OPReactantPairId: 2641, ReactionConditionsId: 1

NumPos: 1, numNeg: 3

Pos data

OrbPairId : 2380, Prediction : -3.703710

Neg data

OrbPairId : 4359439, Prediction : -2.848085

OrbPairId : 4359336, Prediction : -0.492116

OrbPairId : 4358440, Prediction : -0.503269

OPReactantPairId: 1511, ReactionConditionsId: 2

NumPos: 2, numNeg: 6

Pos data

OrbPairId : 2683, Prediction : -22.723072

OrbPairId : 2684, Prediction : -22.405676

Neg data

OrbPairId : 9017113, Prediction : -21.020923

OrbPairId : 9016708, Prediction : -19.821675

OrbPairId : 8986767, Prediction : -21.677047

OrbPairId : 8980530, Prediction : -22.639400

OrbPairId : 8969770, Prediction : -22.639517

OrbPairId : 8962829, Prediction : -22.036049

OPReactantPairId: 1688, ReactionConditionsId: 2

NumPos: 2, numNeg: 38

Pos data

OrbPairId : 2707, Prediction : -24.716788

OrbPairId : 2706, Prediction : -27.325422

Neg data

OrbPairId : 819906, Prediction : -26.805028

OrbPairId : 785391, Prediction : -24.712595

OrbPairId : 782813, Prediction : -26.908417

OrbPairId : 775818, Prediction : -23.383202

OrbPairId : 775773, Prediction : -26.584644

OrbPairId : 773329, Prediction : -25.843223

OrbPairId : 771955, Prediction : -24.895885

OrbPairId : 770547, Prediction : -26.595362

OrbPairId : 781687, Prediction : -25.936678

OrbPairId : 723524, Prediction : -27.058407

OrbPairId : 721912, Prediction : -26.156486

OrbPairId : 719866, Prediction : -25.411320

OrbPairId : 715946, Prediction : -26.674627

OrbPairId : 725824, Prediction : -24.752394

OrbPairId : 673158, Prediction : -26.275361

OrbPairId : 656765, Prediction : -24.381958

OrbPairId : 655527, Prediction : -23.351159

OrbPairId : 666137, Prediction : -24.967581

OrbPairId : 663412, Prediction : -27.200611

OrbPairId : 662117, Prediction : -26.245637

OrbPairId : 659860, Prediction : -21.780057

OrbPairId : 659802, Prediction : -27.141574

OrbPairId : 624612, Prediction : -21.594934

OrbPairId : 621953, Prediction : -22.409546

OrbPairId : 621023, Prediction : -20.746288

OrbPairId : 620970, Prediction : -26.492738

OrbPairId : 619649, Prediction : -19.187643

OrbPairId : 613682, Prediction : -21.014739

OrbPairId : 610792, Prediction : -21.905639

OrbPairId : 609857, Prediction : -19.725840

OrbPairId : 609800, Prediction : -25.055051

OrbPairId : 608583, Prediction : -18.687401

OrbPairId : 579802, Prediction : -26.111345

OrbPairId : 495253, Prediction : -22.562753

OrbPairId : 493691, Prediction : -24.051965

OrbPairId : 492937, Prediction : -22.231969

OrbPairId : 492867, Prediction : -27.050984

OrbPairId : 492202, Prediction : -21.020923

OPReactantPairId: 3571, ReactionConditionsId: 1

NumPos: 1, numNeg: 3

Pos data

OrbPairId : 3345, Prediction : -2.396004

Neg data

OrbPairId : 6899222, Prediction : -1.547340

OrbPairId : 6895317, Prediction : -1.972644

OrbPairId : 6895232, Prediction : 0.880591

OPReactantPairId: 1503, ReactionConditionsId: 2

NumPos: 2, numNeg: 11

Pos data

OrbPairId : 2703, Prediction : -29.301649

OrbPairId : 2704, Prediction : -31.798847

Neg data

OrbPairId : 241588, Prediction : -31.365029

OrbPairId : 241544, Prediction : -31.730755

OrbPairId : 240638, Prediction : -29.217732

OrbPairId : 200569, Prediction : -30.937879

OrbPairId : 196560, Prediction : -30.787801

OrbPairId : 196512, Prediction : -31.192992

OrbPairId : 195524, Prediction : -28.721757

OrbPairId : 154656, Prediction : -31.446850

OrbPairId : 15608, Prediction : -29.159618

OrbPairId : 15558, Prediction : -22.945841

OrbPairId : 14999, Prediction : -21.020923

OPReactantPairId: 3608, ReactionConditionsId: 1

NumPos: 1, numNeg: 3

Pos data

OrbPairId : 3386, Prediction : 1.637490

Neg data

OrbPairId : 7034884, Prediction : 2.402511

OrbPairId : 7034803, Prediction : 5.481073

OrbPairId : 7034006, Prediction : 5.480286

OPReactantPairId: 1526, ReactionConditionsId: 2

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 2715, Prediction : -31.362565

Neg data

OrbPairId : 571088, Prediction : -21.020923

OrbPairId : 188514, Prediction : -27.620454

OPReactantPairId: 1476, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 610, Prediction : -22.244349

Neg data

OrbPairId : 906325, Prediction : -18.868523

OrbPairId : 22790, Prediction : -21.708502

OPReactantPairId: 1491, ReactionConditionsId: 2

NumPos: 2, numNeg: 5

Pos data

OrbPairId : 2700, Prediction : -27.364894

OrbPairId : 2699, Prediction : -27.880820

Neg data

OrbPairId : 279503, Prediction : -22.779517

OrbPairId : 279382, Prediction : -23.797340

OrbPairId : 276838, Prediction : -21.792206

OrbPairId : 22813, Prediction : -22.597851

OrbPairId : 21461, Prediction : -21.020923

OPReactantPairId: 2824, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 2095, Prediction : -3.645595

Neg data

OrbPairId : 3958776, Prediction : -1.220238

OrbPairId : 3958698, Prediction : -3.119810

OPReactantPairId: 2779, ReactionConditionsId: 3

NumPos: 1, numNeg: 3

Pos data

OrbPairId : 2044, Prediction : -5.526522

Neg data

OrbPairId : 4517271, Prediction : -3.000700

OrbPairId : 4516046, Prediction : -3.871481

OrbPairId : 4515952, Prediction : -5.208825

OPReactantPairId: 2277, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 1485, Prediction : -16.273145

Neg data

OrbPairId : 2024577, Prediction : -15.174609

OPReactantPairId: 1455, ReactionConditionsId: 2

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 2666, Prediction : -21.378899

Neg data

OrbPairId : 9007760, Prediction : -21.020923

OrbPairId : 8878749, Prediction : -18.165582

OPReactantPairId: 1713, ReactionConditionsId: 1

NumPos: 2, numNeg: 35

Pos data

OrbPairId : 867, Prediction : -29.307247

OrbPairId : 869, Prediction : -31.779783

Neg data

OrbPairId : 1549943, Prediction : -31.214206

OrbPairId : 1566687, Prediction : -21.708502

OrbPairId : 1566206, Prediction : -23.597603

OrbPairId : 1566099, Prediction : -31.667764

OrbPairId : 1562266, Prediction : -25.141208

OrbPairId : 1560629, Prediction : -23.153818

OrbPairId : 1560509, Prediction : -27.941369

OrbPairId : 1558359, Prediction : -28.307534

OrbPairId : 1554081, Prediction : -30.818145

OrbPairId : 1552429, Prediction : -30.338866

OrbPairId : 1313791, Prediction : -27.366290

OrbPairId : 1313642, Prediction : -30.474081

OrbPairId : 1310306, Prediction : -26.182733

OrbPairId : 1310157, Prediction : -29.307804

OrbPairId : 1310031, Prediction : -30.927707

OrbPairId : 1184815, Prediction : -29.386432

OrbPairId : 1184036, Prediction : -27.562341

OrbPairId : 1183889, Prediction : -30.554361

OrbPairId : 1169060, Prediction : -29.241063

OrbPairId : 1168282, Prediction : -27.038454

OrbPairId : 1168163, Prediction : -30.190676

OrbPairId : 1161383, Prediction : -28.876912

OrbPairId : 1157460, Prediction : -27.724941

OrbPairId : 1157310, Prediction : -30.761019

OrbPairId : 1322352, Prediction : -27.648326

OrbPairId : 1321479, Prediction : -25.284474

OrbPairId : 1321335, Prediction : -28.436089

OrbPairId : 1321233, Prediction : -31.619030

OrbPairId : 1228623, Prediction : -31.686190

OrbPairId : 1177289, Prediction : -29.313099

OrbPairId : 1173310, Prediction : -28.178787

OrbPairId : 1173138, Prediction : -31.127870

OrbPairId : 1025341, Prediction : -27.746917

OrbPairId : 1018227, Prediction : -29.421168

OrbPairId : 1015210, Prediction : -28.237542

OPReactantPairId: 2807, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 2073, Prediction : -2.328322

