1_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)N2CCCCC2)N=C1",{"v":465.25473490400003,"d":"465.2547"},{"$f":"H71+1.0076","v":{"v":466.26233490400006,"d":"466.2623"}},0.43,25,12.5,"14_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)N2CCCCC2)N=C1F",{"v":482.25006412400006,"d":"482.2501"},{"$f":"O71+1.0076","v":{"v":483.2576641240001,"d":"483.2577"}},0.49,25,12.5,"15_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC(=C2)N2CCCCC2)=C1)C#N",{"v":488.2594859360001,"d":"488.2595"},{"$f":"V71+1.0076","v":{"v":489.2670859360001,"d":"489.2671"}},0.53,250,12.5,"16_86","COC1=NC(NC2=CC=CC(=C2)N2CCCCC2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":494.27005061999995,"d":"494.2701"},{"$f":"AC71+1.0076","v":{"v":495.27765062,"d":"495.2777"}},0.5,25,12.5,"17_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC(=C3)N3CCCCC3)=CC=C2O1",{"v":503.259151588,"d":"503.2592"},175.1313,null,null,12.5,"18_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)N2CCCCC2)C(=C1)[N+]([O-])=O",{"v":508.24931517600004,"d":"508.2493"},{"$f":"AQ71+1.0076","v":{"v":509.25691517600006,"d":"509.2569"}},null,null,12.5,"19_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC(=C2)N2CCCCC2)C2=CC=CC=C12",{"v":514.275136,"d":"514.2751"},{"$f":"AX71+1.0076","v":{"v":515.282736,"d":"515.2827"}},null,null,6.25,"20_86","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC(=C2)N2CCCCC2)C(=C1)C(F)(F)F",{"v":531.2516215960001,"d":"531.2516"},{"$f":"BE71+1.0076","v":{"v":532.2592215960001,"d":"532.2592"}},null,null,12.5]
[87,"3-(Trifluoromethoxy)aniline","Nc1cccc(OC(F)(F)F)c1","Cluster 080",177.0401,"1_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(OC(F)(F)F)=CC=C2)N=C1",{"v":466.163534864,"d":"466.1635"},{"v":467.171134864,"d":"467.1711"},0.89,25,12.5,"14_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(OC(F)(F)F)=CC=C2)N=C1F",{"v":483.158864084,"d":"483.1589"},{"v":484.16646408400004,"d":"484.1665"},0.96,25,12.5,"15_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(OC(F)(F)F)=CC=C2)=C1)C#N",{"v":489.16828589600004,"d":"489.1683"},{"v":490.17588589600007,"d":"490.1759"},1,250,12.5,"16_87","COC1=NC(NC2=CC(OC(F)(F)F)=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":495.17885057999996,"d":"495.1789"},{"v":496.18645058,"d":"496.1865"},1.01,25,12.5,"17_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(OC(F)(F)F)=CC=C3)=CC=C2O1",{"v":504.16795154799996,"d":"504.1680"},176.0401,null,null,12.5,"18_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(OC(F)(F)F)=CC=C2)C(=C1)[N+]([O-])=O",{"v":509.158115136,"d":"509.1581"},{"v":510.165715136,"d":"510.1657"},null,null,12.5,"19_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(OC(F)(F)F)=CC=C2)C2=CC=CC=C12",{"v":515.18393596,"d":"515.1839"},{"v":516.19153596,"d":"516.1915"},null,null,6.25,"20_87","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(OC(F)(F)F)=CC=C2)C(=C1)C(F)(F)F",{"v":532.160421556,"d":"532.1604"},{"v":533.168021556,"d":"533.1680"},null,null,12.5]
[88,"2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Nc1sc2CCCCc2c1C#N","Cluster 134",178.0565,"1_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C(C#N)C3=C(CCCC3)S2)N=C1",{"v":467.17985571200006,"d":"467.1799"},{"v":468.1874557120001,"d":"468.1875"},0.92,25,12.5,"14_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C(C#N)C3=C(CCCC3)S2)N=C1F",{"v":484.1751849320001,"d":"484.1752"},{"v":485.1827849320001,"d":"485.1828"},0.99,25,12.5,"15_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=C(C#N)C3=C(CCCC3)S2)=C1)C#N",{"v":490.1846067440001,"d":"490.1846"},{"v":491.19220674400015,"d":"491.1922"},0.99,250,12.5,"16_88","COC1=NC(NC2=C(C#N)C3=C(CCCC3)S2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":496.1951714279999,"d":"496.1952"},{"v":497.20277142799995,"d":"497.2028"},1.01,25,12.5,"17_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=C(C#N)C4=C(CCCC4)S3)=CC=C2O1",{"v":505.18427239600004,"d":"505.1843"},177.0565,null,null,12.5,"18_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C(C#N)C3=C(CCCC3)S2)C(=C1)[N+]([O-])=O",{"v":510.17443598400007,"d":"510.1744"},{"v":511.1820359840001,"d":"511.1820"},null,null,12.5,"19_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C(C#N)C3=C(CCCC3)S2)C2=CC=CC=C12",{"v":516.2002568080001,"d":"516.2003"},{"v":517.2078568080001,"d":"517.2079"},null,null,6.25,"20_88","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C(C#N)C3=C(CCCC3)S2)C(=C1)C(F)(F)F",{"v":533.176742404,"d":"533.1767"},{"v":534.1843424040001,"d":"534.1843"},null,null,12.5]
[89,"6-nitro-1,3-benzoxazol-2-amine","Nc1nc2ccc(cc2o1)[N+]([O-])=O","Cluster 106",179.0331,"1_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)N=C1",{"v":468.156477412,"d":"468.1565"},{"v":469.16407741200004,"d":"469.1641"},0.54,25,12.5,"14_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)N=C1F",{"v":485.15180663200005,"d":"485.1518"},{"v":486.15940663200007,"d":"486.1594"},0.75,25,12.5,"15_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)=C1)C#N",{"v":491.161228444,"d":"491.1612"},{"v":492.16882844400004,"d":"492.1688"},0.81,250,12.5,"16_89","COC1=NC(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":497.17179312799993,"d":"497.1718"},{"v":498.17939312799996,"d":"498.1794"},0.79,25,12.5,"17_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=NC4=CC=C(C=C4O3)[N+]([O-])=O)=CC=C2O1",{"v":506.160894096,"d":"506.1609"},178.0331,null,null,12.5,"18_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)C(=C1)[N+]([O-])=O",{"v":511.15105768399997,"d":"511.1511"},{"v":512.158657684,"d":"512.1587"},null,null,12.5,"19_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)C2=CC=CC=C12",{"v":517.176878508,"d":"517.1769"},{"v":518.184478508,"d":"518.1845"},null,null,6.25,"20_89","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC3=CC=C(C=C3O2)[N+]([O-])=O)C(=C1)C(F)(F)F",{"v":534.153364104,"d":"534.1534"},{"v":535.1609641040001,"d":"535.1610"},null,null,12.5]
