final_detections.csv

species,smiles,parent,parent 2,isotopologue,source,N,logN,final vectors 70,final vectors iso 70
HCN,C#N,Main,Main,n,Drozdovskaya (19),5.00E+16,16.7,"[0.24084035, 1.1850275, 1.4768881, -0.5489886, 0.8776835, 0.32739085, -0.9186912, 1.062864, 1.4168923, 0.8330387, 0.7542119, -0.11261308, 0.9641727, 0.8769268, 1.6800431, -0.37678176, -1.1836176, 0.70213616, 2.2022004, 0.16623636, -0.16458704, 0.37047297, 0.9832332, 0.8550016, -0.75705147, -1.3546586, -0.2493047, 1.5337241, 2.4265752, -0.35732144, 1.0522097, -1.0031705, -1.0249472, -0.15501952, 0.015276853, 0.60908747, -1.2160578, 2.218, -1.6547005, 0.46945792, -0.44718245, -0.92977506, 0.34022564, 0.31824893, 0.45099068, -0.07785222, -0.0077953786, -1.6508365, 0.39765665, 1.1066933, 0.237109, -1.1732696, 1.1808975, -0.8770758, 1.3032705, 0.056833506, -1.7642137, -0.5723899, -1.2090381, -0.2778296, 0.55163205, 0.4341292, 1.7771662, 2.6973338, 0.34623176, -0.21547279, -1.7550762, 0.2513418, -1.4004864, 0.09281626]","[0.24084035, 1.1850275, 1.4768881, -0.5489886, 0.8776835, 0.32739085, -0.9186912, 1.062864, 1.4168923, 0.8330387, 0.7542119, -0.11261308, 0.9641727, 0.8769268, 1.6800431, -0.37678176, -1.1836176, 0.70213616, 2.2022004, 0.16623636, -0.16458704, 0.37047297, 0.9832332, 0.8550016, -0.75705147, -1.3546586, -0.2493047, 1.5337241, 2.4265752, -0.35732144, 1.0522097, -1.0031705, -1.0249472, -0.15501952, 0.015276853, 0.60908747, -1.2160578, 2.218, -1.6547005, 0.46945792, -0.44718245, -0.92977506, 0.34022564, 0.31824893, 0.45099068, -0.07785222, -0.0077953786, -1.6508365, 0.39765665, 1.1066933, 0.237109, -1.1732696, 1.1808975, -0.8770758, 1.3032705, 0.056833506, -1.7642137, -0.5723899, -1.2090381, -0.2778296, 0.55163205, 0.4341292, 1.7771662, 2.6973338, 0.34623176, -0.21547279, -1.7550762, 0.2513418, -1.4004864, 0.09281626, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
HC(15N),C#[15N],C#N,C#N,y,Drozdovskaya (19),2.50E+14,14.39794001,"[0.24084035, 1.1850275, 1.4768881, -0.5489886, 0.8776835, 0.32739085, -0.9186912, 1.062864, 1.4168923, 0.8330387, 0.7542119, -0.11261308, 0.9641727, 0.8769268, 1.6800431, -0.37678176, -1.1836176, 0.70213616, 2.2022004, 0.16623636, -0.16458704, 0.37047297, 0.9832332, 0.8550016, -0.75705147, -1.3546586, -0.2493047, 1.5337241, 2.4265752, -0.35732144, 1.0522097, -1.0031705, -1.0249472, -0.15501952, 0.015276853, 0.60908747, -1.2160578, 2.218, -1.6547005, 0.46945792, -0.44718245, -0.92977506, 0.34022564, 0.31824893, 0.45099068, -0.07785222, -0.0077953786, -1.6508365, 0.39765665, 1.1066933, 0.237109, -1.1732696, 1.1808975, -0.8770758, 1.3032705, 0.056833506, -1.7642137, -0.5723899, -1.2090381, -0.2778296, 0.55163205, 0.4341292, 1.7771662, 2.6973338, 0.34623176, -0.21547279, -1.7550762, 0.2513418, -1.4004864, 0.09281626]","[0.24084035, 1.1850275, 1.4768881, -0.5489886, 0.8776835, 0.32739085, -0.9186912, 1.062864, 1.4168923, 0.8330387, 0.7542119, -0.11261308, 0.9641727, 0.8769268, 1.6800431, -0.37678176, -1.1836176, 0.70213616, 2.2022004, 0.16623636, -0.16458704, 0.37047297, 0.9832332, 0.8550016, -0.75705147, -1.3546586, -0.2493047, 1.5337241, 2.4265752, -0.35732144, 1.0522097, -1.0031705, -1.0249472, -0.15501952, 0.015276853, 0.60908747, -1.2160578, 2.218, -1.6547005, 0.46945792, -0.44718245, -0.92977506, 0.34022564, 0.31824893, 0.45099068, -0.07785222, -0.0077953786, -1.6508365, 0.39765665, 1.1066933, 0.237109, -1.1732696, 1.1808975, -0.8770758, 1.3032705, 0.056833506, -1.7642137, -0.5723899, -1.2090381, -0.2778296, 0.55163205, 0.4341292, 1.7771662, 2.6973338, 0.34623176, -0.21547279, -1.7550762, 0.2513418, -1.4004864, 0.09281626, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
NH2CHO,NC=O,Main,Main,n,Coutens et al. (16),9.50E+15,15.98,"[-2.4563138, -0.72862643, -0.71998954, -1.5192794, 3.8396237, -0.14258707, -3.0525224, 1.5459265, 3.180367, 1.8833569, 2.2407663, -0.5257039, 0.17874894, 0.62809086, 4.2205954, 0.5717315, -3.1852083, 1.1782881, 3.2452793, -1.4335455, -0.21801451, 0.7329906, 3.1115766, -0.67863274, -2.6178727, -2.5996182, -0.9938825, 0.88576806, 0.6055463, -0.39033148, -1.0327559, -2.9769778, -0.2920967, 0.09813662, -1.0633028, -1.68193, -1.0914121, 2.2589586, 0.12624733, -0.63083255, -0.21756035, -3.7739682, 0.35930288, -2.5757194, 0.56816614, -1.8616567, 2.0186372, -0.799405, 0.7565955, 0.6868586, -1.3729148, -0.76207733, 1.7080004, 1.6419435, 3.055382, 1.4027374, -2.5965729, -1.7561722, 1.8295156, -0.58683336, -0.80319774, 1.3917899, 0.010473192, 2.7402854, -1.6192669, 0.018550843, -1.3043242, -0.44264758, -1.983428, -0.8414209]","[-2.4563138, -0.72862643, -0.71998954, -1.5192794, 3.8396237, -0.14258707, -3.0525224, 1.5459265, 3.180367, 1.8833569, 2.2407663, -0.5257039, 0.17874894, 0.62809086, 4.2205954, 0.5717315, -3.1852083, 1.1782881, 3.2452793, -1.4335455, -0.21801451, 0.7329906, 3.1115766, -0.67863274, -2.6178727, -2.5996182, -0.9938825, 0.88576806, 0.6055463, -0.39033148, -1.0327559, -2.9769778, -0.2920967, 0.09813662, -1.0633028, -1.68193, -1.0914121, 2.2589586, 0.12624733, -0.63083255, -0.21756035, -3.7739682, 0.35930288, -2.5757194, 0.56816614, -1.8616567, 2.0186372, -0.799405, 0.7565955, 0.6868586, -1.3729148, -0.76207733, 1.7080004, 1.6419435, 3.055382, 1.4027374, -2.5965729, -1.7561722, 1.8295156, -0.58683336, -0.80319774, 1.3917899, 0.010473192, 2.7402854, -1.6192669, 0.018550843, -1.3043242, -0.44264758, -1.983428, -0.8414209, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
NH2CDO,[2H]C(N)=O,NC=O,NC=O,y,Coutens et al. (16),2.10E+14,14.32221929,"[-4.684608, 0.34441093, 0.3167836, -1.7305151, 3.3200471, 1.0055723, -3.1524875, 3.0664895, 3.1163056, 1.3423033, 2.5572352, -0.9596163, 1.4606718, 0.05044207, 1.9701241, -0.72955924, -3.6143026, 3.1655426, 3.7541049, -3.0456204, -0.37217686, 0.6749096, 3.8231492, -2.4449267, -3.1875687, -2.5034795, -0.5794077, 1.772516, 1.0682998, -1.2491505, -0.49842516, -2.2291799, -1.1719257, -0.4499721, -1.9886658, -1.629103, -1.4124942, 2.7467272, 0.7451935, -0.5360515, 0.32357812, -3.4875917, -0.8773314, -3.7868114, 0.5468991, -1.3615583, 1.7900927, -0.61577666, 1.3872566, 1.1057577, -2.0837965, -1.6617036, 1.2001364, 2.9201076, 2.135986, 1.4895544, -4.25353, -3.170002, -0.29097515, -0.16275102, -0.554739, 0.5963862, 2.177782, 4.2298474, -2.3328013, 0.3704059, -1.373377, 0.49885687, -1.6024925, -1.4122422]","[-2.4563138, -0.72862643, -0.71998954, -1.5192794, 3.8396237, -0.14258707, -3.0525224, 1.5459265, 3.180367, 1.8833569, 2.2407663, -0.5257039, 0.17874894, 0.62809086, 4.2205954, 0.5717315, -3.1852083, 1.1782881, 3.2452793, -1.4335455, -0.21801451, 0.7329906, 3.1115766, -0.67863274, -2.6178727, -2.5996182, -0.9938825, 0.88576806, 0.6055463, -0.39033148, -1.0327559, -2.9769778, -0.2920967, 0.09813662, -1.0633028, -1.68193, -1.0914121, 2.2589586, 0.12624733, -0.63083255, -0.21756035, -3.7739682, 0.35930288, -2.5757194, 0.56816614, -1.8616567, 2.0186372, -0.799405, 0.7565955, 0.6868586, -1.3729148, -0.76207733, 1.7080004, 1.6419435, 3.055382, 1.4027374, -2.5965729, -1.7561722, 1.8295156, -0.58683336, -0.80319774, 1.3917899, 0.010473192, 2.7402854, -1.6192669, 0.018550843, -1.3043242, -0.44264758, -1.983428, -0.8414209, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 1, 0, 1]"
NH2(13C)HO,N[13CH]=O,NC=O,NC=O,y,Coutens et al. (16),1.50E+14,14.17609126,"[-2.4563138, -0.72862643, -0.71998954, -1.5192794, 3.8396237, -0.14258707, -3.0525224, 1.5459265, 3.180367, 1.8833569, 2.2407663, -0.5257039, 0.17874894, 0.62809086, 4.2205954, 0.5717315, -3.1852083, 1.1782881, 3.2452793, -1.4335455, -0.21801451, 0.7329906, 3.1115766, -0.67863274, -2.6178727, -2.5996182, -0.9938825, 0.88576806, 0.6055463, -0.39033148, -1.0327559, -2.9769778, -0.2920967, 0.09813662, -1.0633028, -1.68193, -1.0914121, 2.2589586, 0.12624733, -0.63083255, -0.21756035, -3.7739682, 0.35930288, -2.5757194, 0.56816614, -1.8616567, 2.0186372, -0.799405, 0.7565955, 0.6868586, -1.3729148, -0.76207733, 1.7080004, 1.6419435, 3.055382, 1.4027374, -2.5965729, -1.7561722, 1.8295156, -0.58683336, -0.80319774, 1.3917899, 0.010473192, 2.7402854, -1.6192669, 0.018550843, -1.3043242, -0.44264758, -1.983428, -0.8414209]","[-2.4563138, -0.72862643, -0.71998954, -1.5192794, 3.8396237, -0.14258707, -3.0525224, 1.5459265, 3.180367, 1.8833569, 2.2407663, -0.5257039, 0.17874894, 0.62809086, 4.2205954, 0.5717315, -3.1852083, 1.1782881, 3.2452793, -1.4335455, -0.21801451, 0.7329906, 3.1115766, -0.67863274, -2.6178727, -2.5996182, -0.9938825, 0.88576806, 0.6055463, -0.39033148, -1.0327559, -2.9769778, -0.2920967, 0.09813662, -1.0633028, -1.68193, -1.0914121, 2.2589586, 0.12624733, -0.63083255, -0.21756035, -3.7739682, 0.35930288, -2.5757194, 0.56816614, -1.8616567, 2.0186372, -0.799405, 0.7565955, 0.6868586, -1.3729148, -0.76207733, 1.7080004, 1.6419435, 3.055382, 1.4027374, -2.5965729, -1.7561722, 1.8295156, -0.58683336, -0.80319774, 1.3917899, 0.010473192, 2.7402854, -1.6192669, 0.018550843, -1.3043242, -0.44264758, -1.983428, -0.8414209, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 0, 0]"
HCOOCH3,COC=O,Main,Main,n,Jorgensen et al. (18),2.60E+17,17.41,"[-2.483458, -0.17716494, 0.01729405, -0.13202032, 8.313417, 0.52347, -3.1029403, -0.5306893, 2.1979368, 0.8403894, 2.1539683, 0.29182228, 0.8771353, 0.9987432, 4.462011, 0.58552897, -5.773816, 2.5174649, 2.9483716, -0.9590158, -1.8826643, 1.0571195, 3.8170607, -1.0054448, -5.905962, -1.7437379, -2.6278346, 2.3310435, 1.6305933, -1.9857663, 0.36012712, -4.2454906, -0.6701268, -1.7828847, -1.5834112, -0.41669086, -3.1749744, 3.1059449, -1.2087092, 0.3998202, 2.655658, -5.649436, -0.6904061, -1.6355641, 2.1675634, -2.29652, 3.975111, 0.19630851, 0.60195106, 1.0548016, -0.6388284, -1.2867954, 1.76298, 1.0028211, 2.707837, 1.4021297, -2.9079783, -2.034791, -0.34639674, -2.3022342, -0.690871, 0.0003771186, 0.5002512, 4.2267175, -2.7615328, 0.032425255, -0.3764795, 1.686742, -0.99778295, 1.4452963]","[-2.483458, -0.17716494, 0.01729405, -0.13202032, 8.313417, 0.52347, -3.1029403, -0.5306893, 2.1979368, 0.8403894, 2.1539683, 0.29182228, 0.8771353, 0.9987432, 4.462011, 0.58552897, -5.773816, 2.5174649, 2.9483716, -0.9590158, -1.8826643, 1.0571195, 3.8170607, -1.0054448, -5.905962, -1.7437379, -2.6278346, 2.3310435, 1.6305933, -1.9857663, 0.36012712, -4.2454906, -0.6701268, -1.7828847, -1.5834112, -0.41669086, -3.1749744, 3.1059449, -1.2087092, 0.3998202, 2.655658, -5.649436, -0.6904061, -1.6355641, 2.1675634, -2.29652, 3.975111, 0.19630851, 0.60195106, 1.0548016, -0.6388284, -1.2867954, 1.76298, 1.0028211, 2.707837, 1.4021297, -2.9079783, -2.034791, -0.34639674, -2.3022342, -0.690871, 0.0003771186, 0.5002512, 4.2267175, -2.7615328, 0.032425255, -0.3764795, 1.686742, -0.99778295, 1.4452963, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