Neg data

OrbPairId : 3873976, Prediction : 0.590826

OrbPairId : 3873738, Prediction : 1.532681

OPReactantPairId: 1497, ReactionConditionsId: 2

NumPos: 1, numNeg: 6

Pos data

OrbPairId : 2701, Prediction : -31.573054

Neg data

OrbPairId : 8962463, Prediction : -21.020923

OrbPairId : 8962009, Prediction : -29.160415

OrbPairId : 8961996, Prediction : -22.971873

OrbPairId : 8899370, Prediction : -27.723261

OrbPairId : 8897730, Prediction : -29.446577

OrbPairId : 8897708, Prediction : -30.299577

OPReactantPairId: 1906, ReactionConditionsId: 1

NumPos: 1, numNeg: 5

Pos data

OrbPairId : 1074, Prediction : -27.672492

Neg data

OrbPairId : 1964764, Prediction : -21.708502

OrbPairId : 1299286, Prediction : -25.475500

OrbPairId : 1153438, Prediction : -23.092919

OrbPairId : 1102980, Prediction : -25.020764

OrbPairId : 1086908, Prediction : -23.990553

OPReactantPairId: 3233, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 2963, Prediction : -13.391071

Neg data

OrbPairId : 5353663, Prediction : -7.617009

OrbPairId : 5353525, Prediction : -9.802563

OPReactantPairId: 1489, ReactionConditionsId: 1

NumPos: 1, numNeg: 31

Pos data

OrbPairId : 625, Prediction : -30.664574

Neg data

OrbPairId : 306199, Prediction : -20.599181

OrbPairId : 306089, Prediction : -24.607663

OrbPairId : 305986, Prediction : -30.469609

OrbPairId : 303182, Prediction : -25.169283

OrbPairId : 303056, Prediction : -29.564922

OrbPairId : 343153, Prediction : -21.708502

OrbPairId : 343089, Prediction : -25.265474

OrbPairId : 341731, Prediction : -26.736027

OrbPairId : 339221, Prediction : -30.584256

OrbPairId : 283101, Prediction : -20.557489

OrbPairId : 283008, Prediction : -24.530060

OrbPairId : 282904, Prediction : -30.364316

OrbPairId : 279794, Prediction : -25.089234

OrbPairId : 279670, Prediction : -29.821049

OrbPairId : 260338, Prediction : -29.973924

OrbPairId : 253610, Prediction : -15.991415

OrbPairId : 253529, Prediction : -21.876988

OrbPairId : 251016, Prediction : -21.359297

OrbPairId : 250508, Prediction : -29.477872

OrbPairId : 110559, Prediction : -25.864028

OrbPairId : 110464, Prediction : -26.446108

OrbPairId : 107794, Prediction : -28.373608

OrbPairId : 177704, Prediction : -26.316324

OrbPairId : 177611, Prediction : -26.890384

OrbPairId : 175246, Prediction : -28.733566

OrbPairId : 104072, Prediction : -23.816112

OrbPairId : 103989, Prediction : -23.981827

OrbPairId : 101107, Prediction : -26.282772

OrbPairId : 29141, Prediction : -23.987137

OrbPairId : 29038, Prediction : -24.163560

OrbPairId : 25780, Prediction : -26.454057

OPReactantPairId: 1383, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 512, Prediction : 13.374149

Neg data

OrbPairId : 30759, Prediction : 13.734805

OPReactantPairId: 3720, ReactionConditionsId: 2

NumPos: 1, numNeg: 20

Pos data

OrbPairId : 3523, Prediction : -24.752044

Neg data

OrbPairId : 7661524, Prediction : -18.744941

OrbPairId : 7657089, Prediction : -20.162813

OrbPairId : 7652685, Prediction : -20.698658

OrbPairId : 7626745, Prediction : -10.676100

OrbPairId : 7618745, Prediction : -9.697951

OrbPairId : 7604547, Prediction : -11.418685

OrbPairId : 7599846, Prediction : -10.244618

OrbPairId : 7595171, Prediction : -12.940943

OrbPairId : 7580469, Prediction : -11.426849

OrbPairId : 7575353, Prediction : -11.105564

OrbPairId : 7547676, Prediction : -9.605915

OrbPairId : 7507900, Prediction : -11.499893

OrbPairId : 7570374, Prediction : -7.838727

OrbPairId : 7490378, Prediction : -7.695813

OrbPairId : 7422731, Prediction : -23.147174

OrbPairId : 7525254, Prediction : -13.394516

OrbPairId : 7519644, Prediction : -6.984046

OrbPairId : 7513814, Prediction : -6.989496

OrbPairId : 7513736, Prediction : -24.644239

OrbPairId : 7542386, Prediction : -12.901202

OPReactantPairId: 1596, ReactionConditionsId: 2

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 2680, Prediction : -21.577213

Neg data

OrbPairId : 1510302, Prediction : -21.020923

OPReactantPairId: 3166, ReactionConditionsId: 2

NumPos: 2, numNeg: 5

Pos data

OrbPairId : 2750, Prediction : 16.258024

OrbPairId : 2751, Prediction : 12.121123

Neg data

OrbPairId : 5523759, Prediction : 12.848208

OrbPairId : 5280240, Prediction : 13.072217

OrbPairId : 5167779, Prediction : 14.157802

OrbPairId : 5036543, Prediction : 13.966423

OrbPairId : 4988601, Prediction : 12.707453

OPReactantPairId: 1706, ReactionConditionsId: 2

NumPos: 1, numNeg: 31

Pos data

OrbPairId : 2710, Prediction : -32.492475

Neg data

OrbPairId : 1434771, Prediction : -30.017282

OrbPairId : 1434610, Prediction : -32.368048

OrbPairId : 1422077, Prediction : -26.170092

OrbPairId : 1421908, Prediction : -28.656948

OrbPairId : 1418044, Prediction : -19.500016

OrbPairId : 1307155, Prediction : -30.911339

OrbPairId : 1275379, Prediction : -30.299059

OrbPairId : 1275207, Prediction : -32.417337

OrbPairId : 1264359, Prediction : -29.608349

OrbPairId : 1264159, Prediction : -31.800403

OrbPairId : 1260021, Prediction : -25.282957

OrbPairId : 1259106, Prediction : -28.187252

OrbPairId : 1258963, Prediction : -30.420841

OrbPairId : 1248314, Prediction : -27.793995

OrbPairId : 1248171, Prediction : -30.112808

OrbPairId : 1244864, Prediction : -23.304300

OrbPairId : 1104677, Prediction : -27.681366

OrbPairId : 1104524, Prediction : -29.926230

OrbPairId : 1092786, Prediction : -27.346108

OrbPairId : 1092620, Prediction : -29.678889

OrbPairId : 1089022, Prediction : -22.897388

OrbPairId : 986580, Prediction : -29.333072

OrbPairId : 986411, Prediction : -31.540826

OrbPairId : 982718, Prediction : -24.961225

OrbPairId : 996120, Prediction : -29.971997

OrbPairId : 995963, Prediction : -32.106756

OrbPairId : 570121, Prediction : -31.440014

OrbPairId : 565209, Prediction : -27.702937

OrbPairId : 563848, Prediction : -21.020923

OrbPairId : 556565, Prediction : -31.903726

OrbPairId : 556478, Prediction : -32.237208

OPReactantPairId: 2406, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 1629, Prediction : 9.082526

Neg data

OrbPairId : 2561539, Prediction : 9.280894

OPReactantPairId: 3712, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 3508, Prediction : -8.699832

Neg data

OrbPairId : 8032685, Prediction : 4.043628

OPReactantPairId: 1476, ReactionConditionsId: 2

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 2690, Prediction : -21.575058