[90,"9-(2-Hydroxyethyl)adenine","Nc1ncnc2n(CCO)cnc12","Cluster 103",179.0807,"1_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C3N=CN(CCO)C3=NC=N2)N=C1",{"v":468.2040963000001,"d":"468.2041"},{"v":469.21169630000014,"d":"469.2117"},0.7,25,12.5,"14_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C3N=CN(CCO)C3=NC=N2)N=C1F",{"v":485.19942552000015,"d":"485.1994"},{"v":486.2070255200002,"d":"486.2070"},0.81,25,12.5,"15_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=C3N=CN(CCO)C3=NC=N2)=C1)C#N",{"v":491.2088473320001,"d":"491.2088"},{"v":492.21644733200014,"d":"492.2164"},0.86,250,12.5,"16_90","COC1=NC(NC2=C3N=CN(CCO)C3=NC=N2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":497.2194120159999,"d":"497.2194"},{"v":498.22701201599995,"d":"498.2270"},0.85,25,12.5,"17_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=C4N=CN(CCO)C4=NC=N3)=CC=C2O1",{"v":506.2085129840001,"d":"506.2085"},178.0807,null,null,12.5,"18_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C3N=CN(CCO)C3=NC=N2)C(=C1)[N+]([O-])=O",{"v":511.19867657200007,"d":"511.1987"},{"v":512.2062765720001,"d":"512.2063"},null,null,12.5,"19_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=C3N=CN(CCO)C3=NC=N2)C2=CC=CC=C12",{"v":517.2244973960001,"d":"517.2245"},{"v":518.2320973960001,"d":"518.2321"},null,null,6.25,"20_90","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=C3N=CN(CCO)C3=NC=N2)C(=C1)C(F)(F)F",{"v":534.2009829920001,"d":"534.2010"},{"v":535.2085829920002,"d":"535.2086"},null,null,12.5]
[91,"Ethyl 4-aminophenylacetate","CCOC(=O)Cc1ccc(N)cc1","Cluster 047",179.0946,"1_91","CCOC(=O)CC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":468.2180150479999,"d":"468.2180"},{"v":469.22561504799995,"d":"469.2256"},0.44,25,12.5,"14_91","CCOC(=O)CC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":485.21334426799996,"d":"485.2133"},{"v":486.220944268,"d":"486.2209"},"0.51, no prd",25,12.5,"15_91","CCOC(=O)CC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":491.22276607999993,"d":"491.2228"},{"v":492.23036607999995,"d":"492.2304"},0.53,250,12.5,"16_91","CCOC(=O)CC1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":497.2333307639999,"d":"497.2333"},{"v":498.2409307639999,"d":"498.2409"},0.53,25,12.5,"17_91","CCOC(=O)CC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":506.22243173199996,"d":"506.2224"},178.0946,null,null,12.5,"18_91","CCOC(=O)CC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":511.21259531999993,"d":"511.2126"},{"v":512.2201953199999,"d":"512.2202"},null,null,12.5,"19_91","CCOC(=O)CC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":517.238416144,"d":"517.2384"},{"v":518.246016144,"d":"518.2460"},null,null,6.25,"20_91","CCOC(=O)CC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":534.21490174,"d":"534.2149"},{"v":535.22250174,"d":"535.2225"},null,null,12.5]
[92,"Methyl 4-amino-3-methoxybenzoate","COC(=O)c1ccc(N)c(OC)c1","Cluster 037",181.0739,"1_92","COC(=O)C1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":470.19727960399996,"d":"470.1973"},{"v":471.204879604,"d":"471.2049"},0.74,25,12.5,"14_92","COC(=O)C1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":487.19260882399993,"d":"487.1926"},{"v":488.20020882399996,"d":"488.2002"},0.8,25,12.5,"15_92","COC(=O)C1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":493.2020306359999,"d":"493.2020"},{"v":494.20963063599993,"d":"494.2096"},0.83,250,12.5,"16_92","COC(=O)C1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":499.21259531999993,"d":"499.2126"},{"v":500.22019531999996,"d":"500.2202"},0.84,25,12.5,"17_92","COC(=O)C1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":508.20169628799994,"d":"508.2017"},180.0739,null,null,12.5,"18_92","COC(=O)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":513.191859876,"d":"513.1919"},{"v":514.199459876,"d":"514.1995"},null,null,12.5,"19_92","COC(=O)C1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":519.2176807,"d":"519.2177"},{"v":520.2252807,"d":"520.2253"},null,null,6.25,"20_92","COC(=O)C1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C(OC)=C1",{"v":536.1941662959999,"d":"536.1942"},{"v":537.201766296,"d":"537.2018"},null,null,12.5]
[93,"4-Amino-3-nitrobenzoic acid","Nc1ccc(cc1[N+]([O-])=O)C(O)=O","Cluster 023",182.0328,"1_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)N=C1",{"v":471.15614306399993,"d":"471.1561"},{"v":472.16374306399996,"d":"472.1637"},0.57,25,12.5,"14_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)N=C1F",{"v":488.15147228399996,"d":"488.1515"},{"v":489.159072284,"d":"489.1591"},0.64,25,12.5,"15_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)=C1)C#N",{"v":494.160894096,"d":"494.1609"},{"v":495.168494096,"d":"495.1685"},0.336,250,12.5,"16_93","COC1=NC(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":500.17145877999997,"d":"500.1715"},{"v":501.17905878,"d":"501.1791"},0.67,25,12.5,"17_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3[N+]([O-])=O)C(O)=O)=CC=C2O1",{"v":509.1605597479999,"d":"509.1606"},181.0328,null,null,12.5,"18_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)C(=C1)[N+]([O-])=O",{"v":514.1507233359999,"d":"514.1507"},{"v":515.158323336,"d":"515.1583"},null,null,12.5,"19_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)C2=CC=CC=C12",{"v":520.1765441599999,"d":"520.1765"},{"v":521.18414416,"d":"521.1841"},null,null,6.25,"20_93","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)C(O)=O)C(=C1)C(F)(F)F",{"v":537.1530297559999,"d":"537.1530"},{"v":538.1606297559999,"d":"538.1606"},null,null,12.5]