CH3OCDO,[2H]C(=O)OC,COC=O,COC=O,y,Jorgensen et al. (18),1.50E+16,16.17609126,"[-4.5967226, 0.6762583, 1.0481224, -0.41150138, 7.6466565, 0.96145284, -3.0845954, 1.4271252, 2.5572507, 0.53114074, 2.715616, -0.15471195, 1.9349275, 0.3984305, 2.6813557, -0.74023896, -6.228511, 4.866016, 3.5387168, -3.0834615, -1.8984532, 1.3202189, 4.9836693, -3.4569662, -6.3547115, -1.9113901, -1.9960542, 2.9830441, 1.9965212, -3.0293849, 0.43432206, -3.593109, -1.6467435, -2.3549042, -2.739083, -0.7203853, -2.9018207, 3.8722222, -0.084668726, 0.5838714, 2.8859138, -6.1071925, -1.5972226, -3.5120642, 1.7459087, -1.7011255, 3.3408723, 0.09394029, 1.3265054, 1.3699772, -1.4104853, -2.3508916, 1.2062668, 3.1855762, 1.703099, 1.8369881, -5.7269716, -3.5899148, -1.7399505, -2.0267448, -0.6913064, 0.024059221, 2.947714, 5.9145584, -3.614459, -0.069321655, -0.021548927, 2.1862226, -0.51609015, 0.74756217]","[-2.483458, -0.17716494, 0.01729405, -0.13202032, 8.313417, 0.52347, -3.1029403, -0.5306893, 2.1979368, 0.8403894, 2.1539683, 0.29182228, 0.8771353, 0.9987432, 4.462011, 0.58552897, -5.773816, 2.5174649, 2.9483716, -0.9590158, -1.8826643, 1.0571195, 3.8170607, -1.0054448, -5.905962, -1.7437379, -2.6278346, 2.3310435, 1.6305933, -1.9857663, 0.36012712, -4.2454906, -0.6701268, -1.7828847, -1.5834112, -0.41669086, -3.1749744, 3.1059449, -1.2087092, 0.3998202, 2.655658, -5.649436, -0.6904061, -1.6355641, 2.1675634, -2.29652, 3.975111, 0.19630851, 0.60195106, 1.0548016, -0.6388284, -1.2867954, 1.76298, 1.0028211, 2.707837, 1.4021297, -2.9079783, -2.034791, -0.34639674, -2.3022342, -0.690871, 0.0003771186, 0.5002512, 4.2267175, -2.7615328, 0.032425255, -0.3764795, 1.686742, -0.99778295, 1.4452963, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 4, 2, 0, 1]"
CH2DOCHO,[2H]COC=O,COC=O,COC=O,y,Jorgensen et al. (18),4.80E+16,16.68124124,"[-5.069879, 0.5983844, 1.2754977, 0.06874588, 8.055124, 1.0526458, -3.0050466, 1.1590312, 2.401172, -0.29896647, 2.660152, 0.28759548, 2.315821, -0.956301, 1.1218033, -0.3809201, -5.723674, 4.851117, 4.853912, -3.3714275, -1.887081, 1.8826153, 5.6515946, -2.7782106, -6.470892, -2.5877502, -0.9262086, 2.7074234, 2.378581, -2.4409378, 0.6926748, -4.006499, -1.9942654, -3.3760645, -2.732956, -1.2530854, -1.5622246, 4.2065625, -0.35644144, 1.0158781, 2.7050405, -6.1792364, -0.89032793, -3.1801853, 2.719634, -0.7095511, 3.5672045, -0.9351672, 1.9528902, 0.82088506, -1.0964928, -2.0000587, 0.4140337, 2.3248603, 1.2493355, 1.4208181, -5.996175, -4.1023273, -2.097909, -2.679032, -1.0051585, 0.8270058, 2.4999216, 6.378415, -2.9881537, -0.1529662, -1.1135564, 2.5952864, -0.7081373, 0.86677635]","[-2.483458, -0.17716494, 0.01729405, -0.13202032, 8.313417, 0.52347, -3.1029403, -0.5306893, 2.1979368, 0.8403894, 2.1539683, 0.29182228, 0.8771353, 0.9987432, 4.462011, 0.58552897, -5.773816, 2.5174649, 2.9483716, -0.9590158, -1.8826643, 1.0571195, 3.8170607, -1.0054448, -5.905962, -1.7437379, -2.6278346, 2.3310435, 1.6305933, -1.9857663, 0.36012712, -4.2454906, -0.6701268, -1.7828847, -1.5834112, -0.41669086, -3.1749744, 3.1059449, -1.2087092, 0.3998202, 2.655658, -5.649436, -0.6904061, -1.6355641, 2.1675634, -2.29652, 3.975111, 0.19630851, 0.60195106, 1.0548016, -0.6388284, -1.2867954, 1.76298, 1.0028211, 2.707837, 1.4021297, -2.9079783, -2.034791, -0.34639674, -2.3022342, -0.690871, 0.0003771186, 0.5002512, 4.2267175, -2.7615328, 0.032425255, -0.3764795, 1.686742, -0.99778295, 1.4452963, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 4, 1, 0, 0]"
CHD2OCHO,[2H]C([2H])OC=O,COC=O,COC=O,y,Manigand et al. (18),1.10E+16,16.04139269,"[-5.899499, 0.7375946, 1.6397042, 0.9894066, 8.465504, 1.8302858, -2.9687905, 2.973894, 2.801001, -0.8206594, 3.3016725, 0.24412528, 3.3235188, -2.0008426, -0.85779536, -1.8372779, -6.4948926, 6.148275, 7.4259396, -5.0900707, -1.8035537, 2.0413315, 6.099846, -4.4728866, -6.4187927, -3.1966498, 0.36697173, 3.4685056, 2.4829385, -1.9402921, 1.8190405, -3.4021964, -2.3502154, -4.171122, -3.602181, -1.0648065, -1.4869902, 5.1819115, 0.22403175, 1.1709118, 2.0405064, -6.008638, -0.9277406, -3.508453, 1.9966198, 0.45317948, 3.5239978, -2.0108376, 3.036369, 0.88612336, -1.5693094, -2.5671258, 0.68124443, 3.3162956, 0.19577773, 1.0141945, -7.9322414, -5.770689, -4.551569, -3.4862504, -0.99160564, 1.112589, 3.4611368, 7.9896584, -3.0045223, -0.55828166, -1.1273491, 3.4757655, -0.73631394, 0.2529599]","[-2.483458, -0.17716494, 0.01729405, -0.13202032, 8.313417, 0.52347, -3.1029403, -0.5306893, 2.1979368, 0.8403894, 2.1539683, 0.29182228, 0.8771353, 0.9987432, 4.462011, 0.58552897, -5.773816, 2.5174649, 2.9483716, -0.9590158, -1.8826643, 1.0571195, 3.8170607, -1.0054448, -5.905962, -1.7437379, -2.6278346, 2.3310435, 1.6305933, -1.9857663, 0.36012712, -4.2454906, -0.6701268, -1.7828847, -1.5834112, -0.41669086, -3.1749744, 3.1059449, -1.2087092, 0.3998202, 2.655658, -5.649436, -0.6904061, -1.6355641, 2.1675634, -2.29652, 3.975111, 0.19630851, 0.60195106, 1.0548016, -0.6388284, -1.2867954, 1.76298, 1.0028211, 2.707837, 1.4021297, -2.9079783, -2.034791, -0.34639674, -2.3022342, -0.690871, 0.0003771186, 0.5002512, 4.2267175, -2.7615328, 0.032425255, -0.3764795, 1.686742, -0.99778295, 1.4452963, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 4, 1, 0, 0]"
C2H5OCH3,CCOC,Main,Main,n,Manigand et al. (20),1.80E+16,16.26,"[-0.23399766, 0.97853434, 0.07944946, 0.59402955, 8.816753, 0.017411739, -2.189333, -0.89732146, 1.4244313, 2.1286001, 3.003467, -1.1457661, 1.2881156, 1.8038988, 2.7149558, 1.5634255, -6.975689, 0.68518966, 3.1135368, -0.6589738, -1.0710487, -0.18208075, 3.3086927, 0.52801687, -4.562707, -2.6196833, -2.6083858, 1.8936213, 4.5005765, -0.5749345, 1.4148294, -4.817926, 0.13313232, -3.6845942, -0.6139411, -0.16495743, -4.321633, 2.3070402, -2.0341694, 0.9036323, 0.91089284, -1.3638785, -0.95162874, 0.18384543, 2.4574573, -1.822311, 3.74867, -0.4849068, 0.8796538, 0.12490287, -2.4860823, -0.11758769, 0.46879914, -0.04676918, 1.9714673, -0.051674113, -0.33729726, -1.4482049, -1.4476663, -1.9226348, -1.7484821, 0.38291866, 1.5111622, 6.7265854, -0.9821182, -0.33294937, 0.7819122, 3.3179502, 0.24620058, 3.6506312]","[-0.23399766, 0.97853434, 0.07944946, 0.59402955, 8.816753, 0.017411739, -2.189333, -0.89732146, 1.4244313, 2.1286001, 3.003467, -1.1457661, 1.2881156, 1.8038988, 2.7149558, 1.5634255, -6.975689, 0.68518966, 3.1135368, -0.6589738, -1.0710487, -0.18208075, 3.3086927, 0.52801687, -4.562707, -2.6196833, -2.6083858, 1.8936213, 4.5005765, -0.5749345, 1.4148294, -4.817926, 0.13313232, -3.6845942, -0.6139411, -0.16495743, -4.321633, 2.3070402, -2.0341694, 0.9036323, 0.91089284, -1.3638785, -0.95162874, 0.18384543, 2.4574573, -1.822311, 3.74867, -0.4849068, 0.8796538, 0.12490287, -2.4860823, -0.11758769, 0.46879914, -0.04676918, 1.9714673, -0.051674113, -0.33729726, -1.4482049, -1.4476663, -1.9226348, -1.7484821, 0.38291866, 1.5111622, 6.7265854, -0.9821182, -0.33294937, 0.7819122, 3.3179502, 0.24620058, 3.6506312, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
CH3CCH,C#CC,Main,Main,n,Calcutt et al. (19),1.10E+16,16.04,"[0.3160141, 1.5642866, 1.9347484, -0.55081606, 2.7328758, -1.1517146, -2.5601838, 2.4184856, 2.5202901, 0.10289563, 2.589396, -1.3852551, 2.600799, 1.9883022, 2.802094, 0.73903906, -3.6054516, 1.2374897, 2.0280807, 0.41033983, -0.29822418, 0.2973127, 0.76800346, 2.509693, -3.9062204, -3.0888214, -0.6662866, 4.5524454, 5.1346307, -0.58361936, 2.2665205, -1.9138757, -0.9543618, -0.074843936, 0.2100456, 0.8853544, -2.7885318, 4.0503654, -2.2107399, 0.48327476, -0.1457022, -0.63096136, 0.63339347, 0.5693702, 1.665483, -1.5263395, 1.125804, -0.44704685, 0.23115484, 1.7242405, 0.5442821, -1.5864749, 1.5092858, -0.9812052, 2.8570786, 0.3807574, -3.7547584, -0.85095894, -5.0188184, 0.50177896, 1.3783954, 0.5532981, 4.564292, 6.769327, 0.09334275, -0.88367605, -2.518611, 2.5111086, -2.6932654, 0.5064864]","[0.3160141, 1.5642866, 1.9347484, -0.55081606, 2.7328758, -1.1517146, -2.5601838, 2.4184856, 2.5202901, 0.10289563, 2.589396, -1.3852551, 2.600799, 1.9883022, 2.802094, 0.73903906, -3.6054516, 1.2374897, 2.0280807, 0.41033983, -0.29822418, 0.2973127, 0.76800346, 2.509693, -3.9062204, -3.0888214, -0.6662866, 4.5524454, 5.1346307, -0.58361936, 2.2665205, -1.9138757, -0.9543618, -0.074843936, 0.2100456, 0.8853544, -2.7885318, 4.0503654, -2.2107399, 0.48327476, -0.1457022, -0.63096136, 0.63339347, 0.5693702, 1.665483, -1.5263395, 1.125804, -0.44704685, 0.23115484, 1.7242405, 0.5442821, -1.5864749, 1.5092858, -0.9812052, 2.8570786, 0.3807574, -3.7547584, -0.85095894, -5.0188184, 0.50177896, 1.3783954, 0.5532981, 4.564292, 6.769327, 0.09334275, -0.88367605, -2.518611, 2.5111086, -2.6932654, 0.5064864, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CH3OH,CO,Main,Main,n,Jorgensen et al. (16/18),1.00E+19,19,"[-0.75515705, 0.20892425, -0.4343065, 0.046391934, 1.8297236, -0.25119233, -1.1185894, 0.04091254, 0.9794757, 0.43460375, 1.2329905, -0.70602244, 0.8645894, -0.030816376, 1.0764873, 0.54961455, -1.5474187, 0.2404416, 1.7026858, -0.16642955, 0.57219565, 0.46542752, 1.0116808, -0.09005384, -2.569351, -0.57624465, -0.7181511, 0.8330092, 0.9968586, -0.418005, 0.34902388, -1.1673391, -0.19274023, -0.830052, -0.4678942, -0.20677853, -0.3896419, 1.3690014, -0.86677337, 1.0137521, -0.17997357, -0.65291333, 0.5311924, 0.017674983, 0.9404755, -0.873057, 1.7521394, -0.48423818, 0.7306218, 0.8380633, -0.21308985, -0.45021522, -0.1997574, -0.2899097, 0.49836257, -0.4421324, -1.721333, 0.5261696, -0.10330561, 0.022938877, -0.7888783, 0.54364645, 0.48275387, 2.2125237, 0.03099209, -0.331052, -0.4416191, -0.17838998, 0.34249818, -0.13501118]","[-0.75515705, 0.20892425, -0.4343065, 0.046391934, 1.8297236, -0.25119233, -1.1185894, 0.04091254, 0.9794757, 0.43460375, 1.2329905, -0.70602244, 0.8645894, -0.030816376, 1.0764873, 0.54961455, -1.5474187, 0.2404416, 1.7026858, -0.16642955, 0.57219565, 0.46542752, 1.0116808, -0.09005384, -2.569351, -0.57624465, -0.7181511, 0.8330092, 0.9968586, -0.418005, 0.34902388, -1.1673391, -0.19274023, -0.830052, -0.4678942, -0.20677853, -0.3896419, 1.3690014, -0.86677337, 1.0137521, -0.17997357, -0.65291333, 0.5311924, 0.017674983, 0.9404755, -0.873057, 1.7521394, -0.48423818, 0.7306218, 0.8380633, -0.21308985, -0.45021522, -0.1997574, -0.2899097, 0.49836257, -0.4421324, -1.721333, 0.5261696, -0.10330561, 0.022938877, -0.7888783, 0.54364645, 0.48275387, 2.2125237, 0.03099209, -0.331052, -0.4416191, -0.17838998, 0.34249818, -0.13501118, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