Neg data

OrbPairId : 8980099, Prediction : -18.109783

OrbPairId : 8837880, Prediction : -21.020923

OPReactantPairId: 1497, ReactionConditionsId: 1

NumPos: 1, numNeg: 6

Pos data

OrbPairId : 635, Prediction : -32.079349

Neg data

OrbPairId : 747943, Prediction : -21.708502

OrbPairId : 742726, Prediction : -29.699203

OrbPairId : 742600, Prediction : -23.698447

OrbPairId : 262451, Prediction : -28.406346

OrbPairId : 253243, Prediction : -30.195450

OrbPairId : 253123, Prediction : -31.040365

OPReactantPairId: 1541, ReactionConditionsId: 2

NumPos: 1, numNeg: 15

Pos data

OrbPairId : 2676, Prediction : -30.779430

Neg data

OrbPairId : 1212488, Prediction : -28.463612

OrbPairId : 1030335, Prediction : -29.838944

OrbPairId : 973707, Prediction : -25.724103

OrbPairId : 936892, Prediction : -28.772984

OrbPairId : 785736, Prediction : -27.476531

OrbPairId : 726692, Prediction : -24.305562

OrbPairId : 707214, Prediction : -23.244592

OrbPairId : 612372, Prediction : -29.245515

OrbPairId : 594951, Prediction : -23.304521

OrbPairId : 525370, Prediction : -22.348209

OrbPairId : 456696, Prediction : -28.920274

OrbPairId : 421299, Prediction : -24.884810

OrbPairId : 386575, Prediction : -29.311671

OrbPairId : 281937, Prediction : -28.994252

OrbPairId : 146184, Prediction : -21.020923

OPReactantPairId: 3714, ReactionConditionsId: 2

NumPos: 2, numNeg: 22

Pos data

OrbPairId : 3511, Prediction : -23.912703

OrbPairId : 3510, Prediction : -25.275584

Neg data

OrbPairId : 7550247, Prediction : -18.549857

OrbPairId : 7545935, Prediction : -24.337231

OrbPairId : 7541590, Prediction : -18.746288

OrbPairId : 7562826, Prediction : -14.051042

OrbPairId : 7514051, Prediction : -20.988163

OrbPairId : 7508984, Prediction : -15.564034

OrbPairId : 7518759, Prediction : -18.799020

OrbPairId : 7469731, Prediction : -7.492863

OrbPairId : 7465243, Prediction : -8.527798

OrbPairId : 7460695, Prediction : -17.907726

OrbPairId : 7495554, Prediction : -17.475372

OrbPairId : 7491299, Prediction : -14.847636

OrbPairId : 7486999, Prediction : -13.603029

OrbPairId : 7446454, Prediction : -14.972352

OrbPairId : 7416325, Prediction : -11.117169

OrbPairId : 7400947, Prediction : -17.410632

OrbPairId : 7426553, Prediction : -6.531614

OrbPairId : 7421482, Prediction : -4.992439

OrbPairId : 7390551, Prediction : -13.792762

OrbPairId : 7373100, Prediction : -8.832257

OrbPairId : 7367620, Prediction : -7.823510

OrbPairId : 7362262, Prediction : -11.428218

OPReactantPairId: 1499, ReactionConditionsId: 1

NumPos: 1, numNeg: 10

Pos data

OrbPairId : 637, Prediction : -35.290766

Neg data

OrbPairId : 581825, Prediction : -33.464935

OrbPairId : 475303, Prediction : -35.069852

OrbPairId : 28465, Prediction : -33.854878

OrbPairId : 23223, Prediction : -30.017510

OrbPairId : 23086, Prediction : -24.039677

OrbPairId : 21647, Prediction : -21.708502

OrbPairId : 15240, Prediction : -35.110964

OrbPairId : 15095, Prediction : -34.517263

OrbPairId : 13575, Prediction : -32.221657

OrbPairId : 13461, Prediction : -32.588125

OPReactantPairId: 1513, ReactionConditionsId: 1

NumPos: 2, numNeg: 3

Pos data

OrbPairId : 656, Prediction : -26.560556

OrbPairId : 654, Prediction : -28.008143

Neg data

OrbPairId : 344325, Prediction : -21.708502

OrbPairId : 281070, Prediction : -13.887872

OrbPairId : 289127, Prediction : -21.634544

OPReactantPairId: 1516, ReactionConditionsId: 1

NumPos: 1, numNeg: 3

Pos data

OrbPairId : 658, Prediction : -30.680555

Neg data

OrbPairId : 339708, Prediction : -21.708502

OrbPairId : 274421, Prediction : -27.428426

OrbPairId : 267247, Prediction : -13.905925

OPReactantPairId: 1472, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 606, Prediction : -1.056957

Neg data

OrbPairId : 194232, Prediction : -0.859534

OPReactantPairId: 3703, ReactionConditionsId: 2

NumPos: 2, numNeg: 22

Pos data

OrbPairId : 3495, Prediction : -26.138191

OrbPairId : 3496, Prediction : -26.257740

Neg data

OrbPairId : 7694609, Prediction : -20.299421

OrbPairId : 7688810, Prediction : -16.671630

OrbPairId : 7665830, Prediction : -11.390881

OrbPairId : 7705669, Prediction : -18.762209

OrbPairId : 7654740, Prediction : -9.236512

OrbPairId : 7683058, Prediction : -11.493333

OrbPairId : 7603125, Prediction : -11.441744

OrbPairId : 7596214, Prediction : -10.547010

OrbPairId : 7589502, Prediction : -7.865601

OrbPairId : 7525633, Prediction : -12.891428

OrbPairId : 7517855, Prediction : -7.592798

OrbPairId : 7492571, Prediction : -5.325492

OrbPairId : 7492403, Prediction : -25.700533

OrbPairId : 7474689, Prediction : -4.792448

OrbPairId : 7474529, Prediction : -24.541141

OrbPairId : 7509659, Prediction : -7.734738

OrbPairId : 7403100, Prediction : -9.702165

OrbPairId : 7391123, Prediction : -7.200647

OrbPairId : 7390960, Prediction : -26.217999

OrbPairId : 7365641, Prediction : -2.077492

OrbPairId : 7365454, Prediction : -20.253974

OrbPairId : 7414340, Prediction : -18.189763

OPReactantPairId: 1713, ReactionConditionsId: 2

NumPos: 2, numNeg: 24

Pos data

OrbPairId : 2711, Prediction : -28.741012

OrbPairId : 2712, Prediction : -31.292775

Neg data

OrbPairId : 8978304, Prediction : -21.020923

OrbPairId : 8978256, Prediction : -31.071124

OrbPairId : 8977785, Prediction : -27.378740

OrbPairId : 8952433, Prediction : -29.374923

OrbPairId : 8951983, Prediction : -23.611022

OrbPairId : 8951859, Prediction : -28.207899

OrbPairId : 8951842, Prediction : -30.448979

OrbPairId : 8950575, Prediction : -27.789988

OrbPairId : 8950560, Prediction : -30.113436

OrbPairId : 8958396, Prediction : -27.060206

OrbPairId : 8958294, Prediction : -31.114273

OrbPairId : 8953669, Prediction : -25.369544

OrbPairId : 8953560, Prediction : -30.004054

OrbPairId : 8943478, Prediction : -28.829507

OrbPairId : 8941744, Prediction : -28.666379

OrbPairId : 8957207, Prediction : -30.472267

OrbPairId : 8934897, Prediction : -23.500171

OrbPairId : 8934781, Prediction : -27.916091

OrbPairId : 8934764, Prediction : -30.158256

OrbPairId : 8933601, Prediction : -27.580340

OrbPairId : 8933589, Prediction : -29.904381

OrbPairId : 8921057, Prediction : -29.315569

OrbPairId : 8922468, Prediction : -25.240779

OrbPairId : 8922323, Prediction : -29.982547

OPReactantPairId: 3142, ReactionConditionsId: 2

NumPos: 1, numNeg: 5

Pos data

OrbPairId : 2697, Prediction : -34.706769

Neg data

OrbPairId : 5030306, Prediction : -32.774771

OrbPairId : 4986593, Prediction : -34.422970

OrbPairId : 4863970, Prediction : -21.020923

OrbPairId : 4860787, Prediction : -31.903726

OrbPairId : 4860734, Prediction : -32.237208

OPReactantPairId: 1906, ReactionConditionsId: 2

NumPos: 1, numNeg: 6

Pos data

OrbPairId : 2669, Prediction : -27.140826

Neg data

OrbPairId : 1377976, Prediction : -21.020923

OrbPairId : 1152300, Prediction : -24.849066

OrbPairId : 1146501, Prediction : -24.290422

OrbPairId : 1094954, Prediction : -22.428403

OrbPairId : 1073655, Prediction : -24.389795

OrbPairId : 1067411, Prediction : -23.337833

OPReactantPairId: 1455, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 586, Prediction : -22.058980