[94,"2,4,5-trimethoxyaniline, 95%","COc1cc(OC)c(OC)cc1N","Cluster 094",183.0895,"1_94","COC1=CC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C(OC)C=C1OC",{"v":472.2129296679999,"d":"472.2129"},{"v":473.2205296679999,"d":"473.2205"},0.55,25,12.5,"14_94","COC1=CC(OC)=C(OC)C=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":489.208258888,"d":"489.2083"},{"v":490.215858888,"d":"490.2159"},0.69,25,12.5,"15_94","COC1=CC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C(OC)C=C1OC",{"v":495.2176806999999,"d":"495.2177"},{"v":496.2252806999999,"d":"496.2253"},0.72,250,12.5,"16_94","COC1=CC(OC)=C(OC)C=C1NC1=CC=C(C(OC)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":501.22824538399993,"d":"501.2282"},{"v":502.23584538399996,"d":"502.2358"},0.74,25,12.5,"17_94","COC1=CC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C(OC)C=C1OC",{"v":510.21734635199994,"d":"510.2173"},182.0895,null,null,12.5,"18_94","COC1=CC(OC)=C(OC)C=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":515.2075099399999,"d":"515.2075"},{"v":516.2151099399999,"d":"516.2151"},null,null,12.5,"19_94","COC1=CC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C(OC)C=C1OC",{"v":521.2333307639999,"d":"521.2333"},{"v":522.2409307639999,"d":"522.2409"},null,null,6.25,"20_94","COC1=CC(OC)=C(OC)C=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":538.20981636,"d":"538.2098"},{"v":539.21741636,"d":"539.2174"},null,null,12.5]
[95,"3-Benzylaniline","Nc1cc(Cc2ccccc2)ccc1","Cluster 017",183.1048,"1_95","O=C(C(C)([N+]1(C(C)(C(O2)=O)C)C)C)O[B-]12C3=CN=C(NC4=CC=CC(CC5=CC=CC=C5)=C4)N=C3",472.2282,{"v":473.23580000000004,"d":"473.2358"},"0.94, no prd",25,12.5,"14_95","FC1=NC(NC2=CC=CC(CC3=CC=CC=C3)=C2)=CC=C1[B-]45OC(C(C)([N+]4(C(C)(C(O5)=O)C)C)C)=O",489.2235,490.2311,"0.62, no prd",25,12.5,"15_95","N#CC1=CC(NC2=CC=CC(CC3=CC=CC=C3)=C2)=CC([B-]45OC(C(C)([N+]4(C(C)(C(O5)=O)C)C)C)=O)=C1",495.2329,496.2405,"0.74, no prd",250,12.5,"16_95","COC1=NC(NC2=CC=CC(CC3=CC=CC=C3)=C2)=CC=C1[B-]45OC(C(C)([N+]4(C(C)(C(O5)=O)C)C)C)=O",501.2435,502.2511,"no prd",25,12.5,"17_95","O=C(C(C)([N+]1(C(C)(C(O2)=O)C)C)C)O[B-]12C3=CC4=CC(NC5=CC=CC(CC6=CC=CC=C6)=C5)=CC=C4O3",510.2326,511.2483,null,null,12.5,"18_95","[O-][N+](C1=CC([B-]23OC(C(C)([N+]2(C(C)(C(O3)=O)C)C)C)=O)=CC=C1NC4=CC=CC(CC5=CC=CC=C5)=C4)=O",515.2228,516.2304,null,null,12.5,"19_95","O=C(C(C)([N+]1(C(C)(C(O2)=O)C)C)C)O[B-]12C3=CN=C(NC4=CC=CC(CC5=CC=CC=C5)=C4)C6=CC=CC=C36",521.2486,522.2562,null,null,6.25,"20_95","FC(F)(F)C1=CC([B-]23OC(C(C)([N+]2(C(C)(C(O3)=O)C)C)C)=O)=CC=C1NC4=CC=CC(CC5=CC=CC=C5)=C4",538.2251,539.2327,null,null,12.5]
[96,"4-(4-Pyridylmethyl)aniline","Nc1ccc(Cc2ccncc2)cc1","Cluster 072",184.1,"1_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(CC3=CC=NC=C3)C=C2)N=C1",{"v":473.22343477600003,"d":"473.2234"},{"v":474.23103477600006,"d":"474.2310"},0.39,25,12.5,"14_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(CC3=CC=NC=C3)C=C2)N=C1F",{"v":490.21876399600006,"d":"490.2188"},{"v":491.2263639960001,"d":"491.2264"},0.44,25,12.5,"15_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(CC3=CC=NC=C3)C=C2)=C1)C#N",{"v":496.2281858080001,"d":"496.2282"},{"v":497.2357858080001,"d":"497.2358"},0.46,250,12.5,"16_96","COC1=NC(NC2=CC=C(CC3=CC=NC=C3)C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":502.23875049199995,"d":"502.2388"},{"v":503.246350492,"d":"503.2464"},0.47,25,12.5,"17_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(CC4=CC=NC=C4)C=C3)=CC=C2O1",{"v":511.22785146,"d":"511.2279"},{"$f":"E81+$BO$10-1","v":183.1},null,null,12.5,"18_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(CC3=CC=NC=C3)C=C2)C(=C1)[N+]([O-])=O",{"v":516.218015048,"d":"516.2180"},{"v":517.225615048,"d":"517.2256"},null,null,12.5,"19_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(CC3=CC=NC=C3)C=C2)C2=CC=CC=C12",{"v":522.243835872,"d":"522.2438"},{"v":523.251435872,"d":"523.2514"},null,null,6.25,"20_96","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(CC3=CC=NC=C3)C=C2)C(=C1)C(F)(F)F",{"v":539.2203214680001,"d":"539.2203"},{"v":540.2279214680001,"d":"540.2279"},null,null,12.5]
[97,"4-Phenoxyaniline","Nc1ccc(Oc2ccccc2)cc1","Cluster 012",185.0841,"1_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)N=C1",{"v":474.207450364,"d":"474.2075"},{"v":475.21505036400004,"d":"475.2151"},0.9,25,12.5,"14_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)N=C1F",{"v":491.20277958400004,"d":"491.2028"},{"v":492.21037958400007,"d":"492.2104"},1.01,25,12.5,"15_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(OC3=CC=CC=C3)C=C2)=C1)C#N",{"v":497.212201396,"d":"497.2122"},{"v":498.21980139600004,"d":"498.2198"},1.08,250,12.5,"16_97","COC1=NC(NC2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":503.22276607999993,"d":"503.2228"},{"v":504.23036607999995,"d":"504.2304"},1.05,25,12.5,"17_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(OC4=CC=CC=C4)C=C3)=CC=C2O1",{"v":512.2118670479999,"d":"512.2119"},184.0841,null,null,12.5,"18_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)C(=C1)[N+]([O-])=O",{"v":517.202030636,"d":"517.2020"},{"v":518.209630636,"d":"518.2096"},null,null,12.5,"19_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)C2=CC=CC=C12",{"v":523.22785146,"d":"523.2279"},{"v":524.23545146,"d":"524.2355"},null,null,6.25,"20_97","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)C(=C1)C(F)(F)F",{"v":540.204337056,"d":"540.2043"},{"v":541.211937056,"d":"541.2119"},null,null,12.5]