CD3OH,[2H]C([2H])([2H])O,CO,CO,y,Ilyushin et al. (21),3.70E+16,16.49136169,"[-6.1308694, 1.6116986, 1.6987658, 1.6670141, 3.804862, 1.1942112, -1.2445133, 4.912092, 2.230301, -1.3795242, 3.7106235, -1.4294543, 5.005559, -4.370595, -7.1370063, -2.205867, -3.3914428, 5.604821, 8.00794, -6.322295, 1.3609909, 1.7743801, 4.7443023, -5.163768, -3.792019, -3.228674, 3.1033108, 2.4748847, 2.688049, -1.0756469, 2.2806945, -1.2548755, -2.9000046, -4.8934784, -3.862908, -1.4003433, 1.096649, 5.060151, 1.137975, 2.9607964, -0.45923427, -1.0369887, 0.4843061, -1.9139948, 1.506144, 3.0038142, 1.9697064, -3.3923407, 3.8180335, 1.5476463, -2.0579004, -3.443134, -1.8986461, 2.5918276, -2.5760014, -0.83579063, -10.338056, -4.629985, -5.87905, -1.6290344, -1.2653521, 2.3959417, 5.124069, 9.05634, -0.71550876, -0.748431, -2.5805774, 2.982352, 0.38823396, -1.5268021]","[-0.75515705, 0.20892425, -0.4343065, 0.046391934, 1.8297236, -0.25119233, -1.1185894, 0.04091254, 0.9794757, 0.43460375, 1.2329905, -0.70602244, 0.8645894, -0.030816376, 1.0764873, 0.54961455, -1.5474187, 0.2404416, 1.7026858, -0.16642955, 0.57219565, 0.46542752, 1.0116808, -0.09005384, -2.569351, -0.57624465, -0.7181511, 0.8330092, 0.9968586, -0.418005, 0.34902388, -1.1673391, -0.19274023, -0.830052, -0.4678942, -0.20677853, -0.3896419, 1.3690014, -0.86677337, 1.0137521, -0.17997357, -0.65291333, 0.5311924, 0.017674983, 0.9404755, -0.873057, 1.7521394, -0.48423818, 0.7306218, 0.8380633, -0.21308985, -0.45021522, -0.1997574, -0.2899097, 0.49836257, -0.4421324, -1.721333, 0.5261696, -0.10330561, 0.022938877, -0.7888783, 0.54364645, 0.48275387, 2.2125237, 0.03099209, -0.331052, -0.4416191, -0.17838998, 0.34249818, -0.13501118, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 2, 1, 0, 0]"
CH2DOH,[2H]CO,CO,CO,y,Jorgensen et al. (18),7.10E+17,17.85125835,"[-2.623577, 0.6965531, 0.4259166, 0.4413868, 2.7608213, 0.17892824, -0.977674, 1.840167, 1.5107054, -0.26331425, 2.258509, -0.88909966, 2.313367, -1.6539037, -1.6945925, -0.40105218, -2.1663039, 1.9986826, 4.172044, -2.189046, 0.8917522, 0.89333516, 2.3144546, -1.8623031, -2.8844817, -1.4580289, 0.591028, 1.4126027, 1.554529, -0.6570643, 1.0132585, -0.8927387, -1.2420073, -2.3600986, -1.6636084, -0.527596, 0.26097032, 2.765879, -0.19955972, 1.6225843, -0.26291123, -0.8290839, 0.54823154, -0.6625522, 0.9432335, 0.34269473, 1.9173139, -1.4969485, 1.8964164, 1.1067545, -0.9946098, -1.5666268, -0.82009315, 0.79478776, -0.4387485, -0.7399535, -4.9274125, -1.3095547, -2.1573758, -0.59377444, -1.0981045, 1.1672685, 2.0651565, 4.709325, -0.14155954, -0.49215803, -1.2030364, 0.9955056, 0.3890596, -0.61956096]","[-0.75515705, 0.20892425, -0.4343065, 0.046391934, 1.8297236, -0.25119233, -1.1185894, 0.04091254, 0.9794757, 0.43460375, 1.2329905, -0.70602244, 0.8645894, -0.030816376, 1.0764873, 0.54961455, -1.5474187, 0.2404416, 1.7026858, -0.16642955, 0.57219565, 0.46542752, 1.0116808, -0.09005384, -2.569351, -0.57624465, -0.7181511, 0.8330092, 0.9968586, -0.418005, 0.34902388, -1.1673391, -0.19274023, -0.830052, -0.4678942, -0.20677853, -0.3896419, 1.3690014, -0.86677337, 1.0137521, -0.17997357, -0.65291333, 0.5311924, 0.017674983, 0.9404755, -0.873057, 1.7521394, -0.48423818, 0.7306218, 0.8380633, -0.21308985, -0.45021522, -0.1997574, -0.2899097, 0.49836257, -0.4421324, -1.721333, 0.5261696, -0.10330561, 0.022938877, -0.7888783, 0.54364645, 0.48275387, 2.2125237, 0.03099209, -0.331052, -0.4416191, -0.17838998, 0.34249818, -0.13501118, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 2, 1, 0, 0]"
CH3OD,[2H]OC,CO,CO,y,Jorgensen et al. (18),1.80E+17,17.25527251,"[-3.9440084, 1.492928, 1.2824086, -0.37722185, 1.1640081, -0.44448858, -1.019178, 2.8397071, 1.0688506, -1.2510318, 1.9463009, -2.05052, 2.1644049, -2.392335, -1.7861742, -1.0940598, -0.8506978, 2.2595184, 3.0864017, -2.7167015, 1.6376064, 0.112988345, 1.8268012, -1.9266193, -2.5770185, -0.4565845, 0.23604241, 2.029879, 2.5148797, -1.6636789, 0.68574, -0.8859398, -1.7181771, -2.4268703, -1.2979827, 0.5267155, 0.09942219, 2.086381, 0.13149878, 1.3049624, 0.26027027, -0.6811758, -0.13473132, -0.5070904, 0.37140986, -0.15726134, 2.582613, -2.1166704, 0.90892375, 1.8560634, -0.95837593, -0.9230408, -1.2033182, 0.6182868, -0.3107596, -1.7858318, -5.920317, -1.935104, -1.6283069, 0.5240502, -1.8465601, 1.4254417, 3.3458703, 5.4180326, -0.013000771, 0.08021577, -0.61702114, 1.3290727, -0.2869115, -0.61328954]","[-0.75515705, 0.20892425, -0.4343065, 0.046391934, 1.8297236, -0.25119233, -1.1185894, 0.04091254, 0.9794757, 0.43460375, 1.2329905, -0.70602244, 0.8645894, -0.030816376, 1.0764873, 0.54961455, -1.5474187, 0.2404416, 1.7026858, -0.16642955, 0.57219565, 0.46542752, 1.0116808, -0.09005384, -2.569351, -0.57624465, -0.7181511, 0.8330092, 0.9968586, -0.418005, 0.34902388, -1.1673391, -0.19274023, -0.830052, -0.4678942, -0.20677853, -0.3896419, 1.3690014, -0.86677337, 1.0137521, -0.17997357, -0.65291333, 0.5311924, 0.017674983, 0.9404755, -0.873057, 1.7521394, -0.48423818, 0.7306218, 0.8380633, -0.21308985, -0.45021522, -0.1997574, -0.2899097, 0.49836257, -0.4421324, -1.721333, 0.5261696, -0.10330561, 0.022938877, -0.7888783, 0.54364645, 0.48275387, 2.2125237, 0.03099209, -0.331052, -0.4416191, -0.17838998, 0.34249818, -0.13501118, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 1, 0]"
CH3(18O)H,C[18OH],CO,CO,y,Jorgensen et al. (16),1.87E+16,16.27184161,"[-1.0865015, 0.40941408, -0.2871545, -0.29828113, 1.2781168, -0.379024, -0.5971239, 0.23024377, 0.69967616, -0.9162279, 0.3698652, -1.4660469, 0.46874136, -0.4347917, -0.0867608, -0.67513263, -0.28989333, 0.52217287, 0.28887856, -0.96199346, 0.65616304, -0.04165573, -0.24876712, -0.3177306, -0.79409534, -0.7463799, -0.579167, 0.19974431, 1.4011964, -1.0036758, 0.8262991, -0.26164952, -0.4915676, -0.61644655, 0.0083862, -0.1686674, -0.27999747, 1.029305, -0.71446353, 0.8062476, 0.0073168017, -0.5975652, 0.26308444, 0.045792937, -0.2445445, -0.25229764, 0.08333507, -0.1151699, -0.5029694, 0.108921014, -1.5718682, 0.5831277, -0.6162138, -0.44112444, -0.018395193, 0.23844828, -0.84623986, -0.8422154, -0.63245595, 0.098730415, -0.10706955, 0.3338103, 1.4945596, 1.183973, -0.7387183, 0.31119266, 0.1787342, 0.29831308, -0.42357552, -0.33446842]","[-0.75515705, 0.20892425, -0.4343065, 0.046391934, 1.8297236, -0.25119233, -1.1185894, 0.04091254, 0.9794757, 0.43460375, 1.2329905, -0.70602244, 0.8645894, -0.030816376, 1.0764873, 0.54961455, -1.5474187, 0.2404416, 1.7026858, -0.16642955, 0.57219565, 0.46542752, 1.0116808, -0.09005384, -2.569351, -0.57624465, -0.7181511, 0.8330092, 0.9968586, -0.418005, 0.34902388, -1.1673391, -0.19274023, -0.830052, -0.4678942, -0.20677853, -0.3896419, 1.3690014, -0.86677337, 1.0137521, -0.17997357, -0.65291333, 0.5311924, 0.017674983, 0.9404755, -0.873057, 1.7521394, -0.48423818, 0.7306218, 0.8380633, -0.21308985, -0.45021522, -0.1997574, -0.2899097, 0.49836257, -0.4421324, -1.721333, 0.5261696, -0.10330561, 0.022938877, -0.7888783, 0.54364645, 0.48275387, 2.2125237, 0.03099209, -0.331052, -0.4416191, -0.17838998, 0.34249818, -0.13501118, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
HCOOH,O=CO,Main,Main,n,Jorgensen et al. (18),5.60E+16,16.75,"[-4.2843523, 0.40725216, -1.0089545, -1.6089526, 3.2338028, 0.43782735, -3.8267374, 0.78093004, 2.0031202, 1.9232932, 1.1051503, -0.32246077, 0.16876641, 0.75989157, 3.8388114, 0.2760758, -2.8349466, 1.0534799, 2.5516224, -0.36971122, 0.85365367, 0.22205403, 3.1565895, -0.9365587, -5.0141444, -1.2909131, -1.9089787, 2.737829, 0.5299401, -0.87360454, -0.8703842, -3.0046997, -1.0071584, 0.25618187, -1.5156262, -0.26061124, -1.4375249, 2.866227, -0.13878502, 0.65111816, 0.602515, -4.329333, -0.38985777, -1.755611, 1.9177375, -2.128069, 3.6536617, -0.42652816, 0.61156654, 1.8080094, -0.403194, -1.1395011, 1.8495706, 0.7491504, 2.4278529, -0.1439759, -3.7773452, -1.3451544, 0.82997453, -0.6612383, -0.4873631, 1.0520095, 0.8499466, 2.5908961, -1.1197119, -0.3099097, -1.2647022, -1.234008, -1.0153925, -0.64138174]","[-4.2843523, 0.40725216, -1.0089545, -1.6089526, 3.2338028, 0.43782735, -3.8267374, 0.78093004, 2.0031202, 1.9232932, 1.1051503, -0.32246077, 0.16876641, 0.75989157, 3.8388114, 0.2760758, -2.8349466, 1.0534799, 2.5516224, -0.36971122, 0.85365367, 0.22205403, 3.1565895, -0.9365587, -5.0141444, -1.2909131, -1.9089787, 2.737829, 0.5299401, -0.87360454, -0.8703842, -3.0046997, -1.0071584, 0.25618187, -1.5156262, -0.26061124, -1.4375249, 2.866227, -0.13878502, 0.65111816, 0.602515, -4.329333, -0.38985777, -1.755611, 1.9177375, -2.128069, 3.6536617, -0.42652816, 0.61156654, 1.8080094, -0.403194, -1.1395011, 1.8495706, 0.7491504, 2.4278529, -0.1439759, -3.7773452, -1.3451544, 0.82997453, -0.6612383, -0.4873631, 1.0520095, 0.8499466, 2.5908961, -1.1197119, -0.3099097, -1.2647022, -1.234008, -1.0153925, -0.64138174, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
H(13C)OOH,O=[13CH]O,O=CO,O=CO,y,Jorgensen et al. (18),8.30E+14,14.91907809,"[-4.2843523, 0.40725216, -1.0089545, -1.6089526, 3.2338028, 0.43782735, -3.8267374, 0.78093004, 2.0031202, 1.9232932, 1.1051503, -0.32246077, 0.16876641, 0.75989157, 3.8388114, 0.2760758, -2.8349466, 1.0534799, 2.5516224, -0.36971122, 0.85365367, 0.22205403, 3.1565895, -0.9365587, -5.0141444, -1.2909131, -1.9089787, 2.737829, 0.5299401, -0.87360454, -0.8703842, -3.0046997, -1.0071584, 0.25618187, -1.5156262, -0.26061124, -1.4375249, 2.866227, -0.13878502, 0.65111816, 0.602515, -4.329333, -0.38985777, -1.755611, 1.9177375, -2.128069, 3.6536617, -0.42652816, 0.61156654, 1.8080094, -0.403194, -1.1395011, 1.8495706, 0.7491504, 2.4278529, -0.1439759, -3.7773452, -1.3451544, 0.82997453, -0.6612383, -0.4873631, 1.0520095, 0.8499466, 2.5908961, -1.1197119, -0.3099097, -1.2647022, -1.234008, -1.0153925, -0.64138174]","[-4.2843523, 0.40725216, -1.0089545, -1.6089526, 3.2338028, 0.43782735, -3.8267374, 0.78093004, 2.0031202, 1.9232932, 1.1051503, -0.32246077, 0.16876641, 0.75989157, 3.8388114, 0.2760758, -2.8349466, 1.0534799, 2.5516224, -0.36971122, 0.85365367, 0.22205403, 3.1565895, -0.9365587, -5.0141444, -1.2909131, -1.9089787, 2.737829, 0.5299401, -0.87360454, -0.8703842, -3.0046997, -1.0071584, 0.25618187, -1.5156262, -0.26061124, -1.4375249, 2.866227, -0.13878502, 0.65111816, 0.602515, -4.329333, -0.38985777, -1.755611, 1.9177375, -2.128069, 3.6536617, -0.42652816, 0.61156654, 1.8080094, -0.403194, -1.1395011, 1.8495706, 0.7491504, 2.4278529, -0.1439759, -3.7773452, -1.3451544, 0.82997453, -0.6612383, -0.4873631, 1.0520095, 0.8499466, 2.5908961, -1.1197119, -0.3099097, -1.2647022, -1.234008, -1.0153925, -0.64138174, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 2, 0, 0, 3, 0, 0, 0]"