Neg data

OrbPairId : 1284594, Prediction : -21.708502

OrbPairId : 133378, Prediction : -18.915422

OPReactantPairId: 1524, ReactionConditionsId: 1

NumPos: 2, numNeg: 2

Pos data

OrbPairId : 668, Prediction : -27.708606

OrbPairId : 667, Prediction : -28.441599

Neg data

OrbPairId : 183186, Prediction : -22.414319

OrbPairId : 78641, Prediction : -21.708502

OPReactantPairId: 2641, ReactionConditionsId: 3

NumPos: 1, numNeg: 3

Pos data

OrbPairId : 1889, Prediction : -4.748589

Neg data

OrbPairId : 4359438, Prediction : -4.234237

OrbPairId : 4359335, Prediction : -2.361914

OrbPairId : 4358439, Prediction : -2.374087

OPReactantPairId: 2920, ReactionConditionsId: 3

NumPos: 1, numNeg: 333

Pos data

OrbPairId : 2199, Prediction : -45.532138

Neg data

OrbPairId : 6294842, Prediction : -41.972208

OrbPairId : 6294739, Prediction : -44.462644

OrbPairId : 6294655, Prediction : -41.304163

OrbPairId : 6294565, Prediction : -43.103586

OrbPairId : 6293649, Prediction : -43.467050

OrbPairId : 6293357, Prediction : -44.654611

OrbPairId : 6293159, Prediction : -33.163246

OrbPairId : 6293053, Prediction : -39.503794

OrbPairId : 6292931, Prediction : -42.055535

OrbPairId : 6292665, Prediction : -39.727909

OrbPairId : 6289861, Prediction : -45.516951

OrbPairId : 6288174, Prediction : -44.789826

OrbPairId : 6287218, Prediction : -44.219448

OrbPairId : 6286155, Prediction : -41.310869

OrbPairId : 6280753, Prediction : -41.023317

OrbPairId : 6277881, Prediction : -44.326472

OrbPairId : 6277384, Prediction : -44.722383

OrbPairId : 6259723, Prediction : -36.476625

OrbPairId : 6259623, Prediction : -38.456479

OrbPairId : 6259545, Prediction : -35.597406

OrbPairId : 6258609, Prediction : -37.675636

OrbPairId : 6258512, Prediction : -39.610818

OrbPairId : 6257299, Prediction : -35.940347

OrbPairId : 6257205, Prediction : -37.680483

OrbPairId : 6256391, Prediction : -44.419099

OrbPairId : 6256006, Prediction : -42.900933

OrbPairId : 6255926, Prediction : -44.567802

OrbPairId : 6255598, Prediction : -43.682029

OrbPairId : 6255507, Prediction : -41.819943

OrbPairId : 6254884, Prediction : -41.505869

OrbPairId : 6253338, Prediction : -40.777508

OrbPairId : 6253237, Prediction : -42.247767

OrbPairId : 6252374, Prediction : -40.229212

OrbPairId : 6252271, Prediction : -41.892860

OrbPairId : 6251422, Prediction : -35.872664

OrbPairId : 6246348, Prediction : -36.624010

OrbPairId : 6244205, Prediction : -44.231857

OrbPairId : 6243507, Prediction : -40.342972

OrbPairId : 6242997, Prediction : -40.729923

OrbPairId : 6167654, Prediction : -36.201863

OrbPairId : 6167570, Prediction : -39.611600

OrbPairId : 6167493, Prediction : -35.792961

OrbPairId : 6167415, Prediction : -37.719121

OrbPairId : 6166762, Prediction : -39.974822

OrbPairId : 6166686, Prediction : -31.078113

OrbPairId : 6166426, Prediction : -35.925982

OrbPairId : 6166321, Prediction : -15.972163

OrbPairId : 6166234, Prediction : -29.153592

OrbPairId : 6166138, Prediction : -32.907877

OrbPairId : 6165915, Prediction : -25.576394

OrbPairId : 6258256, Prediction : -40.678818

OrbPairId : 6258112, Prediction : -42.207282

OrbPairId : 6257996, Prediction : -29.073547

OrbPairId : 6257898, Prediction : -31.228531

OrbPairId : 6257783, Prediction : -35.168957

OrbPairId : 6257678, Prediction : -37.042136

OrbPairId : 6164992, Prediction : -38.613058

OrbPairId : 6164907, Prediction : -42.182465

OrbPairId : 6164628, Prediction : -37.128540

OrbPairId : 6164544, Prediction : -41.418806

OrbPairId : 6164154, Prediction : -44.949983

OrbPairId : 6163977, Prediction : -41.872330

OrbPairId : 6163885, Prediction : -43.624849

OrbPairId : 6163016, Prediction : -39.186699

OrbPairId : 6162918, Prediction : -41.087290

OrbPairId : 6161551, Prediction : -40.376600

OrbPairId : 6161449, Prediction : -43.144205

OrbPairId : 6160668, Prediction : -37.981149

OrbPairId : 6160577, Prediction : -41.032433

OrbPairId : 6159749, Prediction : -38.178356

OrbPairId : 6154949, Prediction : -35.136455

OrbPairId : 6116672, Prediction : -42.462223

OrbPairId : 6116502, Prediction : -41.866979

OrbPairId : 6116408, Prediction : -43.709689

OrbPairId : 6115740, Prediction : -45.062397

OrbPairId : 6115659, Prediction : -41.220799

OrbPairId : 6115477, Prediction : -44.715788

OrbPairId : 6115255, Prediction : -31.652626

OrbPairId : 6115147, Prediction : -39.445210

OrbPairId : 6114953, Prediction : -38.918227

OrbPairId : 6110818, Prediction : -45.269448

OrbPairId : 6109872, Prediction : -44.489640

OrbPairId : 6108934, Prediction : -42.066719

OrbPairId : 6104129, Prediction : -41.391393

OrbPairId : 6101263, Prediction : -44.950393

OrbPairId : 6100744, Prediction : -45.185979

OrbPairId : 6065168, Prediction : -42.990268

OrbPairId : 6152790, Prediction : -39.366128

OrbPairId : 6152178, Prediction : -42.064768

OrbPairId : 6152080, Prediction : -41.865306

OrbPairId : 6151546, Prediction : -40.201448

OrbPairId : 6131516, Prediction : -43.797930

OrbPairId : 6131418, Prediction : -42.720557

OrbPairId : 5934771, Prediction : -28.459235

OrbPairId : 5934687, Prediction : -31.029968

OrbPairId : 5934616, Prediction : -27.490353

OrbPairId : 5933978, Prediction : -31.534508

OrbPairId : 5933903, Prediction : -32.927507

OrbPairId : 5933833, Prediction : -22.819223

OrbPairId : 5933767, Prediction : -24.937401

OrbPairId : 5933561, Prediction : -30.182777

OrbPairId : 5933464, Prediction : -32.696058

OrbPairId : 5933367, Prediction : -10.330614

OrbPairId : 5933272, Prediction : -12.560319

OrbPairId : 5933191, Prediction : -22.971374

OrbPairId : 5933098, Prediction : -25.618998

OrbPairId : 5932868, Prediction : -20.007814

OrbPairId : 5932788, Prediction : -22.341770

OrbPairId : 5932395, Prediction : -37.735921

OrbPairId : 5932326, Prediction : -39.799606

OrbPairId : 5932093, Prediction : -30.779987

OrbPairId : 5932020, Prediction : -32.581641

OrbPairId : 5931770, Prediction : -29.294101

OrbPairId : 5931694, Prediction : -31.747329

OrbPairId : 5931550, Prediction : -43.984714

OrbPairId : 5931470, Prediction : -37.090006

OrbPairId : 5931392, Prediction : -36.567264

OrbPairId : 5930816, Prediction : -33.717234

OrbPairId : 5929471, Prediction : -34.981916

OrbPairId : 5929381, Prediction : -37.196842

OrbPairId : 5928639, Prediction : -32.393342

OrbPairId : 5928546, Prediction : -34.810226

OrbPairId : 5927753, Prediction : -30.707232

OrbPairId : 5923859, Prediction : -37.890425

OrbPairId : 5923777, Prediction : -29.074998

OrbPairId : 5922345, Prediction : -42.844769

OrbPairId : 5922077, Prediction : -42.406584

OrbPairId : 5921810, Prediction : -31.018958

OrbPairId : 5921480, Prediction : -40.600244

OrbPairId : 5921275, Prediction : -34.375909

OrbPairId : 5921185, Prediction : -36.751367

OrbPairId : 5920717, Prediction : -34.830359

OrbPairId : 5918336, Prediction : -37.556904

OrbPairId : 5918251, Prediction : -38.190191

OrbPairId : 5918169, Prediction : -36.622895

OrbPairId : 5918083, Prediction : -38.282346

OrbPairId : 5916660, Prediction : -42.893685

OrbPairId : 5916572, Prediction : -43.421743

OrbPairId : 5916336, Prediction : -43.074933

OrbPairId : 5916252, Prediction : -43.589693

OrbPairId : 5915976, Prediction : -41.666167

OrbPairId : 5915888, Prediction : -43.060736