[98,"4-(4-fluorophenyl)-3-methylisoxazol-5-amine","Cc1noc(N)c1-c1ccc(F)cc1","Cluster 063",192.0699,"1_98","CC1=NOC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":481.19327752,"d":"481.1933"},{"v":482.20087752,"d":"482.2009"},0.67,25,12.5,"14_98","CC1=NOC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":498.18860673999995,"d":"498.1886"},{"v":499.19620674,"d":"499.1962"},0.8,25,12.5,"15_98","CC1=NOC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":504.1980285519999,"d":"504.1980"},{"v":505.20562855199995,"d":"505.2056"},0.86,250,12.5,"16_98","COC1=NC(NC2=C(C(C)=NO2)C2=CC=C(F)C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":510.2085932359999,"d":"510.2086"},{"v":511.2161932359999,"d":"511.2162"},0.83,25,12.5,"17_98","CC1=NOC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":519.197694204,"d":"519.1977"},191.0699,null,null,12.5,"18_98","CC1=NOC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":524.187857792,"d":"524.1879"},{"v":525.1954577920001,"d":"525.1955"},null,null,12.5,"19_98","CC1=NOC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":530.2136786159999,"d":"530.2137"},{"v":531.221278616,"d":"531.2213"},null,null,6.25,"20_98","CC1=NOC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C1=CC=C(F)C=C1",{"v":547.1901642119999,"d":"547.1902"},{"v":548.1977642119999,"d":"548.1978"},null,null,12.5]
[99,"4-(Trifluoromethylthio)aniline","Nc1ccc(SC(F)(F)F)cc1","Cluster 118",193.0173,"1_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(SC(F)(F)F)C=C2)N=C1",{"v":482.140691244,"d":"482.1407"},{"v":483.148291244,"d":"483.1483"},0.99,25,12.5,"14_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(SC(F)(F)F)C=C2)N=C1F",{"v":499.136020464,"d":"499.1360"},{"v":500.14362046400004,"d":"500.1436"},1.05,25,12.5,"15_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(SC(F)(F)F)C=C2)=C1)C#N",{"v":505.14544227600004,"d":"505.1454"},{"v":506.15304227600006,"d":"506.1530"},1.09,250,12.5,"16_99","COC1=NC(NC2=CC=C(SC(F)(F)F)C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":511.15600695999996,"d":"511.1560"},{"v":512.1636069599999,"d":"512.1636"},1.09,25,12.5,"17_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(SC(F)(F)F)C=C3)=CC=C2O1",{"v":520.145107928,"d":"520.1451"},192.0173,null,null,12.5,"18_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(SC(F)(F)F)C=C2)C(=C1)[N+]([O-])=O",{"v":525.135271516,"d":"525.1353"},{"v":526.142871516,"d":"526.1429"},null,null,12.5,"19_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(SC(F)(F)F)C=C2)C2=CC=CC=C12",{"v":531.16109234,"d":"531.1611"},{"v":532.16869234,"d":"532.1687"},null,null,6.25,"20_99","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(SC(F)(F)F)C=C2)C(=C1)C(F)(F)F",{"v":548.137577936,"d":"548.1376"},{"v":549.145177936,"d":"549.1452"},null,null,12.5]
[100,"4-(Hexyloxy)aniline","CCCCCCOc1ccc(N)cc1","Cluster 038",193.1467,"1_100","CCCCCCOC1=CC=C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":482.27005061999995,"d":"482.2701"},{"v":483.27765062,"d":"483.2777"},1.1,25,12.5,"14_100","CCCCCCOC1=CC=C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":499.2653798399999,"d":"499.2654"},{"v":500.27297983999995,"d":"500.2730"},1.22,25,12.5,"15_100","CCCCCCOC1=CC=C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":505.2748016519999,"d":"505.2748"},{"v":506.2824016519999,"d":"506.2824"},1.25,250,12.5,"16_100","CCCCCCOC1=CC=C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":511.2853663359999,"d":"511.2854"},{"v":512.292966336,"d":"512.2930"},1.26,25,12.5,"17_100","CCCCCCOC1=CC=C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":520.2744673039999,"d":"520.2745"},192.1467,null,null,12.5,"18_100","CCCCCCOC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":525.2646308919999,"d":"525.2646"},{"v":526.2722308919999,"d":"526.2722"},null,null,12.5,"19_100","CCCCCCOC1=CC=C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":531.2904517159999,"d":"531.2905"},{"v":532.2980517159999,"d":"532.2981"},null,null,6.25,"20_100","CCCCCCOC1=CC=C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)C=C1",{"v":548.266937312,"d":"548.2669"},{"v":549.274537312,"d":"549.2745"},null,null,12.5]
[101,"p-Aminohippuric acid","Nc1ccc(cc1)C(=O)NCC(O)=O","Cluster 087",194.0691,"1_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C(=O)NCC(O)=O)N=C1",{"v":483.19252857199996,"d":"483.1925"},{"v":484.200128572,"d":"484.2001"},0.4,25,12.5,"14_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C(=O)NCC(O)=O)N=C1F",{"v":500.187857792,"d":"500.1879"},{"v":501.195457792,"d":"501.1955"},0.46,25,12.5,"15_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)C(=O)NCC(O)=O)=C1)C#N",{"v":506.197279604,"d":"506.1973"},{"v":507.20487960400004,"d":"507.2049"},0.5,250,12.5,"16_101","COC1=NC(NC2=CC=C(C=C2)C(=O)NCC(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":512.2078442879999,"d":"512.2078"},{"v":513.215444288,"d":"513.2154"},0.47,25,12.5,"17_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)C(=O)NCC(O)=O)=CC=C2O1",{"v":521.1969452559999,"d":"521.1969"},193.0691,null,null,12.5,"18_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C(=O)NCC(O)=O)C(=C1)[N+]([O-])=O",{"v":526.1871088439999,"d":"526.1871"},{"v":527.1947088439999,"d":"527.1947"},null,null,12.5,"19_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C(=O)NCC(O)=O)C2=CC=CC=C12",{"v":532.2129296679999,"d":"532.2129"},{"v":533.2205296679999,"d":"533.2205"},null,null,6.25,"20_101","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C(=O)NCC(O)=O)C(=C1)C(F)(F)F",{"v":549.1894152639999,"d":"549.1894"},{"v":550.1970152639999,"d":"550.1970"},null,null,12.5]