DCOOH,[2H]C(=O)O,O=CO,O=CO,y,Jorgensen et al. (18),1.10E+15,15.04139269,"[-6.3371134, 1.2438756, -0.13896233, -1.6072834, 2.8267221, 1.0604738, -3.84936, 2.6577487, 2.2182758, 1.4097056, 1.6310315, -0.97089946, 1.3923671, 0.091359474, 1.6667385, -0.6730829, -3.2679224, 3.2921207, 3.0380487, -2.5881531, 0.6668427, -0.14718387, 4.261234, -2.8275962, -5.302568, -1.42032, -1.2040976, 3.3519528, 1.2970518, -1.9272858, -0.3903467, -2.6190398, -1.8969179, -0.33567724, -2.7753453, -0.29890722, -1.547433, 3.5878932, 0.47391295, 0.67730904, 1.4286994, -4.190976, -1.4045407, -3.1844556, 1.5064704, -1.7373717, 3.1154659, -0.4713753, 1.2421503, 2.1172905, -1.2860252, -1.9322894, 1.5588069, 2.4568074, 1.7748508, 0.42344928, -5.822615, -3.024013, -0.8033134, -0.03257405, -0.49828187, 0.4140487, 3.0301223, 3.977395, -1.944177, -0.09515664, -1.3539089, -0.2579475, -0.91051376, -1.0883265]","[-4.2843523, 0.40725216, -1.0089545, -1.6089526, 3.2338028, 0.43782735, -3.8267374, 0.78093004, 2.0031202, 1.9232932, 1.1051503, -0.32246077, 0.16876641, 0.75989157, 3.8388114, 0.2760758, -2.8349466, 1.0534799, 2.5516224, -0.36971122, 0.85365367, 0.22205403, 3.1565895, -0.9365587, -5.0141444, -1.2909131, -1.9089787, 2.737829, 0.5299401, -0.87360454, -0.8703842, -3.0046997, -1.0071584, 0.25618187, -1.5156262, -0.26061124, -1.4375249, 2.866227, -0.13878502, 0.65111816, 0.602515, -4.329333, -0.38985777, -1.755611, 1.9177375, -2.128069, 3.6536617, -0.42652816, 0.61156654, 1.8080094, -0.403194, -1.1395011, 1.8495706, 0.7491504, 2.4278529, -0.1439759, -3.7773452, -1.3451544, 0.82997453, -0.6612383, -0.4873631, 1.0520095, 0.8499466, 2.5908961, -1.1197119, -0.3099097, -1.2647022, -1.234008, -1.0153925, -0.64138174, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 2, 0, 1]"
HCOOD,[2H]OC=O,O=CO,O=CO,y,Jorgensen et al. (18),1.10E+15,15.04139269,"[-5.951703, 1.082119, -0.37574953, -1.4824421, 2.5814605, 0.69610304, -3.7077534, 2.8568873, 1.8979532, 0.6030969, 1.3718282, -1.6730691, 1.4895889, -0.56241083, 1.258091, -0.49627167, -2.7617154, 2.7331924, 3.665679, -2.3054848, 0.83276093, 0.27889246, 3.942143, -2.071298, -5.120152, -0.7801243, -0.97161186, 3.667333, 1.2797564, -1.7051215, -0.6135388, -2.894158, -2.610697, -0.955085, -1.869948, -0.3279742, -0.8454752, 3.1957586, 0.54693824, 0.6556854, 1.053329, -4.1185846, -0.9115995, -2.2179463, 1.1895401, -1.1238497, 3.9603028, -1.5041046, 1.5272317, 2.1489635, -1.4726423, -1.4064513, 0.9604461, 1.8262197, 1.298147, -0.61099344, -6.8827295, -3.35396, -0.087675095, -0.6685835, -1.0468918, 1.1221197, 2.8170743, 5.0848618, -1.3223195, -0.21849445, -1.1947609, -0.1863986, -0.70228994, -1.0772563]","[-4.2843523, 0.40725216, -1.0089545, -1.6089526, 3.2338028, 0.43782735, -3.8267374, 0.78093004, 2.0031202, 1.9232932, 1.1051503, -0.32246077, 0.16876641, 0.75989157, 3.8388114, 0.2760758, -2.8349466, 1.0534799, 2.5516224, -0.36971122, 0.85365367, 0.22205403, 3.1565895, -0.9365587, -5.0141444, -1.2909131, -1.9089787, 2.737829, 0.5299401, -0.87360454, -0.8703842, -3.0046997, -1.0071584, 0.25618187, -1.5156262, -0.26061124, -1.4375249, 2.866227, -0.13878502, 0.65111816, 0.602515, -4.329333, -0.38985777, -1.755611, 1.9177375, -2.128069, 3.6536617, -0.42652816, 0.61156654, 1.8080094, -0.403194, -1.1395011, 1.8495706, 0.7491504, 2.4278529, -0.1439759, -3.7773452, -1.3451544, 0.82997453, -0.6612383, -0.4873631, 1.0520095, 0.8499466, 2.5908961, -1.1197119, -0.3099097, -1.2647022, -1.234008, -1.0153925, -0.64138174, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 3, 0, 1, 0]"
CH3SH,CS,Main,Main,n,Drozdovskaya (18),4.80E+15,15.68,"[0.12197143, -0.8422973, 0.98373085, -0.3190415, 2.0193026, 0.13271087, 0.3706596, -0.26867807, 1.813674, 0.6940913, 0.25266734, 0.9103632, 0.80781734, -0.49014238, 0.3051638, 0.0779831, -0.95351934, -0.4035931, 1.8341382, -0.4300164, -0.06929227, 0.3870359, 0.52006596, 0.15383503, -0.84774315, -0.80891114, -0.102948904, -0.32509777, 1.1285473, -0.33360648, 1.5846939, -1.1335045, 0.9050797, 0.10075316, -0.24008018, -0.52648807, 0.2531964, 1.1487241, -0.3266168, 1.3534532, -1.779571, -1.5367223, -0.7557629, -1.3295292, 0.9486589, -1.5194931, 0.84401345, -1.0961343, 0.7020768, 0.47679487, -0.48056683, -0.5477466, -0.3491007, 0.6435635, 0.41557574, 0.36590034, -1.2927313, -0.0011483133, 0.8760336, 0.2296283, -1.3812537, 0.6999774, 0.88832784, 1.8668387, 0.85982513, -0.68679583, -0.08239105, 0.3894412, 0.81389195, 0.19890732]","[0.12197143, -0.8422973, 0.98373085, -0.3190415, 2.0193026, 0.13271087, 0.3706596, -0.26867807, 1.813674, 0.6940913, 0.25266734, 0.9103632, 0.80781734, -0.49014238, 0.3051638, 0.0779831, -0.95351934, -0.4035931, 1.8341382, -0.4300164, -0.06929227, 0.3870359, 0.52006596, 0.15383503, -0.84774315, -0.80891114, -0.102948904, -0.32509777, 1.1285473, -0.33360648, 1.5846939, -1.1335045, 0.9050797, 0.10075316, -0.24008018, -0.52648807, 0.2531964, 1.1487241, -0.3266168, 1.3534532, -1.779571, -1.5367223, -0.7557629, -1.3295292, 0.9486589, -1.5194931, 0.84401345, -1.0961343, 0.7020768, 0.47679487, -0.48056683, -0.5477466, -0.3491007, 0.6435635, 0.41557574, 0.36590034, -1.2927313, -0.0011483133, 0.8760336, 0.2296283, -1.3812537, 0.6999774, 0.88832784, 1.8668387, 0.85982513, -0.68679583, -0.08239105, 0.3894412, 0.81389195, 0.19890732, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
NO,[N]=O,Main,Main,n,Ligertink et al. (2017b),2.00E+16,16.3,"[-0.6009863, 0.76512045, 0.5291988, -0.43983278, 1.1915954, 0.10996631, -1.3841308, -0.11203441, 1.6617815, 0.95995176, 0.79112846, 0.17410079, 0.51562035, 0.4468214, 2.0138335, -0.44497308, -0.5895537, 0.7424158, 1.7209895, 0.18296918, -0.41170114, 0.44691077, 0.6299817, 0.06621562, -1.1869295, -1.0666629, -1.1796595, 0.9144087, 0.7890576, -0.77461815, 0.36934125, -1.2976309, -0.13500689, -0.33282584, -0.66608614, 1.0222187, -1.6321704, 2.0706408, -0.399969, 0.16984405, -0.59795696, -0.82045287, 0.84992206, -0.121917695, -0.06712192, -0.6789145, 0.68404937, -1.3698553, -0.41218546, 1.4832416, -0.6024103, -0.6468375, 0.742288, 0.112485975, 0.53664, 0.16586597, -1.0489476, -0.9937345, -0.8159342, -0.48183927, 0.020904332, -0.2995681, 1.3392484, 1.2801285, 0.3164485, -0.044912122, -1.5125996, -0.42045325, -1.0826421, 0.020706266]","[-0.6009863, 0.76512045, 0.5291988, -0.43983278, 1.1915954, 0.10996631, -1.3841308, -0.11203441, 1.6617815, 0.95995176, 0.79112846, 0.17410079, 0.51562035, 0.4468214, 2.0138335, -0.44497308, -0.5895537, 0.7424158, 1.7209895, 0.18296918, -0.41170114, 0.44691077, 0.6299817, 0.06621562, -1.1869295, -1.0666629, -1.1796595, 0.9144087, 0.7890576, -0.77461815, 0.36934125, -1.2976309, -0.13500689, -0.33282584, -0.66608614, 1.0222187, -1.6321704, 2.0706408, -0.399969, 0.16984405, -0.59795696, -0.82045287, 0.84992206, -0.121917695, -0.06712192, -0.6789145, 0.68404937, -1.3698553, -0.41218546, 1.4832416, -0.6024103, -0.6468375, 0.742288, 0.112485975, 0.53664, 0.16586597, -1.0489476, -0.9937345, -0.8159342, -0.48183927, 0.020904332, -0.2995681, 1.3392484, 1.2801285, 0.3164485, -0.044912122, -1.5125996, -0.42045325, -1.0826421, 0.020706266, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
CH3NCO,CN=C=O,Main,Main,n,Ligertink et al. (2017) (make sure correct),4.00E+15,15.6,"[1.4263514, 0.921404, 2.1009543, -2.0346017, 7.1542683, -1.1662381, -4.8517637, 2.6509416, 5.1845436, -0.10268038, 4.591727, -2.3939323, 1.2652949, 0.54352975, 3.7178743, -3.4425926, -2.2923276, 1.4785398, 1.8281898, -1.3095685, -1.2984202, 0.89817, -0.034904987, 1.121904, -3.9177437, -2.4162107, -4.0475597, 2.8772326, 3.3032053, -1.8715572, 0.20254348, -5.0046034, 2.479788, -0.68667597, -1.4594737, -0.105354264, -1.7321279, 3.2159634, -1.9417931, 0.2991438, 0.62919927, -2.7181463, -1.5286648, -0.036348477, 1.2513602, -5.6873074, 4.345044, -1.0203434, -0.9352716, 4.1029897, 1.909455, 0.4435513, 1.9958993, 2.2764788, 2.4124918, -0.10053222, -2.997332, 1.2064271, -2.7833889, -0.35169083, -0.09938377, 0.7372618, 1.3342178, 5.7586656, -2.2534697, -2.8869019, -0.7946678, 1.4323685, 0.13214692, -1.6015]","[1.4263514, 0.921404, 2.1009543, -2.0346017, 7.1542683, -1.1662381, -4.8517637, 2.6509416, 5.1845436, -0.10268038, 4.591727, -2.3939323, 1.2652949, 0.54352975, 3.7178743, -3.4425926, -2.2923276, 1.4785398, 1.8281898, -1.3095685, -1.2984202, 0.89817, -0.034904987, 1.121904, -3.9177437, -2.4162107, -4.0475597, 2.8772326, 3.3032053, -1.8715572, 0.20254348, -5.0046034, 2.479788, -0.68667597, -1.4594737, -0.105354264, -1.7321279, 3.2159634, -1.9417931, 0.2991438, 0.62919927, -2.7181463, -1.5286648, -0.036348477, 1.2513602, -5.6873074, 4.345044, -1.0203434, -0.9352716, 4.1029897, 1.909455, 0.4435513, 1.9958993, 2.2764788, 2.4124918, -0.10053222, -2.997332, 1.2064271, -2.7833889, -0.35169083, -0.09938377, 0.7372618, 1.3342178, 5.7586656, -2.2534697, -2.8869019, -0.7946678, 1.4323685, 0.13214692, -1.6015, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
aGg' - (CH2OH)2,OCCO,Main,Main,n,Jorgensen et al. (16),5.20E+16,16.72,"[-3.4335377, 2.1702495, -1.4523793, -0.15302743, 4.192414, 0.6268252, -5.4231462, 0.47349596, 3.1570034, 3.841373, 1.9429681, -3.055963, 0.6111015, 3.089204, 3.3331394, 0.73849714, -5.3867593, -0.4997785, 3.554605, -1.1236649, 2.262304, -0.64482313, 4.110722, 1.3966966, -6.0047445, -2.8969655, -2.8015294, 1.574564, 3.430512, 0.07278457, 2.7481089, -2.4854264, -1.6920642, -0.9583691, 1.534446, 0.7019497, -4.9277816, 1.615773, -1.2141455, 2.231921, 0.6441864, 0.23216826, 0.036097016, 0.6063036, 5.4027305, -4.9159937, 6.095113, -2.8214746, 1.0431883, 0.7733574, -1.3932209, -1.2645543, 0.7879746, -0.37237042, 2.3505707, -1.7956405, -3.2483995, -1.0935915, 0.48811138, -0.02382683, -0.9821264, 0.93622994, 2.0287342, 7.2872877, 0.63992655, -2.3796897, 0.3935001, 1.7759256, -0.39223927, 2.053556]","[-3.4335377, 2.1702495, -1.4523793, -0.15302743, 4.192414, 0.6268252, -5.4231462, 0.47349596, 3.1570034, 3.841373, 1.9429681, -3.055963, 0.6111015, 3.089204, 3.3331394, 0.73849714, -5.3867593, -0.4997785, 3.554605, -1.1236649, 2.262304, -0.64482313, 4.110722, 1.3966966, -6.0047445, -2.8969655, -2.8015294, 1.574564, 3.430512, 0.07278457, 2.7481089, -2.4854264, -1.6920642, -0.9583691, 1.534446, 0.7019497, -4.9277816, 1.615773, -1.2141455, 2.231921, 0.6441864, 0.23216826, 0.036097016, 0.6063036, 5.4027305, -4.9159937, 6.095113, -2.8214746, 1.0431883, 0.7733574, -1.3932209, -1.2645543, 0.7879746, -0.37237042, 2.3505707, -1.7956405, -3.2483995, -1.0935915, 0.48811138, -0.02382683, -0.9821264, 0.93622994, 2.0287342, 7.2872877, 0.63992655, -2.3796897, 0.3935001, 1.7759256, -0.39223927, 2.053556, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