OrbPairId : 5915733, Prediction : -42.329664

OrbPairId : 5915649, Prediction : -41.127995

OrbPairId : 5907301, Prediction : -44.463457

OrbPairId : 5905192, Prediction : -42.758623

OrbPairId : 5904711, Prediction : -43.885430

OrbPairId : 5902608, Prediction : -36.370407

OrbPairId : 5902533, Prediction : -38.556753

OrbPairId : 5902461, Prediction : -35.683555

OrbPairId : 5900041, Prediction : -44.045284

OrbPairId : 5899657, Prediction : -41.560559

OrbPairId : 5899340, Prediction : -40.025589

OrbPairId : 5899255, Prediction : -42.289823

OrbPairId : 5899001, Prediction : -42.345829

OrbPairId : 5898912, Prediction : -42.164205

OrbPairId : 5898367, Prediction : -41.390254

OrbPairId : 5897372, Prediction : -41.012351

OrbPairId : 5897278, Prediction : -42.562711

OrbPairId : 5896535, Prediction : -40.006363

OrbPairId : 5896436, Prediction : -42.531980

OrbPairId : 5895622, Prediction : -36.385994

OrbPairId : 5891009, Prediction : -45.159622

OrbPairId : 5890909, Prediction : -36.558732

OrbPairId : 5888925, Prediction : -41.774300

OrbPairId : 5888359, Prediction : -43.692590

OrbPairId : 5888272, Prediction : -40.936470

OrbPairId : 5887767, Prediction : -40.962312

OrbPairId : 5901820, Prediction : -38.147855

OrbPairId : 5901730, Prediction : -40.238813

OrbPairId : 5901646, Prediction : -33.951996

OrbPairId : 5901561, Prediction : -36.222602

OrbPairId : 5901331, Prediction : -39.995037

OrbPairId : 5901239, Prediction : -41.731109

OrbPairId : 5901134, Prediction : -25.147267

OrbPairId : 5901032, Prediction : -27.600841

OrbPairId : 5900940, Prediction : -34.164342

OrbPairId : 5900849, Prediction : -36.277809

OrbPairId : 5900599, Prediction : -33.502875

OrbPairId : 5900504, Prediction : -35.508171

OrbPairId : 4854940, Prediction : -35.153860

OrbPairId : 4854843, Prediction : -34.519893

OrbPairId : 4854300, Prediction : -37.874236

OrbPairId : 4854188, Prediction : -31.053614

OrbPairId : 4853967, Prediction : -37.625965

OrbPairId : 4853822, Prediction : -19.108983

OrbPairId : 4853692, Prediction : -31.156391

OrbPairId : 4853451, Prediction : -29.467847

OrbPairId : 4853054, Prediction : -44.366349

OrbPairId : 4852820, Prediction : -39.058185

OrbPairId : 4852593, Prediction : -37.051132

OrbPairId : 4852242, Prediction : -42.256661

OrbPairId : 4852124, Prediction : -41.516278

OrbPairId : 4851509, Prediction : -40.224776

OrbPairId : 4850378, Prediction : -40.227017

OrbPairId : 4849707, Prediction : -38.372730

OrbPairId : 4848314, Prediction : -38.320233

OrbPairId : 4847820, Prediction : -36.176956

OrbPairId : 4847702, Prediction : -40.035974

OrbPairId : 4840566, Prediction : -41.922072

OrbPairId : 4836930, Prediction : -44.399296

OrbPairId : 4836796, Prediction : -35.091576

OrbPairId : 4832956, Prediction : -39.715220

OrbPairId : 4831821, Prediction : -41.844879

OrbPairId : 4831696, Prediction : -44.042318

OrbPairId : 4831588, Prediction : -40.815415

OrbPairId : 4831450, Prediction : -43.240497

OrbPairId : 4830356, Prediction : -40.110681

OrbPairId : 4830227, Prediction : -42.752500

OrbPairId : 4812675, Prediction : -45.525207

OrbPairId : 4811434, Prediction : -45.030636

OrbPairId : 4811234, Prediction : -43.025992

OrbPairId : 4810636, Prediction : -41.414042

OrbPairId : 4810435, Prediction : -36.797622

OrbPairId : 4810048, Prediction : -40.939925

OrbPairId : 4809954, Prediction : -43.647311

OrbPairId : 4809845, Prediction : -34.018737

OrbPairId : 4806391, Prediction : -33.578039

OrbPairId : 4805997, Prediction : -38.436875

OrbPairId : 4805165, Prediction : -40.561384

OrbPairId : 4805055, Prediction : -32.180783

OrbPairId : 4804965, Prediction : -40.117658

OrbPairId : 4804840, Prediction : -42.612487

OrbPairId : 4803877, Prediction : -39.116677

OrbPairId : 4803740, Prediction : -41.749123

OrbPairId : 4800400, Prediction : -32.534120

OrbPairId : 4800280, Prediction : -31.515109

OrbPairId : 4799713, Prediction : -33.725255

OrbPairId : 4799595, Prediction : -29.980145

OrbPairId : 4799370, Prediction : -37.510369

OrbPairId : 4799233, Prediction : -22.106072

OrbPairId : 4799105, Prediction : -31.177693

OrbPairId : 4798879, Prediction : -31.008068

OrbPairId : 4798505, Prediction : -40.498543

OrbPairId : 4798272, Prediction : -38.521952

OrbPairId : 4798039, Prediction : -36.853528

OrbPairId : 4797824, Prediction : -41.335579

OrbPairId : 4797723, Prediction : -38.520348

OrbPairId : 4797602, Prediction : -39.396044

OrbPairId : 4797063, Prediction : -38.701642

OrbPairId : 4796080, Prediction : -38.326443

OrbPairId : 4795498, Prediction : -37.368878

OrbPairId : 4794278, Prediction : -35.015875

OrbPairId : 4793875, Prediction : -32.388872

OrbPairId : 4793751, Prediction : -34.783689

OrbPairId : 4786562, Prediction : -40.075048

OrbPairId : 4785058, Prediction : -43.367043

OrbPairId : 4784008, Prediction : -41.735045

OrbPairId : 4783399, Prediction : -42.295214

OrbPairId : 4782888, Prediction : -42.451113

OrbPairId : 4782679, Prediction : -33.331576

OrbPairId : 4779341, Prediction : -42.107805

OrbPairId : 4779223, Prediction : -28.916135

OrbPairId : 4778868, Prediction : -38.718227

OrbPairId : 4777735, Prediction : -40.127367

OrbPairId : 4777567, Prediction : -29.583964

OrbPairId : 4777463, Prediction : -38.115929

OrbPairId : 4777329, Prediction : -40.100474

OrbPairId : 4776279, Prediction : -38.215732

OrbPairId : 4776137, Prediction : -40.123196

OrbPairId : 4772462, Prediction : -35.158717

OrbPairId : 4772333, Prediction : -34.353315

OrbPairId : 4771742, Prediction : -36.759922

OrbPairId : 4771612, Prediction : -32.658082

OrbPairId : 4771359, Prediction : -39.210818

OrbPairId : 4771182, Prediction : -24.108799

OrbPairId : 4771026, Prediction : -33.168200

OrbPairId : 4770757, Prediction : -32.685590

OrbPairId : 4770298, Prediction : -42.988023

OrbPairId : 4769999, Prediction : -40.643571

OrbPairId : 4769724, Prediction : -38.809801

OrbPairId : 4769467, Prediction : -44.294273

OrbPairId : 4769329, Prediction : -41.134540

OrbPairId : 4769195, Prediction : -41.301809

OrbPairId : 4768487, Prediction : -40.549843

OrbPairId : 4767220, Prediction : -40.179829

OrbPairId : 4739595, Prediction : -43.276881

OrbPairId : 4739480, Prediction : -42.862733

OrbPairId : 4738897, Prediction : -42.293776

OrbPairId : 4737838, Prediction : -41.785396

OrbPairId : 4737119, Prediction : -40.968262

OrbPairId : 4735830, Prediction : -39.384988

OrbPairId : 4735336, Prediction : -36.992840

OrbPairId : 4727354, Prediction : -43.485654

OrbPairId : 4723678, Prediction : -39.201205

OrbPairId : 4723287, Prediction : -41.587818

OrbPairId : 4723057, Prediction : -37.338727

OrbPairId : 4719814, Prediction : -43.320947

OrbPairId : 4719123, Prediction : -45.128836

OrbPairId : 4719007, Prediction : -41.474516

OrbPairId : 4718137, Prediction : -41.689236

OrbPairId : 4826314, Prediction : -34.035585

OrbPairId : 4826214, Prediction : -33.175764

OrbPairId : 4825709, Prediction : -36.739614

OrbPairId : 4825599, Prediction : -29.721682

OrbPairId : 4825409, Prediction : -36.026589

OrbPairId : 4825278, Prediction : -16.601249

OrbPairId : 4825147, Prediction : -29.156143

OrbPairId : 4824913, Prediction : -26.460049

OrbPairId : 4824565, Prediction : -43.036992

OrbPairId : 4824371, Prediction : -38.018157