[102,"4-(4-fluorophenyl)-1,3-thiazol-2-amine","Nc1nc(cs1)-c1ccc(F)cc1","Cluster 029",194.0314,"1_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC(=CS2)C2=CC=C(F)C=C2)N=C1",{"v":483.1547838360001,"d":"483.1548"},{"v":484.1623838360001,"d":"484.1624"},0.87,25,12.5,"14_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=CS2)C2=CC=C(F)C=C2)N=C1F",{"v":500.1501130560001,"d":"500.1501"},{"v":501.15771305600015,"d":"501.1577"},0.94,25,12.5,"15_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=NC(=CS2)C2=CC=C(F)C=C2)=C1)C#N",{"v":506.1595348680001,"d":"506.1595"},{"v":507.1671348680001,"d":"507.1671"},0.98,250,12.5,"16_102","COC1=NC(NC2=NC(=CS2)C2=CC=C(F)C=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":512.1700995519999,"d":"512.1701"},{"v":513.1776995519999,"d":"513.1777"},0.94,25,12.5,"17_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=NC(=CS3)C3=CC=C(F)C=C3)=CC=C2O1",{"v":521.15920052,"d":"521.1592"},193.0314,null,null,12.5,"18_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=CS2)C2=CC=C(F)C=C2)C(=C1)[N+]([O-])=O",{"v":526.1493641080001,"d":"526.1494"},{"v":527.1569641080001,"d":"527.1570"},null,null,12.5,"19_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC(=CS2)C2=CC=C(F)C=C2)C2=CC=CC=C12",{"v":532.1751849320001,"d":"532.1752"},{"v":533.1827849320001,"d":"533.1828"},null,null,6.25,"20_102","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=CS2)C2=CC=C(F)C=C2)C(=C1)C(F)(F)F",{"v":549.1516705280001,"d":"549.1517"},{"v":550.1592705280001,"d":"550.1593"},null,null,12.5]
[103,"4'-Amino-(1,1'-biphenyl)-3-carbonitrile","Nc1ccc(cc1)-c1cccc(c1)C#N","Cluster 062",194.0844,"1_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)N=C1",{"v":483.20778471200003,"d":"483.2078"},{"v":484.21538471200006,"d":"484.2154"},0.83,25,12.5,"14_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)N=C1F",{"v":500.20311393200006,"d":"500.2031"},{"v":501.2107139320001,"d":"501.2107"},0.92,25,12.5,"15_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=C1)C#N",{"v":506.2125357440001,"d":"506.2125"},{"v":507.2201357440001,"d":"507.2201"},0.96,250,12.5,"16_103","COC1=NC(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":512.223100428,"d":"512.2231"},{"v":513.230700428,"d":"513.2307"},0.95,25,12.5,"17_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)C3=CC=CC(=C3)C#N)=CC=C2O1",{"v":521.2122013960001,"d":"521.2122"},193.0844,null,null,12.5,"18_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)C(=C1)[N+]([O-])=O",{"v":526.202364984,"d":"526.2024"},{"v":527.2099649840001,"d":"527.2100"},null,null,12.5,"19_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)C2=CC=CC=C12",{"v":532.228185808,"d":"532.2282"},{"v":533.2357858080001,"d":"533.2358"},null,null,6.25,"20_103","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)C(=C1)C(F)(F)F",{"v":549.204671404,"d":"549.2047"},{"v":550.212271404,"d":"550.2123"},null,null,12.5]
[104,"2'-Amino-4',5'-dimethoxyacetophenone","COc1cc(N)c(cc1OC)C(C)=O","Cluster 095",195.0895,"1_104","COC1=C(OC)C=C(C(C)=O)C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":484.21292966799996,"d":"484.2129"},{"v":485.220529668,"d":"485.2205"},0.54,25,12.5,"14_104","COC1=C(OC)C=C(C(C)=O)C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":501.208258888,"d":"501.2083"},{"v":502.215858888,"d":"502.2159"},0.81,25,12.5,"15_104","COC1=C(OC)C=C(C(C)=O)C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":507.21768069999996,"d":"507.2177"},{"v":508.2252807,"d":"508.2253"},0.8,250,12.5,"16_104","COC1=C(OC)C=C(C(C)=O)C(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":513.2282453839999,"d":"513.2282"},{"v":514.235845384,"d":"514.2358"},0.82,25,12.5,"17_104","COC1=C(OC)C=C(C(C)=O)C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":522.2173463519999,"d":"522.2173"},194.0895,null,null,12.5,"18_104","COC1=C(OC)C=C(C(C)=O)C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":527.2075099399999,"d":"527.2075"},{"v":528.2151099399999,"d":"528.2151"},null,null,12.5,"19_104","COC1=C(OC)C=C(C(C)=O)C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":533.233330764,"d":"533.2333"},{"v":534.240930764,"d":"534.2409"},null,null,6.25,"20_104","COC1=C(OC)C=C(C(C)=O)C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":550.20981636,"d":"550.2098"},{"v":551.21741636,"d":"551.2174"},null,null,12.5]
[105,"4-Aminobenzophenone","Nc1ccc(cc1)C(=O)c1ccccc1","Cluster 032",197.0841,"1_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)N=C1",{"v":486.207450364,"d":"486.2075"},{"v":487.21505036400004,"d":"487.2151"},0.81,25,12.5,"14_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)N=C1F",{"v":503.20277958400004,"d":"503.2028"},{"v":504.21037958400007,"d":"504.2104"},0.88,25,12.5,"15_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)=C1)C#N",{"v":509.212201396,"d":"509.2122"},{"v":510.21980139600004,"d":"510.2198"},0.92,250,12.5,"16_105","COC1=NC(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":515.2227660799999,"d":"515.2228"},{"v":516.23036608,"d":"516.2304"},0.9,25,12.5,"17_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=C(C=C3)C(=O)C3=CC=CC=C3)=CC=C2O1",{"v":524.2118670479999,"d":"524.2119"},196.0841,null,null,12.5,"18_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)C(=C1)[N+]([O-])=O",{"v":529.202030636,"d":"529.2020"},{"v":530.209630636,"d":"530.2096"},null,null,12.5,"19_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)C2=CC=CC=C12",{"v":535.22785146,"d":"535.2279"},{"v":536.23545146,"d":"536.2355"},null,null,6.25,"20_105","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=C(C=C2)C(=O)C2=CC=CC=C2)C(=C1)C(F)(F)F",{"v":552.204337056,"d":"552.2043"},{"v":553.211937056,"d":"553.2119"},null,null,12.5]