CH3CHO,CC=O,Main,Main,n,Jorgensen et al. (18),1.20E+17,17.08,"[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504]","[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CH3CDO,[2H]C(C)=O,CC=O,CC=O,y,Jorgensen et al. (18),9.60E+15,15.98227123,"[-5.2578855, 0.9885383, 0.24893928, -1.3796425, 3.5684311, 1.5351434, -3.167085, 2.7955837, 2.0918515, 0.6660758, 2.3904123, -0.26147217, 1.8136592, -0.32212484, 1.0883974, -0.73645484, -4.254706, 4.44929, 2.8262029, -2.9029057, -0.56158805, 0.08582839, 3.0790796, -2.399462, -4.899315, -2.2116258, -1.1820135, 3.2140849, 1.4298435, -1.2928183, 0.5106463, -2.1244226, -0.8665811, -0.79104704, -2.8962636, -0.14582473, -1.3852854, 3.5589583, 0.23802575, -0.094984174, 0.42466232, -3.7739801, -0.7497061, -4.135636, 0.6980772, -1.7104558, 2.5389018, 0.55329347, 1.0491257, 1.5981851, -1.7196581, -2.2648728, 1.8501546, 3.122367, 1.4897645, 2.1283984, -5.587154, -2.6219125, -1.9896094, -0.5711752, -0.1957635, 0.19386928, 2.9691398, 4.712424, -1.8562545, 0.22848019, 0.15329966, 1.0604681, -0.88387144, -1.0047033]","[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 1, 1, 1]"
(13C)H3CHO,[13CH3]C=O,CC=O,CC=O,y,Jorgensen et al. (18),1.80E+15,15.25527251,"[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504]","[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 3, 0, 0, 0]"
CH3(13C)HO,C[13CH]=O,CC=O,CC=O,y,Jorgensen et al. (18),1.80E+15,15.25527251,"[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504]","[-2.5140278, 0.13065019, -0.6287278, -0.9602413, 3.9290254, 0.68100667, -2.870499, 1.0741194, 1.6525911, 1.0858893, 2.0300446, 0.72671247, 0.99732137, 0.38066435, 3.471517, 0.47339153, -3.8067546, 1.9993712, 2.0548866, -0.7979047, -0.4890032, 0.0928773, 1.8394923, -0.40267533, -5.0078073, -1.9043669, -1.4477501, 2.3028007, 1.0623995, -0.6378033, 0.16053018, -2.9335241, 0.3925027, -0.14177762, -1.7860414, -0.078452505, -1.3210931, 2.813409, -0.7058298, 0.026677847, -0.0901874, -3.6525764, 0.455594, -2.5648513, 0.89151585, -2.0164747, 2.9827523, 0.95021236, 0.31185123, 1.1212571, -0.89738023, -1.0569057, 1.9103742, 1.7483348, 2.0106258, 1.9640992, -3.1425197, -0.75226635, -0.03683731, -0.86892414, -0.39264604, 1.1490736, 0.935754, 3.4006004, -0.77136976, -0.34084162, 0.096734196, 0.087673515, -0.8118764, -0.6363504, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 3, 0, 0, 0]"
CH3C(O)NH2,CC(N)=O,Main,Main,n,Ligertink et al. (2018),9.00E+14,14.95,"[-2.5569286, -0.85687035, -0.20885377, -1.1873785, 4.0933404, -1.4025781, -2.5289798, 0.67848676, 3.0263171, 1.7961856, 5.74008, -1.3173193, 3.5071182, 0.7494325, 4.708583, -0.8216307, -4.4474525, 1.6290118, 4.671252, -0.9854398, -1.4484553, 1.0478526, 2.1615558, -0.50942534, -1.5425678, -4.296492, -1.0418043, 0.47588134, 3.7204359, 0.73337305, -0.7262535, -4.4427495, 1.0451367, -3.3594823, 1.7005286, -0.9824329, -3.2668266, 1.9268835, 0.6578394, 1.4854212, -2.1396496, -1.5799075, 0.20678103, 0.058364138, 2.1509953, -1.9870057, 5.0412455, -0.7310815, 2.0880632, 1.6207557, -2.1919904, -0.34690553, 0.83790684, 0.36854926, 2.0900533, 1.2724106, -2.394305, -1.3897663, -0.6005274, -1.4039329, -2.4352582, 1.1481526, 2.2075806, 4.2933536, -0.29615608, -1.9588083, 0.72138184, 0.43081522, -1.3460424, -0.8019432]","[-2.5569286, -0.85687035, -0.20885377, -1.1873785, 4.0933404, -1.4025781, -2.5289798, 0.67848676, 3.0263171, 1.7961856, 5.74008, -1.3173193, 3.5071182, 0.7494325, 4.708583, -0.8216307, -4.4474525, 1.6290118, 4.671252, -0.9854398, -1.4484553, 1.0478526, 2.1615558, -0.50942534, -1.5425678, -4.296492, -1.0418043, 0.47588134, 3.7204359, 0.73337305, -0.7262535, -4.4427495, 1.0451367, -3.3594823, 1.7005286, -0.9824329, -3.2668266, 1.9268835, 0.6578394, 1.4854212, -2.1396496, -1.5799075, 0.20678103, 0.058364138, 2.1509953, -1.9870057, 5.0412455, -0.7310815, 2.0880632, 1.6207557, -2.1919904, -0.34690553, 0.83790684, 0.36854926, 2.0900533, 1.2724106, -2.394305, -1.3897663, -0.6005274, -1.4039329, -2.4352582, 1.1481526, 2.2075806, 4.2933536, -0.29615608, -1.9588083, 0.72138184, 0.43081522, -1.3460424, -0.8019432, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
SO,O=S,Main,Main,n,Drozdovskaya (18),4.40E+14,14.64,"[-1.1949636, -0.20450902, 1.0800139, -0.59290874, 1.0774766, -1.0363009, -1.0616316, -0.1723475, 0.549117, 0.7571333, 1.1304176, -0.20223895, 0.14476377, -0.18134436, 1.1982734, -0.2642065, -0.1647566, -0.12535165, 2.6167736, -0.07576814, 0.31094792, 1.531507, 0.19290957, -0.37682745, -0.688773, -0.008094311, -0.76847345, 1.1021568, 0.19959742, -0.27758896, 0.27135524, -1.4591936, 1.663803, -0.62434924, 0.66664433, -0.8284435, -1.3543153, 0.69888604, -0.3084691, 0.112544596, -0.5738598, -1.8087746, 0.70177937, -1.4608792, 0.8512453, -1.1497834, 0.5546408, -1.2858582, -1.0913849, 1.6974809, -0.48813117, -0.012046106, -0.0023179352, 1.4331479, 0.35354596, 0.30265135, -1.2197633, 0.25151575, -0.013927251, 0.038096428, -1.3487412, 0.6123662, 0.4930876, 1.3008403, 0.69407, -1.8025353, 1.1386762, 0.3167193, -0.07127488, -0.22776328]","[-1.1949636, -0.20450902, 1.0800139, -0.59290874, 1.0774766, -1.0363009, -1.0616316, -0.1723475, 0.549117, 0.7571333, 1.1304176, -0.20223895, 0.14476377, -0.18134436, 1.1982734, -0.2642065, -0.1647566, -0.12535165, 2.6167736, -0.07576814, 0.31094792, 1.531507, 0.19290957, -0.37682745, -0.688773, -0.008094311, -0.76847345, 1.1021568, 0.19959742, -0.27758896, 0.27135524, -1.4591936, 1.663803, -0.62434924, 0.66664433, -0.8284435, -1.3543153, 0.69888604, -0.3084691, 0.112544596, -0.5738598, -1.8087746, 0.70177937, -1.4608792, 0.8512453, -1.1497834, 0.5546408, -1.2858582, -1.0913849, 1.6974809, -0.48813117, -0.012046106, -0.0023179352, 1.4331479, 0.35354596, 0.30265135, -1.2197633, 0.25151575, -0.013927251, 0.038096428, -1.3487412, 0.6123662, 0.4930876, 1.3008403, 0.69407, -1.8025353, 1.1386762, 0.3167193, -0.07127488, -0.22776328, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
CO,[C-]#[O+],Main,Main,n,Drozdovskaya (19),1.00E+20,20,"[1.3695064, 0.88627744, 4.0873847, 0.103379145, -0.12702659, 0.075609416, -0.5094648, 2.1266525, 3.4996789, 2.4984202, -0.5757253, 0.4829058, 0.4711895, 0.1972152, 3.0926614, 0.8800732, 1.372844, 2.0558398, 4.6497965, 0.68064785, -1.0565996, 0.266812, 0.23898508, -0.35747012, -0.18219534, 0.9530047, 0.78409517, 2.7267332, 0.64722806, -2.3887322, -0.053023692, -0.18072243, 0.25584012, 0.11475918, -2.653389, 1.2264055, -1.4310408, 1.947665, -0.5886766, 1.7347853, 0.42343396, -2.2536416, 1.5640669, -1.2819766, -1.9484142, 0.2769828, 0.5829179, 0.5264785, -1.2694125, 1.0257821, -0.6144099, -0.18425351, -2.6923637, -0.116647065, 0.86795956, -0.63627195, -3.5200336, 0.3009872, 0.31811374, -0.09917462, 1.0903504, -0.4864707, 3.0734417, 1.2390528, 0.61272395, -0.052924186, -2.0639422, -0.8864837, -0.33803496, -2.6257687]","[1.3695064, 0.88627744, 4.0873847, 0.103379145, -0.12702659, 0.075609416, -0.5094648, 2.1266525, 3.4996789, 2.4984202, -0.5757253, 0.4829058, 0.4711895, 0.1972152, 3.0926614, 0.8800732, 1.372844, 2.0558398, 4.6497965, 0.68064785, -1.0565996, 0.266812, 0.23898508, -0.35747012, -0.18219534, 0.9530047, 0.78409517, 2.7267332, 0.64722806, -2.3887322, -0.053023692, -0.18072243, 0.25584012, 0.11475918, -2.653389, 1.2264055, -1.4310408, 1.947665, -0.5886766, 1.7347853, 0.42343396, -2.2536416, 1.5640669, -1.2819766, -1.9484142, 0.2769828, 0.5829179, 0.5264785, -1.2694125, 1.0257821, -0.6144099, -0.18425351, -2.6923637, -0.116647065, 0.86795956, -0.63627195, -3.5200336, 0.3009872, 0.31811374, -0.09917462, 1.0903504, -0.4864707, 3.0734417, 1.2390528, 0.61272395, -0.052924186, -2.0639422, -0.8864837, -0.33803496, -2.6257687, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
C(17O),[C-]#[17O+],[C-]#[O+],[C-]#[O+],y,Drozdovskaya (19),5.00E+16,16.69897,"[0.31706727, 0.44704235, 1.2042252, -0.24898748, 0.3189075, 0.6793498, -0.14576037, 1.0046988, 1.7088538, 0.9156272, 0.0069245854, 0.13339148, -0.20390195, 0.16424963, 0.6815017, -0.31313002, -0.13145141, 0.41699627, 1.3236653, 0.4929924, -0.380997, 0.2888866, 0.38418514, 0.35412768, 0.3721636, 0.028488494, 0.16450104, 0.8332442, 0.34876716, -0.575684, 0.18346211, -0.1833307, 0.35618466, -0.54902387, -1.3527001, 0.35392845, -0.40754592, 1.2555175, -0.36282125, 0.43503368, 0.24607775, -0.5464816, 0.19219561, -0.31458312, -0.6590358, 0.08135907, -0.35747313, 0.066198036, -0.40936655, 0.363196, -0.48544627, 0.060921807, -0.39750803, -0.17455167, 0.32462436, -0.24604115, -0.6725043, -0.14100032, -0.120339945, -0.45546898, 0.13779062, 0.11730655, 1.0242323, 1.0332711, 0.1716481, 0.5248135, -1.1446321, 0.16567384, 0.073400974, -0.9072622]","[1.3695064, 0.88627744, 4.0873847, 0.103379145, -0.12702659, 0.075609416, -0.5094648, 2.1266525, 3.4996789, 2.4984202, -0.5757253, 0.4829058, 0.4711895, 0.1972152, 3.0926614, 0.8800732, 1.372844, 2.0558398, 4.6497965, 0.68064785, -1.0565996, 0.266812, 0.23898508, -0.35747012, -0.18219534, 0.9530047, 0.78409517, 2.7267332, 0.64722806, -2.3887322, -0.053023692, -0.18072243, 0.25584012, 0.11475918, -2.653389, 1.2264055, -1.4310408, 1.947665, -0.5886766, 1.7347853, 0.42343396, -2.2536416, 1.5640669, -1.2819766, -1.9484142, 0.2769828, 0.5829179, 0.5264785, -1.2694125, 1.0257821, -0.6144099, -0.18425351, -2.6923637, -0.116647065, 0.86795956, -0.63627195, -3.5200336, 0.3009872, 0.31811374, -0.09917462, 1.0903504, -0.4864707, 3.0734417, 1.2390528, 0.61272395, -0.052924186, -2.0639422, -0.8864837, -0.33803496, -2.6257687, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
HONO,O=NO,Main,Main,n,Coutens et al. (19),9.00E+14,14.95,"[-3.3285553, 0.8857641, 0.4385534, -1.6608123, 2.2697577, -0.38135636, -5.3052316, 2.146947, 4.1628394, -0.6649455, 2.531152, -1.125809, 0.44895807, 0.30964437, 1.896449, -2.5393019, -2.3782983, 2.1150985, 3.934679, -0.7732538, 1.3591082, -0.47044626, 1.4040657, -0.11366249, -3.0462897, -1.2490606, -1.1996312, 0.4813996, 1.8679603, -0.3495314, -1.1910013, -3.8392804, 0.5459402, -1.6022748, -0.6363451, 0.42899722, -0.7431474, 1.4542229, -0.8791187, -0.073412344, -0.45697534, -1.4065876, -1.3334005, 0.15798932, 0.77662814, -3.0942974, 4.7180214, -2.1129804, 0.7804094, 3.3973303, 0.16562569, 0.82958055, 1.1772937, 0.47720283, 1.443511, -2.108344, -2.5628622, 0.41694754, 1.5349295, -0.94301146, -1.3643363, 2.410459, -0.31054676, 3.4787502, -1.6495079, -1.5547762, -0.16594195, -0.0005457194, 0.9166396, -1.4434748]","[-3.3285553, 0.8857641, 0.4385534, -1.6608123, 2.2697577, -0.38135636, -5.3052316, 2.146947, 4.1628394, -0.6649455, 2.531152, -1.125809, 0.44895807, 0.30964437, 1.896449, -2.5393019, -2.3782983, 2.1150985, 3.934679, -0.7732538, 1.3591082, -0.47044626, 1.4040657, -0.11366249, -3.0462897, -1.2490606, -1.1996312, 0.4813996, 1.8679603, -0.3495314, -1.1910013, -3.8392804, 0.5459402, -1.6022748, -0.6363451, 0.42899722, -0.7431474, 1.4542229, -0.8791187, -0.073412344, -0.45697534, -1.4065876, -1.3334005, 0.15798932, 0.77662814, -3.0942974, 4.7180214, -2.1129804, 0.7804094, 3.3973303, 0.16562569, 0.82958055, 1.1772937, 0.47720283, 1.443511, -2.108344, -2.5628622, 0.41694754, 1.5349295, -0.94301146, -1.3643363, 2.410459, -0.31054676, 3.4787502, -1.6495079, -1.5547762, -0.16594195, -0.0005457194, 0.9166396, -1.4434748, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