OrbPairId : 4824160, Prediction : -35.362639

OrbPairId : 4823876, Prediction : -41.479386

OrbPairId : 4823787, Prediction : -40.601704

OrbPairId : 4823277, Prediction : -38.639192

OrbPairId : 4822382, Prediction : -39.259935

OrbPairId : 4821863, Prediction : -37.411866

OrbPairId : 4820763, Prediction : -38.139737

OrbPairId : 4820364, Prediction : -35.316599

OrbPairId : 4820269, Prediction : -38.344732

OrbPairId : 4813940, Prediction : -41.379073

OrbPairId : 4766518, Prediction : -39.176007

OrbPairId : 4764972, Prediction : -37.235523

OrbPairId : 4764378, Prediction : -35.125613

OrbPairId : 4757250, Prediction : -41.875464

OrbPairId : 4753329, Prediction : -44.435033

OrbPairId : 4753178, Prediction : -35.541861

OrbPairId : 4749504, Prediction : -44.658028

OrbPairId : 4749027, Prediction : -40.864927

OrbPairId : 4748049, Prediction : -42.787194

OrbPairId : 4747890, Prediction : -40.064788

OrbPairId : 4746807, Prediction : -40.112403

OrbPairId : 4742287, Prediction : -37.344667

OrbPairId : 4742187, Prediction : -36.474460

OrbPairId : 4741627, Prediction : -39.153561

OrbPairId : 4741514, Prediction : -35.604400

OrbPairId : 4741320, Prediction : -41.201218

OrbPairId : 4741179, Prediction : -27.239684

OrbPairId : 4741046, Prediction : -35.342857

OrbPairId : 4740797, Prediction : -35.231872

OrbPairId : 4740414, Prediction : -45.145573

OrbPairId : 4740182, Prediction : -43.302250

OrbPairId : 4739924, Prediction : -41.471632

OPReactantPairId: 2763, ReactionConditionsId: 1

NumPos: 2, numNeg: 1

Pos data

OrbPairId : 2367, Prediction : -11.539300

OrbPairId : 2366, Prediction : -8.818363

Neg data

OrbPairId : 4106528, Prediction : -10.241666

OPReactantPairId: 3724, ReactionConditionsId: 2

NumPos: 2, numNeg: 47

Pos data

OrbPairId : 3528, Prediction : -20.574103

OrbPairId : 3530, Prediction : -23.819097

Neg data

OrbPairId : 7790852, Prediction : -17.718163

OrbPairId : 7787461, Prediction : -17.774134

OrbPairId : 7784041, Prediction : -18.494070

OrbPairId : 7794352, Prediction : -20.069151

OrbPairId : 7780399, Prediction : -18.428491

OrbPairId : 7776739, Prediction : -17.199530

OrbPairId : 7797874, Prediction : -20.540334

OrbPairId : 7761336, Prediction : -16.084080

OrbPairId : 7753533, Prediction : -4.018426

OrbPairId : 7753490, Prediction : -22.602399

OrbPairId : 7757442, Prediction : -9.974107

OrbPairId : 7733869, Prediction : -18.024471

OrbPairId : 7721820, Prediction : -16.025700

OrbPairId : 7737744, Prediction : -4.776090

OrbPairId : 7717364, Prediction : -5.562036

OrbPairId : 7712793, Prediction : -0.863802

OrbPairId : 7712735, Prediction : -19.597303

OrbPairId : 7693723, Prediction : -9.932154

OrbPairId : 7703253, Prediction : -5.271070

OrbPairId : 7664114, Prediction : -16.733178

OrbPairId : 7658390, Prediction : -4.572130

OrbPairId : 7652545, Prediction : -1.414713

OrbPairId : 7652484, Prediction : -20.099089

OrbPairId : 7602110, Prediction : -16.383582

OrbPairId : 7621988, Prediction : -16.445065

OrbPairId : 7594971, Prediction : -3.568516

OrbPairId : 7594878, Prediction : -22.812243

OrbPairId : 7588217, Prediction : -2.064033

OrbPairId : 7588149, Prediction : -20.740510

OrbPairId : 7634529, Prediction : -3.078801

OrbPairId : 7634446, Prediction : -22.304875

OrbPairId : 7628286, Prediction : -2.135715

OrbPairId : 7628233, Prediction : -20.816526

OrbPairId : 7558331, Prediction : -0.900711

OrbPairId : 7558243, Prediction : -19.555461

OrbPairId : 7550778, Prediction : -16.107829

OrbPairId : 7543377, Prediction : -13.477354

OrbPairId : 7535852, Prediction : -20.970570

OrbPairId : 7520829, Prediction : -19.223708

OrbPairId : 7512357, Prediction : -2.951225

OrbPairId : 7512238, Prediction : -22.395927

OrbPairId : 7495664, Prediction : -4.982392

OrbPairId : 7495576, Prediction : -22.300087

OrbPairId : 7528167, Prediction : -9.848118

OrbPairId : 7486883, Prediction : -5.848699

OrbPairId : 7503953, Prediction : -1.321782

OrbPairId : 7459919, Prediction : -22.903687

OPReactantPairId: 1518, ReactionConditionsId: 1

NumPos: 1, numNeg: 4

Pos data

OrbPairId : 660, Prediction : -30.826378

Neg data

OrbPairId : 286125, Prediction : -14.206854

OrbPairId : 162707, Prediction : -26.448827

OrbPairId : 99515, Prediction : -28.519296

OrbPairId : 43385, Prediction : -21.708502

OPReactantPairId: 1723, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 881, Prediction : -5.160688

Neg data

OrbPairId : 596580, Prediction : -3.752987

OPReactantPairId: 1596, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 745, Prediction : -22.249837

Neg data

OrbPairId : 1420451, Prediction : -21.708502

OPReactantPairId: 1487, ReactionConditionsId: 1

NumPos: 1, numNeg: 28

Pos data

OrbPairId : 623, Prediction : -30.353839

Neg data

OrbPairId : 8901866, Prediction : -22.120248

OrbPairId : 8899208, Prediction : -30.157797

OrbPairId : 8898916, Prediction : -30.134660

OrbPairId : 8898052, Prediction : -26.060605

OrbPairId : 8898039, Prediction : -21.268678

OrbPairId : 8897797, Prediction : -28.992258

OrbPairId : 8897750, Prediction : -20.971033

OrbPairId : 8896803, Prediction : -15.659452

OrbPairId : 8903155, Prediction : -26.392342

OrbPairId : 8903139, Prediction : -28.709010

OrbPairId : 8902691, Prediction : -27.119273

OrbPairId : 8902671, Prediction : -29.665882

OrbPairId : 8889123, Prediction : -28.920934

OrbPairId : 8887950, Prediction : -29.463459

OrbPairId : 8882643, Prediction : -29.632148

OrbPairId : 8874169, Prediction : -27.439928

OrbPairId : 8873642, Prediction : -29.688669

OrbPairId : 8872591, Prediction : -28.145212

OrbPairId : 8851982, Prediction : -28.373384

OrbPairId : 8837617, Prediction : -24.997294

OrbPairId : 8837215, Prediction : -26.633981

OrbPairId : 8836287, Prediction : -21.708502

OrbPairId : 8836266, Prediction : -30.280754

OrbPairId : 8856563, Prediction : -28.892574

OrbPairId : 8854518, Prediction : -29.347834

OrbPairId : 8854484, Prediction : -27.575605

OrbPairId : 8854446, Prediction : -28.573183

OrbPairId : 8853778, Prediction : -29.806633

OPReactantPairId: 3141, ReactionConditionsId: 2

NumPos: 3, numNeg: 4

Pos data

OrbPairId : 2689, Prediction : -29.347299

OrbPairId : 2695, Prediction : -31.277370

OrbPairId : 2693, Prediction : -31.835692

Neg data

OrbPairId : 5097535, Prediction : -21.020923

OrbPairId : 5028889, Prediction : -29.025059

OrbPairId : 4984060, Prediction : -30.761855

OrbPairId : 4979221, Prediction : -28.715041

OPReactantPairId: 3706, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

OrbPairId : 3499, Prediction : -10.123908

Neg data

OrbPairId : 7393520, Prediction : -9.003717

OrbPairId : 7392289, Prediction : -9.900806

OPReactantPairId: 3149, ReactionConditionsId: 2

NumPos: 1, numNeg: 8

Pos data

OrbPairId : 2725, Prediction : -33.117013

Neg data

OrbPairId : 5090793, Prediction : -31.379189

OrbPairId : 5027617, Prediction : -32.626655

OrbPairId : 4877290, Prediction : -31.861844

OrbPairId : 4875654, Prediction : -30.882224

OrbPairId : 4874846, Prediction : -21.020923

OrbPairId : 4872192, Prediction : -32.317854

OrbPairId : 4871251, Prediction : -31.903726

OrbPairId : 4871196, Prediction : -32.237208

OPReactantPairId: 2601, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 1847, Prediction : -6.374121