[106,"5-Amino-4-cyano-3-methyl-1-phenyl-1H-pyrazole","Cc1nn(c(N)c1C#N)-c1ccccc1","Cluster 092",198.0905,"1_106","CC1=NN(C(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":487.213932712,"d":"487.2139"},{"v":488.221532712,"d":"488.2215"},0.62,25,12.5,"14_106","CC1=NN(C(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":504.209261932,"d":"504.2093"},{"v":505.21686193200003,"d":"505.2169"},0.71,25,12.5,"15_106","CC1=NN(C(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":510.21868374400003,"d":"510.2187"},{"v":511.22628374400006,"d":"511.2263"},0.77,250,12.5,"16_106","COC1=NC(NC2=C(C#N)C(C)=NN2C2=CC=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":516.2292484279999,"d":"516.2292"},{"v":517.2368484279999,"d":"517.2368"},0.75,25,12.5,"17_106","CC1=NN(C(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":525.218349396,"d":"525.2183"},197.0905,null,null,12.5,"18_106","CC1=NN(C(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":530.208512984,"d":"530.2085"},{"v":531.216112984,"d":"531.2161"},null,null,12.5,"19_106","CC1=NN(C(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":536.234333808,"d":"536.2343"},{"v":537.241933808,"d":"537.2419"},null,null,6.25,"20_106","CC1=NN(C(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1C#N)C1=CC=CC=C1",{"v":553.210819404,"d":"553.2108"},{"v":554.218419404,"d":"554.2184"},null,null,12.5]
[107,"3-(4-Methoxyphenyl)aniline","COc1ccc(cc1)-c1cccc(N)c1","Cluster 003",199.0997,"1_107","COC1=CC=C(C=C1)C1=CC=CC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":488.22310042799995,"d":"488.2231"},{"v":489.230700428,"d":"489.2307"},0.89,25,12.5,"14_107","COC1=CC=C(C=C1)C1=CC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":505.2184296479999,"d":"505.2184"},{"v":506.22602964799995,"d":"506.2260"},0.99,25,12.5,"15_107","COC1=CC=C(C=C1)C1=CC=CC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":511.22785145999995,"d":"511.2279"},{"v":512.2354514599999,"d":"512.2355"},1.02,250,12.5,"16_107","COC1=CC=C(C=C1)C1=CC(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":517.238416144,"d":"517.2384"},{"v":518.246016144,"d":"518.2460"},1.02,25,12.5,"17_107","COC1=CC=C(C=C1)C1=CC=CC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":526.227517112,"d":"526.2275"},198.0997,null,null,12.5,"18_107","COC1=CC=C(C=C1)C1=CC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":531.2176807,"d":"531.2177"},{"v":532.2252807,"d":"532.2253"},null,null,12.5,"19_107","COC1=CC=C(C=C1)C1=CC=CC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":537.243501524,"d":"537.2435"},{"v":538.251101524,"d":"538.2511"},null,null,6.25,"20_107","COC1=CC=C(C=C1)C1=CC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":554.2199871199999,"d":"554.2200"},{"v":555.22758712,"d":"555.2276"},null,null,12.5]
[108,"3-(2-Methoxyphenyl)aniline","COc1ccccc1-c1cccc(N)c1","Cluster 093",199.0997,"1_108","COC1=CC=CC=C1C1=CC=CC(NC2=NC=C(C=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":488.22310042799995,"d":"488.2231"},{"v":489.230700428,"d":"489.2307"},0.89,25,12.5,"14_108","COC1=CC=CC=C1C1=CC(NC2=CC=C(C(F)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":505.2184296479999,"d":"505.2184"},{"v":506.22602964799995,"d":"506.2260"},0.99,25,12.5,"15_108","COC1=CC=CC=C1C1=CC=CC(NC2=CC(=CC(=C2)C#N)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":511.22785145999995,"d":"511.2279"},{"v":512.2354514599999,"d":"512.2355"},1.04,250,12.5,"16_108","COC1=CC=CC=C1C1=CC(NC2=CC=C(C(OC)=N2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":517.238416144,"d":"517.2384"},{"v":518.246016144,"d":"518.2460"},1.02,25,12.5,"17_108","COC1=CC=CC=C1C1=CC=CC(NC2=CC=C3OC(=CC3=C2)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":526.227517112,"d":"526.2275"},198.0997,null,null,12.5,"18_108","COC1=CC=CC=C1C1=CC(NC2=CC=C(C=C2[N+]([O-])=O)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":531.2176807,"d":"531.2177"},{"v":532.2252807,"d":"532.2253"},null,null,12.5,"19_108","COC1=CC=CC=C1C1=CC=CC(NC2=NC=C(C3=CC=CC=C23)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=C1",{"v":537.243501524,"d":"537.2435"},{"v":538.251101524,"d":"538.2511"},null,null,6.25,"20_108","COC1=CC=CC=C1C1=CC(NC2=CC=C(C=C2C(F)(F)F)[B-]23OC(=O)C(C)(C)[N+]2(C)C(C)(C)C(=O)O3)=CC=C1",{"v":554.2199871199999,"d":"554.2200"},{"v":555.22758712,"d":"555.2276"},null,null,12.5]