SO2,O=S=O,Main,Main,n,Drozdovskaya (18),1.30E+15,15.11,"[-2.6178026, -2.5847244, 2.3014004, -2.0311942, 1.9899375, -0.65852225, -4.3782406, 1.7320877, 3.1358824, 2.4747362, 2.0341501, -0.6153729, 1.4610838, 0.120616995, 3.8401043, 0.34460425, -2.2231548, 1.4646754, 1.4291186, 0.57776666, -1.3846784, 1.5754464, 0.42547995, 0.29820347, -1.9760079, 2.4347963, -2.0723414, -0.10966073, 0.32902727, 0.08836332, -0.2286008, -2.7874608, 2.2616866, 0.7658025, 0.6824516, 0.22115368, 0.6282793, 1.2694459, -0.46024063, 1.4150827, -2.6362653, -2.534671, 0.16847154, 0.57467824, 0.11098297, -2.3503442, 2.1071615, -1.938621, -1.4596477, 4.06392, -1.4995849, -1.6350868, -0.35199055, 3.011463, -0.39127246, -0.055063978, -5.1746845, -0.69045377, -0.2568066, -1.114102, -1.9251132, 2.798351, 1.2823781, 3.1374803, -0.8333368, -1.5264914, 1.6157582, -0.3153533, 1.1812856, -1.2668377]","[-2.6178026, -2.5847244, 2.3014004, -2.0311942, 1.9899375, -0.65852225, -4.3782406, 1.7320877, 3.1358824, 2.4747362, 2.0341501, -0.6153729, 1.4610838, 0.120616995, 3.8401043, 0.34460425, -2.2231548, 1.4646754, 1.4291186, 0.57776666, -1.3846784, 1.5754464, 0.42547995, 0.29820347, -1.9760079, 2.4347963, -2.0723414, -0.10966073, 0.32902727, 0.08836332, -0.2286008, -2.7874608, 2.2616866, 0.7658025, 0.6824516, 0.22115368, 0.6282793, 1.2694459, -0.46024063, 1.4150827, -2.6362653, -2.534671, 0.16847154, 0.57467824, 0.11098297, -2.3503442, 2.1071615, -1.938621, -1.4596477, 4.06392, -1.4995849, -1.6350868, -0.35199055, 3.011463, -0.39127246, -0.055063978, -5.1746845, -0.69045377, -0.2568066, -1.114102, -1.9251132, 2.798351, 1.2823781, 3.1374803, -0.8333368, -1.5264914, 1.6157582, -0.3153533, 1.1812856, -1.2668377, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
(34S)O2,O=[34S]=O,O=S=O,O=S=O,y,Drozdovskaya et al. (18),4.00E+14,14.60205999,"[-2.1771107, 0.29786956, 0.09040763, -0.63020146, 1.8258264, 0.030762492, -1.4342855, 0.55180246, 1.1279005, 0.76097566, 0.8895248, 0.50913596, 0.724607, 0.3290258, 1.5864329, 0.011875227, -1.0629704, 1.0382056, 1.3090911, -0.5055106, -0.17150088, 0.37106693, 0.80644345, 0.10767857, -1.8356844, -0.8171258, -0.9415436, 0.09202528, 0.5930662, -0.45967472, 0.05641339, -1.8004856, 0.44053662, 0.039753146, 0.5271794, 0.22769757, -0.91580737, 1.7845532, -0.5457201, -0.2646021, -0.22314233, -1.1476657, 0.6285999, -0.8673106, -0.40547517, -0.97921956, 1.8338606, -0.44182405, -0.7313169, 1.1506011, -0.50840884, 0.042283554, 0.4891012, 0.179883, 0.6790174, 0.24402347, -1.3699281, -1.452153, -1.4084672, -0.46297535, -0.38046616, -0.1290411, 0.831561, 0.953702, -0.1122053, -0.21775284, 0.3806239, 0.19528463, -0.84425473, -0.93427]","[-2.6178026, -2.5847244, 2.3014004, -2.0311942, 1.9899375, -0.65852225, -4.3782406, 1.7320877, 3.1358824, 2.4747362, 2.0341501, -0.6153729, 1.4610838, 0.120616995, 3.8401043, 0.34460425, -2.2231548, 1.4646754, 1.4291186, 0.57776666, -1.3846784, 1.5754464, 0.42547995, 0.29820347, -1.9760079, 2.4347963, -2.0723414, -0.10966073, 0.32902727, 0.08836332, -0.2286008, -2.7874608, 2.2616866, 0.7658025, 0.6824516, 0.22115368, 0.6282793, 1.2694459, -0.46024063, 1.4150827, -2.6362653, -2.534671, 0.16847154, 0.57467824, 0.11098297, -2.3503442, 2.1071615, -1.938621, -1.4596477, 4.06392, -1.4995849, -1.6350868, -0.35199055, 3.011463, -0.39127246, -0.055063978, -5.1746845, -0.69045377, -0.2568066, -1.114102, -1.9251132, 2.798351, 1.2823781, 3.1374803, -0.8333368, -1.5264914, 1.6157582, -0.3153533, 1.1812856, -1.2668377, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
C3H4O2,O=CC=CO,Main,Main,n,Coutens et al. (22),1.00E+15,15,"[-7.586752, -0.35837653, -0.7771295, -2.9906983, 4.9630637, 2.0340843, -6.6391573, 0.99845994, 3.4941418, 2.6527839, 1.4991359, -0.41839737, 0.65273196, 2.4439173, 6.5212183, 0.92237246, -5.4520087, 3.3460689, 3.099032, -1.3184171, 0.29621887, -1.0826023, 4.9619823, -1.3316871, -6.656251, -2.5650454, -3.4583228, 4.931287, 1.2205582, -1.5392047, -0.26511723, -3.0849752, -1.2007612, 0.31905594, -4.310193, -1.6697634, -2.65062, 3.5098302, -0.38270038, 0.29118317, 1.173767, -7.148849, -0.92911005, -4.9451437, 2.956463, -4.2194467, 6.157879, 0.99532646, 1.4470261, 2.2275043, -1.8509685, -1.9185979, 3.1745381, 3.3716636, 4.973633, 2.2179532, -5.2136436, -1.7828755, 0.09502718, 0.2948645, 0.608125, 0.8367967, 1.5535772, 4.3101983, -3.2907722, -0.54651445, -1.3252999, -0.32342237, -1.0224582, -1.479892]","[-7.586752, -0.35837653, -0.7771295, -2.9906983, 4.9630637, 2.0340843, -6.6391573, 0.99845994, 3.4941418, 2.6527839, 1.4991359, -0.41839737, 0.65273196, 2.4439173, 6.5212183, 0.92237246, -5.4520087, 3.3460689, 3.099032, -1.3184171, 0.29621887, -1.0826023, 4.9619823, -1.3316871, -6.656251, -2.5650454, -3.4583228, 4.931287, 1.2205582, -1.5392047, -0.26511723, -3.0849752, -1.2007612, 0.31905594, -4.310193, -1.6697634, -2.65062, 3.5098302, -0.38270038, 0.29118317, 1.173767, -7.148849, -0.92911005, -4.9451437, 2.956463, -4.2194467, 6.157879, 0.99532646, 1.4470261, 2.2275043, -1.8509685, -1.9185979, 3.1745381, 3.3716636, 4.973633, 2.2179532, -5.2136436, -1.7828755, 0.09502718, 0.2948645, 0.608125, 0.8367967, 1.5535772, 4.3101983, -3.2907722, -0.54651445, -1.3252999, -0.32342237, -1.0224582, -1.479892, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 5, 0, 0, 0]"
CH2CO,C=C=O,Main,Main,n,Jorgensen et al. (18),4.80E+16,16.68,"[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842]","[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CHDCO,[2H]C=C=O,C=C=O,C=C=O,y,Jorgensen et al. (18),2.00E+15,15.30103,"[-2.8882043, 3.1306634, 3.3330095, -2.4627545, 3.270171, 1.1488222, -3.308771, 3.735961, 3.5343552, 0.7312604, 3.9441285, -0.7373893, 3.0053647, 1.6561512, 1.7951705, -2.879929, -1.1443723, 2.8002415, 2.7348113, -2.8998137, -3.4901562, 1.3778293, 0.09317917, -0.95045936, -1.4981991, 0.0639081, -0.97368866, 3.599689, 1.9465363, -3.8945005, 1.5922313, -1.8868054, -0.73641, -0.3599427, -0.676815, 0.101020135, -0.86361176, 2.3172135, -0.7278747, 0.60519326, 1.7266712, -2.1921768, -0.03855163, -2.0931587, 0.5285391, -0.13970947, 5.122188, -2.4171886, 0.7629234, 2.7597418, -0.6858027, -0.17415836, 0.7661378, 3.4922588, 2.0421498, -0.43576163, -5.5327783, -1.567549, -4.060014, -0.16144109, 0.5286796, -0.7623034, 4.758384, 5.0739427, -0.51886797, -2.0680656, -0.3397118, -0.38033396, -1.0946497, -2.610711]","[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 0, 1, 0]"
(13)CH2CO,[13CH2]=C=O,C=C=O,C=C=O,y,Jorgensen et al. (18),7.10E+14,14.85125835,"[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842]","[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 3, 0, 0, 0]"
CH2(13C)O,C=[13C]=O,C=C=O,C=C=O,y,Jorgensen et al. (18),7.10E+14,14.85125835,"[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842]","[-0.4177385, 1.9045112, 2.1475246, -2.2495484, 4.627482, 0.32667834, -3.8715913, 1.988004, 3.0406175, 0.79359376, 3.2580266, -0.8923757, 1.5855095, 3.0138261, 3.583942, -1.3183863, -0.7524767, 0.7956617, 0.7898937, -1.1735001, -2.6108055, 1.3047733, -0.8768008, 1.1810762, -1.8900357, -0.14309788, -2.1736405, 2.9567142, 1.7063636, -2.2605906, 0.74932694, -2.0205498, 0.6466799, 0.20776898, 0.3097753, -0.08986828, -1.5452869, 2.5997126, -1.3746346, 0.8400297, 1.3685254, -2.2126071, 0.5599509, -1.0352261, 0.70018727, -1.4944407, 4.800615, -1.3694254, -0.5885193, 2.0252311, -0.23335797, 0.02798301, 1.058179, 2.0187519, 2.5381918, -0.17332275, -3.2247438, -0.24875218, -2.7183332, -0.5902235, 0.68621653, -0.6530325, 2.843518, 3.2856715, -0.49458948, -2.5058968, 0.1822406, -0.9708715, -1.2381405, -2.233842, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 3, 0, 0, 0]"
CH3CN,CC#N,Main,Main,n,Calcutt et al. (2018b),4.00E+16,16.6,"[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263]","[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
(13C)H3CN,[13CH3]C#N,CC#N,CC#N,y,Calcutt et al. (2018b),6.00E+14,14.77815125,"[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263]","[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 3, 0, 0, 0]"
CH3(13C)N,C[13C]#N,CC#N,CC#N,y,Calcutt et al. (2018b),5.00E+14,14.69897,"[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263]","[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CH3C(15N),CC#[15N],CC#N,CC#N,y,Calcutt et al. (2018b),1.60E+14,14.20411998,"[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263]","[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CH2DCN,[2H]CC#N,CC#N,CC#N,y,Calcutt et al. (2018b),1.40E+15,15.14612804,"[-0.8961605, 1.9345998, 0.82901067, -0.017326057, 3.417981, -0.051461115, -2.4651265, 2.3921669, 3.763498, 0.2031197, 3.580116, -0.25878647, 3.7239294, -0.004318446, 0.85667443, -0.8965523, -2.5541432, 3.4028008, 5.4832535, -1.0405698, -0.95251966, 1.8490951, 2.299585, -1.307353, -3.780857, -4.1742406, -1.533814, 2.4783678, 3.6505957, -1.2289965, 2.5209236, -1.3837044, -2.5889707, -2.97003, -2.6685376, 0.9432839, -1.6896734, 5.665722, -1.2101696, 0.9218541, -1.2318559, -0.8411555, 1.1123552, -0.17743051, 1.4276133, 0.42310694, 0.15825135, -4.3051577, 1.6883119, 2.8416529, -1.2977875, -2.785214, 1.3258646, 1.2304103, -0.105243415, -0.36872244, -5.13137, -2.100632, -5.3600817, -1.3157679, 0.22394797, 0.29257458, 4.239367, 7.1434326, 0.110359654, -1.1592412, -4.9563723, 0.82146484, -1.7782195, 0.55458874]","[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 0, 1, 0]"
CHD2CN,[2H]C([2H])C#N,CC#N,CC#N,y,Calcutt et al. (2018b),2.00E+14,14.30103,"[-2.412898, 2.066259, 1.3906133, 0.6267478, 4.090372, 0.5927521, -2.5934508, 3.5968366, 4.1876006, -0.14448622, 4.030068, -0.75287753, 4.660741, -1.0797036, -2.025482, -1.733038, -3.313988, 4.8162746, 7.252482, -2.9930034, -0.7921275, 2.1182668, 3.6021209, -2.7276983, -4.1830897, -5.053893, 0.02655524, 2.8955202, 4.04249, -1.282098, 3.115922, -1.722233, -3.1622949, -3.9019213, -3.3416178, 0.47629765, -1.170501, 6.5745525, -0.6619009, 1.5922934, -1.3391907, -1.0770576, 1.2486606, -0.9482002, 1.9694014, 1.7640904, 0.0982061, -5.15688, 2.8097148, 2.5673146, -1.5499271, -3.4232044, 0.78643745, 2.073963, -1.0365416, -0.36464977, -7.3048873, -3.7208645, -6.9035726, -1.8898028, 0.18167362, 1.0285008, 5.4750094, 9.129929, -0.386416, -1.093993, -5.4768476, 1.8943598, -1.5404814, 0.14984879]","[0.9233338, 1.3846664, 0.09430134, 0.011827499, 3.3406675, -0.44834444, -3.287119, 0.9986994, 3.3744903, 0.8465509, 2.834501, -0.38929957, 2.2708163, 2.0058722, 3.5145795, 0.3361144, -2.6271708, 1.4731603, 2.8990984, 1.3924382, -0.9209193, 1.5242312, 1.4630718, 1.038248, -3.8599217, -3.6140797, -2.6572082, 2.4188876, 3.2849226, -1.1739101, 1.7112596, -1.8458272, -1.5898331, -1.5500505, -1.7392879, 1.3427985, -2.7835622, 4.6967626, -1.4005734, 0.6363788, -1.149415, -0.7910249, 1.6824838, 1.0082275, 1.8358696, -0.8768718, 0.6795648, -2.8546689, 0.6704958, 2.7147794, -0.7393031, -1.813082, 1.3639715, 0.6743154, 1.3149573, -0.22726978, -2.5735364, -0.28092018, -3.3790286, -1.0332546, 0.3300283, 0.0389048, 2.9016914, 5.8025527, 0.48605266, -1.2662454, -4.378443, 0.15516073, -2.4583616, 1.3022263, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 3, 0, 1, 0]"