Neg data

OrbPairId : 3234742, Prediction : -6.031847

OPReactantPairId: 1541, ReactionConditionsId: 1

NumPos: 1, numNeg: 15

Pos data

OrbPairId : 687, Prediction : -31.295325

Neg data

OrbPairId : 1203700, Prediction : -29.045222

OrbPairId : 1022357, Prediction : -30.394456

OrbPairId : 929826, Prediction : -29.299975

OrbPairId : 966969, Prediction : -26.338710

OrbPairId : 779763, Prediction : -28.064039

OrbPairId : 720790, Prediction : -24.938030

OrbPairId : 701172, Prediction : -23.898416

OrbPairId : 607291, Prediction : -29.801767

OrbPairId : 589649, Prediction : -23.957661

OrbPairId : 520390, Prediction : -23.014205

OrbPairId : 416925, Prediction : -25.510886

OrbPairId : 452186, Prediction : -29.445708

OrbPairId : 382778, Prediction : -29.863786

OrbPairId : 278176, Prediction : -29.667115

OrbPairId : 143044, Prediction : -21.708502

OPReactantPairId: 1508, ReactionConditionsId: 2

NumPos: 2, numNeg: 1

Pos data

OrbPairId : 2705, Prediction : -22.723103

OrbPairId : 2708, Prediction : -22.411263

Neg data

OrbPairId : 1387683, Prediction : -21.020923

OPReactantPairId: 2933, ReactionConditionsId: 3

NumPos: 1, numNeg: 212

Pos data

OrbPairId : 2210, Prediction : -45.693256

Neg data

OrbPairId : 4718985, Prediction : -43.064427

OrbPairId : 4718949, Prediction : -45.618466

OrbPairId : 4718854, Prediction : -43.422075

OrbPairId : 4718780, Prediction : -45.462311

OrbPairId : 4718675, Prediction : -33.107370

OrbPairId : 4718631, Prediction : -40.329568

OrbPairId : 4718591, Prediction : -42.977315

OrbPairId : 4718504, Prediction : -39.685473

OrbPairId : 4718075, Prediction : -41.439849

OrbPairId : 4716318, Prediction : -41.131511

OrbPairId : 4715296, Prediction : -44.414602

OrbPairId : 4715102, Prediction : -44.811959

OrbPairId : 4702313, Prediction : -40.329210

OrbPairId : 4697388, Prediction : -43.511377

OrbPairId : 4697274, Prediction : -42.686150

OrbPairId : 4693656, Prediction : -43.574719

OrbPairId : 4693561, Prediction : -44.695378

OrbPairId : 4693519, Prediction : -41.168615

OrbPairId : 4693451, Prediction : -45.536181

OrbPairId : 4693383, Prediction : -31.602570

OrbPairId : 4693351, Prediction : -40.286706

OrbPairId : 4693267, Prediction : -38.891301

OrbPairId : 4692761, Prediction : -42.200488

OrbPairId : 4691125, Prediction : -41.504032

OrbPairId : 4690167, Prediction : -45.040740

OrbPairId : 4689972, Prediction : -45.278643

OrbPairId : 4689359, Prediction : -25.363814

OrbPairId : 4689322, Prediction : -39.787520

OrbPairId : 4689297, Prediction : -43.258016

OrbPairId : 4689251, Prediction : -41.952418

OrbPairId : 4689173, Prediction : -34.515301

OrbPairId : 4689140, Prediction : -39.000728

OrbPairId : 4689063, Prediction : -39.492902

OrbPairId : 4689025, Prediction : -42.776542

OrbPairId : 4688959, Prediction : -18.961606

OrbPairId : 4688919, Prediction : -33.698668

OrbPairId : 4688854, Prediction : -28.825832

OrbPairId : 4688806, Prediction : -32.980355

OrbPairId : 4688641, Prediction : -40.081909

OrbPairId : 4688607, Prediction : -43.893241

OrbPairId : 4688381, Prediction : -40.434892

OrbPairId : 4686785, Prediction : -37.740004

OrbPairId : 4686053, Prediction : -42.768276

OrbPairId : 4685846, Prediction : -44.666178

OrbPairId : 4685807, Prediction : -43.772128

OrbPairId : 4685471, Prediction : -42.480932

OrbPairId : 4684852, Prediction : -38.972652

OrbPairId : 4684822, Prediction : -43.320421

OrbPairId : 4684762, Prediction : -39.571043

OrbPairId : 4684731, Prediction : -42.486088

OrbPairId : 4684701, Prediction : -34.500051

OrbPairId : 4684633, Prediction : -41.398386

OrbPairId : 4684588, Prediction : -24.324442

OrbPairId : 4684552, Prediction : -35.676230

OrbPairId : 4684449, Prediction : -32.999223

OrbPairId : 4684370, Prediction : -43.897201

OrbPairId : 4684292, Prediction : -40.490689

OrbPairId : 4684050, Prediction : -38.302551

OrbPairId : 4682317, Prediction : -37.877595

OrbPairId : 4681576, Prediction : -42.873503

OrbPairId : 4681349, Prediction : -44.633911

OrbPairId : 4681296, Prediction : -42.547791

OrbPairId : 4681109, Prediction : -42.314165

OrbPairId : 4680292, Prediction : -42.947012

OrbPairId : 4667134, Prediction : -43.248646

OrbPairId : 4667055, Prediction : -43.331253

OrbPairId : 4667019, Prediction : -44.659507

OrbPairId : 4666976, Prediction : -42.565577

OrbPairId : 4666853, Prediction : -37.834536

OrbPairId : 4666807, Prediction : -43.178630

OrbPairId : 4666721, Prediction : -42.441002

OrbPairId : 4666305, Prediction : -41.649352

OrbPairId : 4664313, Prediction : -42.235394

OrbPairId : 4710109, Prediction : -41.512758

OrbPairId : 4710063, Prediction : -33.373158

OrbPairId : 4709779, Prediction : -45.499137

OrbPairId : 4709711, Prediction : -38.976097

OrbPairId : 4706897, Prediction : -41.649846

OrbPairId : 4706668, Prediction : -44.177026

OrbPairId : 4705845, Prediction : -37.306652

OrbPairId : 4705811, Prediction : -41.105840

OrbPairId : 4705754, Prediction : -39.523627

OrbPairId : 4705725, Prediction : -30.989597

OrbPairId : 4705636, Prediction : -36.749992

OrbPairId : 4705596, Prediction : -15.928414

OrbPairId : 4705562, Prediction : -30.621763

OrbPairId : 4705530, Prediction : -34.692013

OrbPairId : 4705446, Prediction : -25.609400

OrbPairId : 4705311, Prediction : -43.704133

OrbPairId : 4705261, Prediction : -36.728433

OrbPairId : 4705223, Prediction : -40.864889

OrbPairId : 4705013, Prediction : -38.350593

OrbPairId : 4703435, Prediction : -35.288307

OrbPairId : 4702740, Prediction : -39.530175

OrbPairId : 4702548, Prediction : -42.225348

OrbPairId : 4702505, Prediction : -41.983176

OrbPairId : 4375445, Prediction : -36.066815

OrbPairId : 4375388, Prediction : -37.267886

OrbPairId : 4375346, Prediction : -30.782569

OrbPairId : 4375251, Prediction : -38.280534

OrbPairId : 4375199, Prediction : -18.876709

OrbPairId : 4375137, Prediction : -31.815436

OrbPairId : 4375033, Prediction : -28.865922

OrbPairId : 4374941, Prediction : -41.800699

OrbPairId : 4374894, Prediction : -36.979115

OrbPairId : 4374480, Prediction : -38.320233

OrbPairId : 4374309, Prediction : -36.176956

OrbPairId : 4374259, Prediction : -40.035974

OrbPairId : 4371542, Prediction : -41.922072

OrbPairId : 4370280, Prediction : -44.399296

OrbPairId : 4370242, Prediction : -35.091576

OrbPairId : 4368642, Prediction : -39.715220

OrbPairId : 4368218, Prediction : -41.844879

OrbPairId : 4368177, Prediction : -44.042318

OrbPairId : 4368133, Prediction : -40.815415

OrbPairId : 4368084, Prediction : -43.240497

OrbPairId : 4367688, Prediction : -40.110681

OrbPairId : 4367634, Prediction : -42.752500

OrbPairId : 4366102, Prediction : -34.978590

OrbPairId : 4366043, Prediction : -36.100661

OrbPairId : 4366000, Prediction : -29.438009

OrbPairId : 4365930, Prediction : -36.687900

OrbPairId : 4365887, Prediction : -16.359705

OrbPairId : 4365838, Prediction : -30.286484

OrbPairId : 4365756, Prediction : -26.313236

OrbPairId : 4365653, Prediction : -40.787547

OrbPairId : 4365612, Prediction : -35.840977

OrbPairId : 4365247, Prediction : -38.139737

OrbPairId : 4365104, Prediction : -35.316599

OrbPairId : 4365048, Prediction : -38.344732

OrbPairId : 4357485, Prediction : -38.210513

OrbPairId : 4357434, Prediction : -21.867776

OrbPairId : 4357390, Prediction : -31.764467

OrbPairId : 4357309, Prediction : -30.817061

OrbPairId : 4357212, Prediction : -38.082643

OrbPairId : 4357176, Prediction : -36.244190

OrbPairId : 4356789, Prediction : -35.015875

OrbPairId : 4356628, Prediction : -32.388872

OrbPairId : 4356585, Prediction : -34.783689

OrbPairId : 4353940, Prediction : -40.075048

OrbPairId : 4353422, Prediction : -43.367043

OrbPairId : 4353031, Prediction : -41.735045

OrbPairId : 4352778, Prediction : -42.295214

OrbPairId : 4352561, Prediction : -42.451113

OrbPairId : 4352461, Prediction : -33.331576

OrbPairId : 4351095, Prediction : -42.107805

OrbPairId : 4351047, Prediction : -28.916135