[109,"2-(Phenylthio)aniline","Nc1ccccc1Sc1ccccc1","Cluster 074",201.0612,"1_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2SC2=CC=CC=C2)N=C1",{"v":490.184606744,"d":"490.1846"},{"v":491.19220674400003,"d":"491.1922"},1.02,25,12.5,"14_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2SC2=CC=CC=C2)N=C1F",{"v":507.17993596400004,"d":"507.1799"},{"v":508.18753596400006,"d":"508.1875"},1.09,25,12.5,"15_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC=C2SC2=CC=CC=C2)=C1)C#N",{"v":513.1893577760001,"d":"513.1894"},{"v":514.1969577760001,"d":"514.1970"},1.11,250,12.5,"16_109","COC1=NC(NC2=CC=CC=C2SC2=CC=CC=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":519.1999224599999,"d":"519.1999"},{"v":520.20752246,"d":"520.2075"},1.18,25,12.5,"17_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC=C3SC3=CC=CC=C3)=CC=C2O1",{"v":528.1890234279999,"d":"528.1890"},200.0612,null,null,12.5,"18_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2SC2=CC=CC=C2)C(=C1)[N+]([O-])=O",{"v":533.179187016,"d":"533.1792"},{"v":534.186787016,"d":"534.1868"},null,null,12.5,"19_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2SC2=CC=CC=C2)C2=CC=CC=C12",{"v":539.20500784,"d":"539.2050"},{"v":540.21260784,"d":"540.2126"},null,null,6.25,"20_109","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2SC2=CC=CC=C2)C(=C1)C(F)(F)F",{"v":556.181493436,"d":"556.1815"},{"v":557.189093436,"d":"557.1891"},null,null,12.5]
[110,"3-Amino-4-imidazol-1-yl-benzoic acid","Nc1cc(ccc1-n1ccnc1)C(O)=O","Cluster 050",203.0695,"1_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)N=C1",{"v":492.19286292000004,"d":"492.1929"},{"v":493.20046292000006,"d":"493.2005"},0.3,25,12.5,"14_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)N=C1F",{"v":509.18819214000007,"d":"509.1882"},{"v":510.1957921400001,"d":"510.1958"},0.34,25,12.5,"15_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)=C1)C#N",{"v":515.1976139520001,"d":"515.1976"},{"v":516.2052139520001,"d":"516.2052"},0.37,250,12.5,"16_110","COC1=NC(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":521.208178636,"d":"521.2082"},{"v":522.215778636,"d":"522.2158"},0.36,25,12.5,"17_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(=CC=C3N3C=CN=C3)C(O)=O)=CC=C2O1",{"v":530.197279604,"d":"530.1973"},202.0695,null,null,12.5,"18_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)C(=C1)[N+]([O-])=O",{"v":535.187443192,"d":"535.1874"},{"v":536.1950431920001,"d":"536.1950"},null,null,12.5,"19_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)C2=CC=CC=C12",{"v":541.2132640159999,"d":"541.2133"},{"v":542.220864016,"d":"542.2209"},null,null,6.25,"20_110","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=CC=C2N2C=CN=C2)C(O)=O)C(=C1)C(F)(F)F",{"v":558.189749612,"d":"558.1897"},{"v":559.197349612,"d":"559.1973"},null,null,12.5]
[111,"Sulfacetamide","CC(=O)NS(=O)(=O)c1ccc(N)cc1","Cluster 011",214.0412,"1_111","CC1(C(O[B-]2(C3=CN=C(N=C3)NC4=CC=C(S(NC(C)=O)(=O)=O)C=C4)OC(C(C)([N+]12C)C)=O)=O)C",{"v":503.1645995719999,"d":"503.1646"},{"v":504.1721995719999,"d":"504.1722"},0.47,25,12.5,"14_111","CC1(C(O[B-]2(C3=CC=C(N=C3F)NC4=CC=C(S(NC(C)=O)(=O)=O)C=C4)OC(C(C)([N+]12C)C)=O)=O)C",{"v":520.159928792,"d":"520.1599"},{"v":521.167528792,"d":"521.1675"},0.53,25,12.5,"15_111","CC1(C(O[B-]2(C3=CC(C#N)=CC(NC4=CC=C(S(NC(C)=O)(=O)=O)C=C4)=C3)OC(C(C)([N+]12C)C)=O)=O)C",{"v":526.1693506039999,"d":"526.1694"},{"v":527.1769506039999,"d":"527.1770"},0.57,250,12.5,"16_111","COC1=NC(NC2=CC=C(S(NC(C)=O)(=O)=O)C=C2)=CC=C1[B-]34OC(C(C)([N+]3(C(C)(C(O4)=O)C)C)C)=O",{"v":532.179915288,"d":"532.1799"},{"v":533.187515288,"d":"533.1875"},0.55,25,12.5,"17_111","CC1(C(O[B-]2(C3=CC4=CC(NC5=CC=C(S(NC(C)=O)(=O)=O)C=C5)=CC=C4O3)OC(C(C)([N+]12C)C)=O)=O)C",{"v":541.1690162559998,"d":"541.1690"},213.0412,null,null,12.5,"18_111","CC1(C(O[B-]2(C3=CC=C(C([N+]([O-])=O)=C3)NC4=CC=C(S(NC(C)=O)(=O)=O)C=C4)OC(C(C)([N+]12C)C)=O)=O)C",{"v":546.1591798439998,"d":"546.1592"},{"v":547.1667798439998,"d":"547.1668"},null,null,12.5,"19_111","CC1(C(O[B-]2(C3=CN=C(C4=CC=CC=C34)NC5=CC=C(S(NC(C)=O)(=O)=O)C=C5)OC(C(C)([N+]12C)C)=O)=O)C",{"v":552.1850006679999,"d":"552.1850"},{"v":553.192600668,"d":"553.1926"},null,null,6.25,"20_111","CC1(C(O[B-]2(C3=CC=C(C(C(F)(F)F)=C3)NC4=CC=C(S(NC(C)=O)(=O)=O)C=C4)OC(C(C)([N+]12C)C)=O)=O)C",{"v":569.1614862639999,"d":"569.1615"},{"v":570.1690862639999,"d":"570.1691"},null,null,12.5]
[112,"2-Methoxy-4-morpholinoaniline","COc1cc(ccc1N)N1CCOCC1","Cluster 013",208.1212,"1_112","COC1=CC(=CC=C1NC1=NC=C(C=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":497.2445641439999,"d":"497.2446"},{"v":498.25216414399995,"d":"498.2522"},0.62,25,12.5,"14_112","COC1=CC(=CC=C1NC1=CC=C(C(F)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":514.239893364,"d":"514.2399"},{"v":515.247493364,"d":"515.2475"},0.76,25,12.5,"15_112","COC1=CC(=CC=C1NC1=CC(=CC(=C1)C#N)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":520.249315176,"d":"520.2493"},{"v":521.256915176,"d":"521.2569"},"no prd",250,12.5,"16_112","COC1=CC(=CC=C1NC1=CC=C(C(OC)=N1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":526.25987986,"d":"526.2599"},{"v":527.26747986,"d":"527.2675"},0.73,25,12.5,"17_112","COC1=CC(=CC=C1NC1=CC=C2OC(=CC2=C1)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":535.248980828,"d":"535.2490"},207.1212,null,null,12.5,"18_112","COC1=CC(=CC=C1NC1=CC=C(C=C1[N+]([O-])=O)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":540.2391444159999,"d":"540.2391"},{"v":541.246744416,"d":"541.2467"},null,null,12.5,"19_112","COC1=CC(=CC=C1NC1=NC=C(C2=CC=CC=C12)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":546.2649652399999,"d":"546.2650"},{"v":547.27256524,"d":"547.2726"},null,null,6.25,"20_112","COC1=CC(=CC=C1NC1=CC=C(C=C1C(F)(F)F)[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2)N1CCOCC1",{"v":563.241450836,"d":"563.2415"},{"v":564.249050836,"d":"564.2491"},null,null,12.5]