C3H6,C=CC,Main,Main,n,Manigand et al. (20),4.20E+16,16.62,"[-3.142677, 0.45593625, 0.9588221, -1.4024658, 3.0899782, 1.1873087, -3.2533746, 0.386155, 1.3780916, 1.4193075, 2.3957126, 0.4449974, 0.8742292, 1.861173, 2.5205605, 0.4469332, -4.02101, 1.8653483, 1.8442833, -1.8660859, -1.5023173, -1.1030177, 0.6121769, 0.63316214, -1.9922076, -2.1153283, -0.3735595, 3.343078, 1.0085908, -2.5577192, 1.6454768, -1.4319319, 0.07884598, -0.6861087, -1.5086035, -0.07732756, -1.9284182, 0.9434936, -1.671742, -0.39612347, -0.21498534, -1.9571888, 1.4100213, -2.0503745, 1.1612033, -1.5652071, 4.4175887, 0.38516313, 0.84709954, 0.4767046, -2.1205935, -0.82247096, 0.8605217, 2.8271663, 2.73139, 2.3504057, -2.0943432, 0.49901232, 0.46122065, -1.41799, -0.58502114, 0.8417169, 1.9765334, 3.6461942, -0.15073134, 0.18294609, 2.26429, 1.0260518, -0.8672191, -1.0018222]","[-3.142677, 0.45593625, 0.9588221, -1.4024658, 3.0899782, 1.1873087, -3.2533746, 0.386155, 1.3780916, 1.4193075, 2.3957126, 0.4449974, 0.8742292, 1.861173, 2.5205605, 0.4469332, -4.02101, 1.8653483, 1.8442833, -1.8660859, -1.5023173, -1.1030177, 0.6121769, 0.63316214, -1.9922076, -2.1153283, -0.3735595, 3.343078, 1.0085908, -2.5577192, 1.6454768, -1.4319319, 0.07884598, -0.6861087, -1.5086035, -0.07732756, -1.9284182, 0.9434936, -1.671742, -0.39612347, -0.21498534, -1.9571888, 1.4100213, -2.0503745, 1.1612033, -1.5652071, 4.4175887, 0.38516313, 0.84709954, 0.4767046, -2.1205935, -0.82247096, 0.8605217, 2.8271663, 2.73139, 2.3504057, -2.0943432, 0.49901232, 0.46122065, -1.41799, -0.58502114, 0.8417169, 1.9765334, 3.6461942, -0.15073134, 0.18294609, 2.26429, 1.0260518, -0.8672191, -1.0018222, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CH3CH2OH,CCO,Main,Main,n,Jorgensen et al. (18),2.30E+17,17.36,"[-1.3597348, 1.4009056, -1.3490344, -0.30872804, 3.96212, 0.34184968, -3.134173, 0.111702286, 1.4343486, 2.696896, 2.1388326, -1.5498546, 1.4222018, 0.80646324, 1.971213, 1.0862609, -3.7154076, -0.26439643, 2.9038057, -0.9563616, 1.371105, -0.10958931, 2.3162754, 0.8257591, -4.746022, -1.837398, -1.7946994, 1.4751153, 3.0271978, -0.058464527, 1.3814309, -2.6542668, -0.6309733, -0.97990996, 0.17388344, 0.21822907, -2.2246006, 1.9873189, -1.5439304, 1.2409858, -0.27407157, -0.27916333, 0.16510917, -0.367702, 1.9291272, -2.0858808, 3.5739198, -1.1233846, 0.74157804, 1.049739, -1.5345025, -0.4627235, 0.40122676, 0.09314364, 1.4940476, -1.189565, -1.8592218, -0.040105104, -0.41718102, 0.11527308, -1.1297174, 1.5648867, 1.4639426, 5.3168864, 0.8857627, -1.4699423, 0.109804764, 0.20042711, 0.54391164, 1.6698812]","[-1.3597348, 1.4009056, -1.3490344, -0.30872804, 3.96212, 0.34184968, -3.134173, 0.111702286, 1.4343486, 2.696896, 2.1388326, -1.5498546, 1.4222018, 0.80646324, 1.971213, 1.0862609, -3.7154076, -0.26439643, 2.9038057, -0.9563616, 1.371105, -0.10958931, 2.3162754, 0.8257591, -4.746022, -1.837398, -1.7946994, 1.4751153, 3.0271978, -0.058464527, 1.3814309, -2.6542668, -0.6309733, -0.97990996, 0.17388344, 0.21822907, -2.2246006, 1.9873189, -1.5439304, 1.2409858, -0.27407157, -0.27916333, 0.16510917, -0.367702, 1.9291272, -2.0858808, 3.5739198, -1.1233846, 0.74157804, 1.049739, -1.5345025, -0.4627235, 0.40122676, 0.09314364, 1.4940476, -1.189565, -1.8592218, -0.040105104, -0.41718102, 0.11527308, -1.1297174, 1.5648867, 1.4639426, 5.3168864, 0.8857627, -1.4699423, 0.109804764, 0.20042711, 0.54391164, 1.6698812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
a-CH3CHDOH,[2H]C(C)O,CCO,CCO,y,Jorgensen et al. (18),2.30E+16,16.36172784,"[-2.890468, 2.3880234, -0.37898242, -0.9471209, 3.6170735, 1.007677, -2.4618986, 2.3867521, 2.382062, 2.2133174, 2.290286, -2.5040805, 1.9813478, 0.2721665, -0.8137263, 0.06912298, -4.3610854, 1.6596037, 4.1867867, -3.061255, 1.4985908, -0.23884569, 3.6483111, -0.99643356, -4.4476395, -2.647051, -1.3275973, 1.6390167, 3.864551, -0.36209744, 1.9930024, -2.603781, -2.6457913, -2.0781043, -0.054080725, 0.1830292, -1.9299769, 2.9722867, -0.54538226, 1.3427895, 0.2888422, 0.10439725, -0.9330077, -1.4419334, 2.1960773, -1.8938823, 3.7175865, -2.2208924, 0.90899533, 0.43279874, -2.4919896, -0.7031975, 0.29206502, 0.8821013, -0.10284564, -1.428148, -4.3392625, -2.4277103, -2.3184783, -0.30252498, -1.1039336, 0.907096, 3.9252193, 7.447797, -0.06367479, -0.9683995, 0.39851528, 2.3101282, 0.81073135, 1.5632436]","[-1.3597348, 1.4009056, -1.3490344, -0.30872804, 3.96212, 0.34184968, -3.134173, 0.111702286, 1.4343486, 2.696896, 2.1388326, -1.5498546, 1.4222018, 0.80646324, 1.971213, 1.0862609, -3.7154076, -0.26439643, 2.9038057, -0.9563616, 1.371105, -0.10958931, 2.3162754, 0.8257591, -4.746022, -1.837398, -1.7946994, 1.4751153, 3.0271978, -0.058464527, 1.3814309, -2.6542668, -0.6309733, -0.97990996, 0.17388344, 0.21822907, -2.2246006, 1.9873189, -1.5439304, 1.2409858, -0.27407157, -0.27916333, 0.16510917, -0.367702, 1.9291272, -2.0858808, 3.5739198, -1.1233846, 0.74157804, 1.049739, -1.5345025, -0.4627235, 0.40122676, 0.09314364, 1.4940476, -1.189565, -1.8592218, -0.040105104, -0.41718102, 0.11527308, -1.1297174, 1.5648867, 1.4639426, 5.3168864, 0.8857627, -1.4699423, 0.109804764, 0.20042711, 0.54391164, 1.6698812, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 1, 1, 0]"
a-a-CH2DCH2OH,[2H]CCO,CCO,CCO,y,Jorgensen et al. (18),2.70E+16,16.43136376,"[-1.3597348, 1.4009056, -1.3490344, -0.30872804, 3.96212, 0.34184968, -3.134173, 0.111702286, 1.4343486, 2.696896, 2.1388326, -1.5498546, 1.4222018, 0.80646324, 1.971213, 1.0862609, -3.7154076, -0.26439643, 2.9038057, -0.9563616, 1.371105, -0.10958931, 2.3162754, 0.8257591, -4.746022, -1.837398, -1.7946994, 1.4751153, 3.0271978, -0.058464527, 1.3814309, -2.6542668, -0.6309733, -0.97990996, 0.17388344, 0.21822907, -2.2246006, 1.9873189, -1.5439304, 1.2409858, -0.27407157, -0.27916333, 0.16510917, -0.367702, 1.9291272, -2.0858808, 3.5739198, -1.1233846, 0.74157804, 1.049739, -1.5345025, -0.4627235, 0.40122676, 0.09314364, 1.4940476, -1.189565, -1.8592218, -0.040105104, -0.41718102, 0.11527308, -1.1297174, 1.5648867, 1.4639426, 5.3168864, 0.8857627, -1.4699423, 0.109804764, 0.20042711, 0.54391164, 1.6698812]","[-1.3597348, 1.4009056, -1.3490344, -0.30872804, 3.96212, 0.34184968, -3.134173, 0.111702286, 1.4343486, 2.696896, 2.1388326, -1.5498546, 1.4222018, 0.80646324, 1.971213, 1.0862609, -3.7154076, -0.26439643, 2.9038057, -0.9563616, 1.371105, -0.10958931, 2.3162754, 0.8257591, -4.746022, -1.837398, -1.7946994, 1.4751153, 3.0271978, -0.058464527, 1.3814309, -2.6542668, -0.6309733, -0.97990996, 0.17388344, 0.21822907, -2.2246006, 1.9873189, -1.5439304, 1.2409858, -0.27407157, -0.27916333, 0.16510917, -0.367702, 1.9291272, -2.0858808, 3.5739198, -1.1233846, 0.74157804, 1.049739, -1.5345025, -0.4627235, 0.40122676, 0.09314364, 1.4940476, -1.189565, -1.8592218, -0.040105104, -0.41718102, 0.11527308, -1.1297174, 1.5648867, 1.4639426, 5.3168864, 0.8857627, -1.4699423, 0.109804764, 0.20042711, 0.54391164, 1.6698812, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 0, 1, 0]"
(CH3)2CO,CC(C)=O,Main,Main,n,Lykke et al. (17),1.70E+16,16.23,"[-2.3958573, -0.50983375, -0.12429951, -0.061725914, 4.913934, -0.76118135, -2.6439235, 0.15034665, 1.5042298, 0.87655103, 4.9581065, -0.2930196, 3.7621784, 0.699275, 3.9324677, -0.46475324, -4.8920712, 3.4088852, 4.267317, -0.3540981, -1.3513763, 1.007205, 1.3228307, -0.24568245, -3.0642745, -3.4394026, -1.5426714, 1.7991554, 3.6369326, 1.1956338, 0.31406242, -5.174872, 1.5532242, -3.5670662, 0.7032647, 0.020751402, -2.8131819, 3.252927, 0.2548986, 2.0856364, -1.0059005, -0.9697861, 1.001593, 0.21377589, 2.1604493, -1.6680683, 6.091354, 0.5874827, 1.1498544, 1.6901604, -0.85006034, -0.6967555, 1.0251315, 0.5648533, 1.4847839, 1.711236, -3.9760814, -0.51806146, -1.5438875, -1.0787423, -1.9133255, 0.8501521, 3.0468807, 4.187725, -0.26155677, -1.7333583, 1.1737188, 0.06780587, -0.050158158, -0.08776489]","[-2.3958573, -0.50983375, -0.12429951, -0.061725914, 4.913934, -0.76118135, -2.6439235, 0.15034665, 1.5042298, 0.87655103, 4.9581065, -0.2930196, 3.7621784, 0.699275, 3.9324677, -0.46475324, -4.8920712, 3.4088852, 4.267317, -0.3540981, -1.3513763, 1.007205, 1.3228307, -0.24568245, -3.0642745, -3.4394026, -1.5426714, 1.7991554, 3.6369326, 1.1956338, 0.31406242, -5.174872, 1.5532242, -3.5670662, 0.7032647, 0.020751402, -2.8131819, 3.252927, 0.2548986, 2.0856364, -1.0059005, -0.9697861, 1.001593, 0.21377589, 2.1604493, -1.6680683, 6.091354, 0.5874827, 1.1498544, 1.6901604, -0.85006034, -0.6967555, 1.0251315, 0.5648533, 1.4847839, 1.711236, -3.9760814, -0.51806146, -1.5438875, -1.0787423, -1.9133255, 0.8501521, 3.0468807, 4.187725, -0.26155677, -1.7333583, 1.1737188, 0.06780587, -0.050158158, -0.08776489, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
CS,[C-]#[S+],Main,Main,n,Drozdovskaya (18),3.90E+15,15.59,"[0.6782115, 0.3715282, 2.2669625, -0.6108184, -0.16065031, 0.1119389, -0.49385506, 0.6225596, 2.6898708, 1.1380582, -0.12361883, 0.20163132, 0.19523343, -0.390958, 1.0306313, -0.02739913, 0.14393884, 0.36056262, 3.0141206, 1.0385231, -0.56645405, 0.17405407, -0.12485057, -0.1149866, 1.0890579, 0.060486645, 0.31508967, 1.35667, 0.3814726, -0.6708506, 0.9490848, -0.012849025, 0.029843517, 0.18386725, -1.9499238, 1.1600137, -0.5286846, 1.1716418, -0.6161477, 1.0712315, -0.020153295, -0.5803349, 0.2971307, -0.43984693, -1.138487, -0.35099158, -1.1653055, 0.44787347, -0.6269671, 1.1421862, -1.612988, -0.334858, -0.9298165, -0.25330988, 0.63675064, 0.29497394, -1.4699531, -0.522235, -0.71020967, 0.35284972, 0.35362467, -0.2542928, 1.8738804, 1.176966, 0.06316982, 0.2901815, -1.6585591, -0.19158517, 0.14887246, -2.1035442]","[0.6782115, 0.3715282, 2.2669625, -0.6108184, -0.16065031, 0.1119389, -0.49385506, 0.6225596, 2.6898708, 1.1380582, -0.12361883, 0.20163132, 0.19523343, -0.390958, 1.0306313, -0.02739913, 0.14393884, 0.36056262, 3.0141206, 1.0385231, -0.56645405, 0.17405407, -0.12485057, -0.1149866, 1.0890579, 0.060486645, 0.31508967, 1.35667, 0.3814726, -0.6708506, 0.9490848, -0.012849025, 0.029843517, 0.18386725, -1.9499238, 1.1600137, -0.5286846, 1.1716418, -0.6161477, 1.0712315, -0.020153295, -0.5803349, 0.2971307, -0.43984693, -1.138487, -0.35099158, -1.1653055, 0.44787347, -0.6269671, 1.1421862, -1.612988, -0.334858, -0.9298165, -0.25330988, 0.63675064, 0.29497394, -1.4699531, -0.522235, -0.71020967, 0.35284972, 0.35362467, -0.2542928, 1.8738804, 1.176966, 0.06316982, 0.2901815, -1.6585591, -0.19158517, 0.14887246, -2.1035442, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