OrbPairId : 4350864, Prediction : -38.718227

OrbPairId : 4350456, Prediction : -40.127367

OrbPairId : 4350404, Prediction : -29.583964

OrbPairId : 4350361, Prediction : -38.115929

OrbPairId : 4350280, Prediction : -40.100474

OrbPairId : 4349847, Prediction : -38.215732

OrbPairId : 4349784, Prediction : -40.123196

OrbPairId : 4348196, Prediction : -36.084564

OrbPairId : 4348108, Prediction : -36.201454

OrbPairId : 4348050, Prediction : -32.424422

OrbPairId : 4347957, Prediction : -39.890271

OrbPairId : 4347899, Prediction : -23.880378

OrbPairId : 4347833, Prediction : -33.850096

OrbPairId : 4347732, Prediction : -32.511891

OrbPairId : 4347625, Prediction : -40.712617

OrbPairId : 4347580, Prediction : -38.499787

OrbPairId : 4347087, Prediction : -37.235523

OrbPairId : 4346898, Prediction : -35.125613

OrbPairId : 4343858, Prediction : -41.875464

OrbPairId : 4342462, Prediction : -44.435033

OrbPairId : 4342407, Prediction : -35.541861

OrbPairId : 4341157, Prediction : -44.658028

OrbPairId : 4340983, Prediction : -40.864927

OrbPairId : 4340670, Prediction : -42.787194

OrbPairId : 4340617, Prediction : -40.064788

OrbPairId : 4340201, Prediction : -40.112403

OrbPairId : 4338415, Prediction : -38.313186

OrbPairId : 4338323, Prediction : -38.604343

OrbPairId : 4338294, Prediction : -35.381262

OrbPairId : 4338177, Prediction : -41.915561

OrbPairId : 4338123, Prediction : -27.015368

OrbPairId : 4338082, Prediction : -36.058853

OrbPairId : 4337986, Prediction : -35.057392

OrbPairId : 4337892, Prediction : -42.834256

OrbPairId : 4337843, Prediction : -41.119893

OrbPairId : 4337458, Prediction : -39.384988

OrbPairId : 4337295, Prediction : -36.992840

OrbPairId : 4334715, Prediction : -43.485654

OrbPairId : 4333280, Prediction : -39.201205

OrbPairId : 4333122, Prediction : -41.587818

OrbPairId : 4362707, Prediction : -41.379073

OrbPairId : 4362298, Prediction : -45.525207

OrbPairId : 4361908, Prediction : -45.030636

OrbPairId : 4361834, Prediction : -43.025992

OrbPairId : 4361642, Prediction : -41.414042

OrbPairId : 4361521, Prediction : -36.797622

OrbPairId : 4361366, Prediction : -40.939925

OrbPairId : 4361322, Prediction : -43.647311

OrbPairId : 4361282, Prediction : -34.018737

OrbPairId : 4360028, Prediction : -33.578039

OrbPairId : 4359887, Prediction : -38.436875

OrbPairId : 4359545, Prediction : -40.561384

OrbPairId : 4359505, Prediction : -32.180783

OrbPairId : 4359468, Prediction : -40.117658

OrbPairId : 4359414, Prediction : -42.612487

OrbPairId : 4359050, Prediction : -39.116677

OrbPairId : 4358997, Prediction : -41.749123

OrbPairId : 4357696, Prediction : -33.479104

OrbPairId : 4357604, Prediction : -33.149283

OrbPairId : 4357574, Prediction : -29.740447

OrbPairId : 4333032, Prediction : -37.338727

OrbPairId : 4331727, Prediction : -43.320947

OrbPairId : 4331349, Prediction : -45.128836

OrbPairId : 4331299, Prediction : -41.474516

OrbPairId : 4330953, Prediction : -41.689236

OPReactantPairId: 1528, ReactionConditionsId: 1

NumPos: 1, numNeg: 5

Pos data

OrbPairId : 672, Prediction : -35.105908

Neg data

OrbPairId : 444101, Prediction : -33.255146

OrbPairId : 360297, Prediction : -34.877143

OrbPairId : 99016, Prediction : -21.708502

OrbPairId : 93139, Prediction : -32.221657

OrbPairId : 93055, Prediction : -32.588125

OPReactantPairId: 1842, ReactionConditionsId: 1

NumPos: 2, numNeg: 13

Pos data

OrbPairId : 1010, Prediction : -24.587691

OrbPairId : 1006, Prediction : -27.499685

Neg data

OrbPairId : 1813856, Prediction : -23.799403

OrbPairId : 1708790, Prediction : -24.942862

OrbPairId : 1691616, Prediction : -23.887369

OrbPairId : 1493711, Prediction : -25.522396

OrbPairId : 1527582, Prediction : -26.332866

OrbPairId : 1320162, Prediction : -23.750694

OrbPairId : 1171987, Prediction : -25.152873

OrbPairId : 1155837, Prediction : -22.445744

OrbPairId : 1121951, Prediction : -26.786931

OrbPairId : 976397, Prediction : -25.847302

OrbPairId : 960380, Prediction : -23.019965

OrbPairId : 889836, Prediction : -23.995275

OrbPairId : 852062, Prediction : -21.708502

OPReactantPairId: 2763, ReactionConditionsId: 3

NumPos: 2, numNeg: 1

Pos data

OrbPairId : 2028, Prediction : -13.515598

OrbPairId : 2027, Prediction : -10.696041

Neg data

OrbPairId : 4113216, Prediction : -12.484843

OPReactantPairId: 3153, ReactionConditionsId: 2

NumPos: 2, numNeg: 13

Pos data

OrbPairId : 2731, Prediction : -29.300504

OrbPairId : 2732, Prediction : -31.798130

Neg data

OrbPairId : 6065034, Prediction : -29.234681

OrbPairId : 5930827, Prediction : -30.475174

OrbPairId : 5930725, Prediction : -30.853236

OrbPairId : 5906484, Prediction : -28.721801

OrbPairId : 6072929, Prediction : -28.572134

OrbPairId : 6072802, Prediction : -28.979306

OrbPairId : 5921895, Prediction : -30.954162

OrbPairId : 5914119, Prediction : -27.932846

OrbPairId : 5914024, Prediction : -28.387535

OrbPairId : 5772350, Prediction : -28.643377

OrbPairId : 5772246, Prediction : -29.114489

OrbPairId : 4884589, Prediction : -19.611579

OrbPairId : 4881281, Prediction : -21.020923

OPReactantPairId: 3150, ReactionConditionsId: 2

NumPos: 2, numNeg: 10

Pos data

OrbPairId : 2727, Prediction : -27.381195

OrbPairId : 2726, Prediction : -27.880049

Neg data

OrbPairId : 6296797, Prediction : -21.020923

OrbPairId : 6292086, Prediction : -19.267937

OrbPairId : 6054669, Prediction : -27.824443

OrbPairId : 5897758, Prediction : -27.206660

OrbPairId : 5756280, Prediction : -26.598945

OrbPairId : 5739435, Prediction : -26.159344

OrbPairId : 5739344, Prediction : -26.311329

OrbPairId : 5649139, Prediction : -21.806743

OrbPairId : 5639692, Prediction : -19.298354

OrbPairId : 5639556, Prediction : -20.322426

OPReactantPairId: 1953, ReactionConditionsId: 2

NumPos: 2, numNeg: 2

Pos data

OrbPairId : 2685, Prediction : -22.723070

OrbPairId : 2686, Prediction : -22.404093

Neg data

OrbPairId : 1932200, Prediction : -22.434752

OrbPairId : 1154793, Prediction : -21.020923

OPReactantPairId: 2277, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 2543, Prediction : -14.062298

Neg data

OrbPairId : 2127548, Prediction : -13.353944

OPReactantPairId: 3708, ReactionConditionsId: 2

NumPos: 2, numNeg: 15

Pos data

OrbPairId : 3501, Prediction : -26.268901

OrbPairId : 3502, Prediction : -25.494656

Neg data

OrbPairId : 7668879, Prediction : -19.538306

OrbPairId : 7647520, Prediction : -11.090768

OrbPairId : 7677022, Prediction : -18.931656

OrbPairId : 7639938, Prediction : -8.795855

OrbPairId : 7603154, Prediction : -11.611415

OrbPairId : 7598197, Prediction : -10.123156

OrbPairId : 7593412, Prediction : -8.035190

OrbPairId : 7550101, Prediction : -12.444186

OrbPairId : 7544380, Prediction : -7.724660

OrbPairId : 7538753, Prediction : -7.132526

OrbPairId : 7503627, Prediction : -22.779517

OrbPairId : 7503562, Prediction : -23.797340

OrbPairId : 7502226, Prediction : -4.187515

OrbPairId : 7502132, Prediction : -21.592295

OrbPairId : 7469666, Prediction : -12.190570

OPReactantPairId: 2724, ReactionConditionsId: 8

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 1980, Prediction : -13.756301

Neg data

OrbPairId : 3611519, Prediction : -12.341692

OPReactantPairId: 1524, ReactionConditionsId: 2

NumPos: 2, numNeg: 3

Pos data

OrbPairId : 2714, Prediction : -27.131579

OrbPairId : 2713, Prediction : -27.897392

Neg data

OrbPairId : 176520, Prediction : -18.345782

OrbPairId : 186887, Prediction : -21.689807

OrbPairId : 79750, Prediction : -21.020923

OPReactantPairId: 1642, ReactionConditionsId: 2

NumPos: 2, numNeg: 1

Pos data

OrbPairId : 2660, Prediction : -22.723075

OrbPairId : 2664, Prediction : -22.392113

Neg data

OrbPairId : 1760055, Prediction : -21.020923

OPReactantPairId: 2434, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

OrbPairId : 1661, Prediction : -1.578414

Neg data

OrbPairId : 2531270, Prediction : 0.270466

OPReactantPairId: 1539, ReactionConditionsId: 2

NumPos: 2, numNeg: 15

Pos data