[113,"2-(2-Aminophenyl)benzothiazole","Nc1ccccc1-c1nc2ccccc2s1","Cluster 051",226.0565,"1_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)N=C1",{"v":515.1798557120001,"d":"515.1799"},{"v":516.1874557120001,"d":"516.1875"},1.16,25,12.5,"14_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)N=C1F",{"v":532.1751849320001,"d":"532.1752"},{"v":533.1827849320001,"d":"533.1828"},1.27,25,12.5,"15_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)=C1)C#N",{"v":538.1846067440001,"d":"538.1846"},{"v":539.1922067440001,"d":"539.1922"},1.25,250,12.5,"16_113","COC1=NC(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":544.195171428,"d":"544.1952"},{"v":545.202771428,"d":"545.2028"},1.34,25,12.5,"17_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC=CC=C3C3=NC4=CC=CC=C4S3)=CC=C2O1",{"v":553.1842723960001,"d":"553.1843"},225.0565,null,null,12.5,"18_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)C(=C1)[N+]([O-])=O",{"v":558.1744359840001,"d":"558.1744"},{"v":559.1820359840001,"d":"559.1820"},null,null,12.5,"19_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)C2=CC=CC=C12",{"v":564.2002568080001,"d":"564.2003"},{"v":565.2078568080001,"d":"565.2079"},null,null,6.25,"20_113","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)C(=C1)C(F)(F)F",{"v":581.176742404,"d":"581.1767"},{"v":582.1843424040001,"d":"582.1843"},null,null,12.5]
[114,"2'-Deoxycytidine","Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1","Cluster 030",227.0906,"1_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)N=C1",{"v":516.213992288,"d":"516.2140"},{"v":517.221592288,"d":"517.2216"},0.32,25,12.5,"14_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)N=C1F",{"v":533.209321508,"d":"533.2093"},{"v":534.216921508,"d":"534.2169"},0.36,25,12.5,"15_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)=C1)C#N",{"v":539.21874332,"d":"539.2187"},{"v":540.2263433200001,"d":"540.2263"},0.39,250,12.5,"16_114","COC1=NC(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":545.2293080039999,"d":"545.2293"},{"v":546.2369080039999,"d":"546.2369"},0.34,25,12.5,"17_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=NC(=O)N(C=C3)[C@H]3C[C@H](O)[C@@H](CO)O3)=CC=C2O1",{"v":554.2184089719999,"d":"554.2184"},226.0906,null,null,12.5,"18_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)C(=C1)[N+]([O-])=O",{"v":559.20857256,"d":"559.2086"},{"v":560.21617256,"d":"560.2162"},null,null,12.5,"19_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)C2=CC=CC=C12",{"v":565.234393384,"d":"565.2344"},{"v":566.241993384,"d":"566.2420"},null,null,6.25,"20_114","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=O)N(C=C2)[C@H]2C[C@H](O)[C@@H](CO)O2)C(=C1)C(F)(F)F",{"v":582.2108789800001,"d":"582.2109"},{"v":583.2184789800001,"d":"583.2185"},null,null,12.5]
[115,"3,5-Bis(trifluoromethyl)aniline","Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F","Cluster 042",229.0326,"1_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N=C1",{"v":518.156004872,"d":"518.1560"},{"v":519.1636048720001,"d":"519.1636"},1.06,25,12.5,"14_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N=C1F",{"v":535.1513340920001,"d":"535.1513"},{"v":536.1589340920001,"d":"536.1589"},1.11,25,12.5,"15_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=C1)C#N",{"v":541.1607559040001,"d":"541.1608"},{"v":542.1683559040001,"d":"542.1684"},1.1,250,12.5,"16_115","COC1=NC(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":547.171320588,"d":"547.1713"},{"v":548.178920588,"d":"548.1789"},1.15,25,12.5,"17_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)=CC=C2O1",{"v":556.160421556,"d":"556.1604"},228.0326,null,null,12.5,"18_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=C1)[N+]([O-])=O",{"v":561.150585144,"d":"561.1506"},{"v":562.1581851440001,"d":"562.1582"},null,null,12.5,"19_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=CC=CC=C12",{"v":567.1764059679999,"d":"567.1764"},{"v":568.184005968,"d":"568.1840"},null,null,6.25,"20_115","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=C1)C(F)(F)F",{"v":584.152891564,"d":"584.1529"},{"v":585.160491564,"d":"585.1605"},null,null,12.5]
[116,"4-(5,6,7,8-Tetrahydro-naphthalen-2-yl)-thiazol-2-ylamine","Nc1nc(cs1)-c1ccc2CCCCc2c1","Cluster 109",230.0878,"1_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)N=C1",{"v":519.2111558400001,"d":"519.2112"},{"v":520.2187558400001,"d":"520.2188"},1.12,25,12.5,"14_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)N=C1F",{"v":536.2064850600001,"d":"536.2065"},{"v":537.2140850600001,"d":"537.2141"},1.17,25,12.5,"15_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC(=CC(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)=C1)C#N",{"v":542.2159068720001,"d":"542.2159"},{"v":543.2235068720001,"d":"543.2235"},1.22,250,12.5,"16_116","COC1=NC(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)=CC=C1[B-]12OC(=O)C(C)(C)[N+]1(C)C(C)(C)C(=O)O2",{"v":548.226471556,"d":"548.2265"},{"v":549.234071556,"d":"549.2341"},1.15,25,12.5,"17_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC2=CC(NC3=NC(=CS3)C3=CC=C4CCCCC4=C3)=CC=C2O1",{"v":557.2155725240001,"d":"557.2156"},229.0878,null,null,12.5,"18_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)C(=C1)[N+]([O-])=O",{"v":562.2057361120001,"d":"562.2057"},{"v":563.2133361120001,"d":"563.2133"},null,null,12.5,"19_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CN=C(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)C2=CC=CC=C12",{"v":568.2315569360001,"d":"568.2316"},{"v":569.2391569360001,"d":"569.2392"},null,null,6.25,"20_116","CC1(C)C(=O)O[B-]2(OC(=O)C(C)(C)[N+]12C)C1=CC=C(NC2=NC(=CS2)C2=CC=C3CCCCC3=C2)C(=C1)C(F)(F)F",{"v":585.208042532,"d":"585.2080"},{"v":586.2156425320001,"d":"586.2156"},null,null,12.5]