C(34S),[C-]#[34S+],[C-]#[S+],[C-]#[S+],y,Drozdovskaya et al. (18),2.00E+14,14.30103,"[0.29626095, 0.3564114, 1.1198026, -0.19317034, 0.24015126, 0.6550008, -0.1264266, 0.9572461, 1.6100416, 0.92779803, -0.0406314, 0.09764473, -0.19496864, 0.24164389, 0.6523062, -0.26942974, -0.14313337, 0.41162267, 1.2177722, 0.41767758, -0.38059974, 0.21152271, 0.3321623, 0.31571567, 0.45059857, 0.0473305, 0.22746873, 0.7853005, 0.3074998, -0.51413697, 0.20570822, -0.10501092, 0.3866611, -0.47935796, -1.3106593, 0.33390936, -0.37741548, 1.1380217, -0.41022992, 0.41113505, 0.28708538, -0.52322054, 0.18918292, -0.29148337, -0.5652266, 0.082876585, -0.3549019, 0.117477395, -0.33600798, 0.27156395, -0.41461325, 0.059902698, -0.40842563, -0.17797464, 0.33156383, -0.12656763, -0.64283705, -0.18181258, -0.108800724, -0.414187, 0.103711724, 0.14728688, 0.9527026, 0.93783647, 0.18533085, 0.49344563, -1.0634619, 0.18239748, 0.018324938, -0.7973142]","[0.6782115, 0.3715282, 2.2669625, -0.6108184, -0.16065031, 0.1119389, -0.49385506, 0.6225596, 2.6898708, 1.1380582, -0.12361883, 0.20163132, 0.19523343, -0.390958, 1.0306313, -0.02739913, 0.14393884, 0.36056262, 3.0141206, 1.0385231, -0.56645405, 0.17405407, -0.12485057, -0.1149866, 1.0890579, 0.060486645, 0.31508967, 1.35667, 0.3814726, -0.6708506, 0.9490848, -0.012849025, 0.029843517, 0.18386725, -1.9499238, 1.1600137, -0.5286846, 1.1716418, -0.6161477, 1.0712315, -0.020153295, -0.5803349, 0.2971307, -0.43984693, -1.138487, -0.35099158, -1.1653055, 0.44787347, -0.6269671, 1.1421862, -1.612988, -0.334858, -0.9298165, -0.25330988, 0.63675064, 0.29497394, -1.4699531, -0.522235, -0.71020967, 0.35284972, 0.35362467, -0.2542928, 1.8738804, 1.176966, 0.06316982, 0.2901815, -1.6585591, -0.19158517, 0.14887246, -2.1035442, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
C(36S),[C-]#[36S+],[C-]#[S+],[C-]#[S+],y,Drozdovskaya et al. (18),1.40E+13,13.14612804,"[0.36264026, 0.3851148, 1.0863363, -0.18132055, 0.2323541, 0.66432333, -0.12691009, 0.9799828, 1.6313453, 0.8830692, 0.0076918807, 0.10093937, -0.21418951, 0.20528485, 0.6073816, -0.2818989, -0.1581925, 0.3815732, 1.1719203, 0.44620898, -0.3520104, 0.23503284, 0.3368951, 0.32915127, 0.35819983, 0.03154839, 0.19327094, 0.7772148, 0.28664678, -0.5183922, 0.21540946, -0.118221804, 0.38938463, -0.49077368, -1.2504517, 0.3878937, -0.38879812, 1.1314675, -0.35956973, 0.44229633, 0.25970772, -0.53116894, 0.18646412, -0.27643007, -0.55563074, 0.08561961, -0.34130275, 0.09124901, -0.32572907, 0.27365398, -0.3683577, 0.018439323, -0.38360137, -0.19726759, 0.31708694, -0.15743501, -0.5720421, -0.14834812, -0.060368028, -0.44414863, 0.07864933, 0.1308848, 0.96794695, 0.897263, 0.14951904, 0.47318, -1.0750659, 0.18604907, 0.047705576, -0.77537227]","[0.6782115, 0.3715282, 2.2669625, -0.6108184, -0.16065031, 0.1119389, -0.49385506, 0.6225596, 2.6898708, 1.1380582, -0.12361883, 0.20163132, 0.19523343, -0.390958, 1.0306313, -0.02739913, 0.14393884, 0.36056262, 3.0141206, 1.0385231, -0.56645405, 0.17405407, -0.12485057, -0.1149866, 1.0890579, 0.060486645, 0.31508967, 1.35667, 0.3814726, -0.6708506, 0.9490848, -0.012849025, 0.029843517, 0.18386725, -1.9499238, 1.1600137, -0.5286846, 1.1716418, -0.6161477, 1.0712315, -0.020153295, -0.5803349, 0.2971307, -0.43984693, -1.138487, -0.35099158, -1.1653055, 0.44787347, -0.6269671, 1.1421862, -1.612988, -0.334858, -0.9298165, -0.25330988, 0.63675064, 0.29497394, -1.4699531, -0.522235, -0.71020967, 0.35284972, 0.35362467, -0.2542928, 1.8738804, 1.176966, 0.06316982, 0.2901815, -1.6585591, -0.19158517, 0.14887246, -2.1035442, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
CH3NC,[C-]#[N+]C,Main,Main,n,Calcutt et al. (2018a),2.00E+14,14.3,"[1.7677851, 1.3411903, 3.8962622, -0.18577722, 1.8336791, 1.2973537, -0.800772, 3.0495481, 8.013187, 2.8528552, -0.33057085, -0.49792185, -1.0866085, 0.21740593, 1.323304, -1.6186014, -0.95913345, 1.4668767, 3.4986954, 0.48272288, -0.7091788, 0.17715898, 1.8455718, 1.1461829, -0.14519268, -1.8733234, 0.8892472, 3.662121, 2.230974, -1.9181478, 0.38069728, -1.2018962, 2.808406, -2.90904, -6.343677, 1.5802416, -1.5679412, 5.085573, -1.0183126, 0.6537627, 0.49880266, -2.5247548, 0.7138658, -0.4665982, -1.1669912, -0.4672428, -0.49164677, 0.12345032, -0.6138634, 0.99098986, -0.6943945, 0.37716144, 0.6026509, -0.86865497, 0.7945523, -0.48042956, -2.5727186, -0.63562524, -1.2183458, -1.9915338, -1.0327593, 0.1018864, 3.163569, 4.171684, -0.06983541, 3.1973033, -3.906393, 1.0964828, 0.31257957, -2.9797087]","[1.7677851, 1.3411903, 3.8962622, -0.18577722, 1.8336791, 1.2973537, -0.800772, 3.0495481, 8.013187, 2.8528552, -0.33057085, -0.49792185, -1.0866085, 0.21740593, 1.323304, -1.6186014, -0.95913345, 1.4668767, 3.4986954, 0.48272288, -0.7091788, 0.17715898, 1.8455718, 1.1461829, -0.14519268, -1.8733234, 0.8892472, 3.662121, 2.230974, -1.9181478, 0.38069728, -1.2018962, 2.808406, -2.90904, -6.343677, 1.5802416, -1.5679412, 5.085573, -1.0183126, 0.6537627, 0.49880266, -2.5247548, 0.7138658, -0.4665982, -1.1669912, -0.4672428, -0.49164677, 0.12345032, -0.6138634, 0.99098986, -0.6943945, 0.37716144, 0.6026509, -0.86865497, 0.7945523, -0.48042956, -2.5727186, -0.63562524, -1.2183458, -1.9915338, -1.0327593, 0.1018864, 3.163569, 4.171684, -0.06983541, 3.1973033, -3.906393, 1.0964828, 0.31257957, -2.9797087, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
CH3OCH3,COC,Main,Main,n,Jorgensen et al. (18),2.40E+17,17.38,"[-0.11140624, -0.6955965, 0.30167863, 1.5268666, 7.0503325, -1.5115238, -0.10851757, -1.3743263, 1.5222296, 0.20190491, 2.227227, -0.52956694, 1.4989834, 0.5424, 2.1139305, 0.8516607, -4.689125, 0.79056525, 2.9706163, -0.6330864, -1.4882905, 1.3104032, 2.4307077, -0.8969041, -3.9177501, -1.3251125, -1.7376583, 1.1976318, 2.425518, -1.9622381, 0.37989005, -4.0318484, 0.20477134, -3.1057286, -0.51489013, -1.1449044, -2.3738885, 1.9271114, -1.896233, 1.2919365, 1.4578826, -2.5368202, 0.22525181, 0.5772, 2.00478, -1.1828753, 2.9090602, -0.7884773, 1.296206, 0.50871813, -0.61626637, -0.8063316, -0.7609782, 0.18608674, 0.82794863, 0.6707607, -1.8558397, -0.6969065, -1.0709474, -1.6756257, -1.9704032, 0.16244107, 0.28239352, 4.4941306, -1.6794902, -0.3247026, -0.44178805, 2.4325724, 0.65841216, 1.7100431]","[-0.11140624, -0.6955965, 0.30167863, 1.5268666, 7.0503325, -1.5115238, -0.10851757, -1.3743263, 1.5222296, 0.20190491, 2.227227, -0.52956694, 1.4989834, 0.5424, 2.1139305, 0.8516607, -4.689125, 0.79056525, 2.9706163, -0.6330864, -1.4882905, 1.3104032, 2.4307077, -0.8969041, -3.9177501, -1.3251125, -1.7376583, 1.1976318, 2.425518, -1.9622381, 0.37989005, -4.0318484, 0.20477134, -3.1057286, -0.51489013, -1.1449044, -2.3738885, 1.9271114, -1.896233, 1.2919365, 1.4578826, -2.5368202, 0.22525181, 0.5772, 2.00478, -1.1828753, 2.9090602, -0.7884773, 1.296206, 0.50871813, -0.61626637, -0.8063316, -0.7609782, 0.18608674, 0.82794863, 0.6707607, -1.8558397, -0.6969065, -1.0709474, -1.6756257, -1.9704032, 0.16244107, 0.28239352, 4.4941306, -1.6794902, -0.3247026, -0.44178805, 2.4325724, 0.65841216, 1.7100431, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
(13C)H3OCH3,CO[13CH3],COC,COC,y,Jorgensen et al. (18),1.40E+16,16.14612804,"[-0.11140624, -0.6955965, 0.30167863, 1.5268666, 7.0503325, -1.5115238, -0.10851757, -1.3743263, 1.5222296, 0.20190491, 2.227227, -0.52956694, 1.4989834, 0.5424, 2.1139305, 0.8516607, -4.689125, 0.79056525, 2.9706163, -0.6330864, -1.4882905, 1.3104032, 2.4307077, -0.8969041, -3.9177501, -1.3251125, -1.7376583, 1.1976318, 2.425518, -1.9622381, 0.37989005, -4.0318484, 0.20477134, -3.1057286, -0.51489013, -1.1449044, -2.3738885, 1.9271114, -1.896233, 1.2919365, 1.4578826, -2.5368202, 0.22525181, 0.5772, 2.00478, -1.1828753, 2.9090602, -0.7884773, 1.296206, 0.50871813, -0.61626637, -0.8063316, -0.7609782, 0.18608674, 0.82794863, 0.6707607, -1.8558397, -0.6969065, -1.0709474, -1.6756257, -1.9704032, 0.16244107, 0.28239352, 4.4941306, -1.6794902, -0.3247026, -0.44178805, 2.4325724, 0.65841216, 1.7100431]","[-0.11140624, -0.6955965, 0.30167863, 1.5268666, 7.0503325, -1.5115238, -0.10851757, -1.3743263, 1.5222296, 0.20190491, 2.227227, -0.52956694, 1.4989834, 0.5424, 2.1139305, 0.8516607, -4.689125, 0.79056525, 2.9706163, -0.6330864, -1.4882905, 1.3104032, 2.4307077, -0.8969041, -3.9177501, -1.3251125, -1.7376583, 1.1976318, 2.425518, -1.9622381, 0.37989005, -4.0318484, 0.20477134, -3.1057286, -0.51489013, -1.1449044, -2.3738885, 1.9271114, -1.896233, 1.2919365, 1.4578826, -2.5368202, 0.22525181, 0.5772, 2.00478, -1.1828753, 2.9090602, -0.7884773, 1.296206, 0.50871813, -0.61626637, -0.8063316, -0.7609782, 0.18608674, 0.82794863, 0.6707607, -1.8558397, -0.6969065, -1.0709474, -1.6756257, -1.9704032, 0.16244107, 0.28239352, 4.4941306, -1.6794902, -0.3247026, -0.44178805, 2.4325724, 0.65841216, 1.7100431, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 3, 0, 0, 0]"
asym-CH2DOCH3,[2H]COC,COC,COC,y,Jorgensen et al. (18),4.10E+16,16.61278386,"[-0.11140624, -0.6955965, 0.30167863, 1.5268666, 7.0503325, -1.5115238, -0.10851757, -1.3743263, 1.5222296, 0.20190491, 2.227227, -0.52956694, 1.4989834, 0.5424, 2.1139305, 0.8516607, -4.689125, 0.79056525, 2.9706163, -0.6330864, -1.4882905, 1.3104032, 2.4307077, -0.8969041, -3.9177501, -1.3251125, -1.7376583, 1.1976318, 2.425518, -1.9622381, 0.37989005, -4.0318484, 0.20477134, -3.1057286, -0.51489013, -1.1449044, -2.3738885, 1.9271114, -1.896233, 1.2919365, 1.4578826, -2.5368202, 0.22525181, 0.5772, 2.00478, -1.1828753, 2.9090602, -0.7884773, 1.296206, 0.50871813, -0.61626637, -0.8063316, -0.7609782, 0.18608674, 0.82794863, 0.6707607, -1.8558397, -0.6969065, -1.0709474, -1.6756257, -1.9704032, 0.16244107, 0.28239352, 4.4941306, -1.6794902, -0.3247026, -0.44178805, 2.4325724, 0.65841216, 1.7100431]","[-0.11140624, -0.6955965, 0.30167863, 1.5268666, 7.0503325, -1.5115238, -0.10851757, -1.3743263, 1.5222296, 0.20190491, 2.227227, -0.52956694, 1.4989834, 0.5424, 2.1139305, 0.8516607, -4.689125, 0.79056525, 2.9706163, -0.6330864, -1.4882905, 1.3104032, 2.4307077, -0.8969041, -3.9177501, -1.3251125, -1.7376583, 1.1976318, 2.425518, -1.9622381, 0.37989005, -4.0318484, 0.20477134, -3.1057286, -0.51489013, -1.1449044, -2.3738885, 1.9271114, -1.896233, 1.2919365, 1.4578826, -2.5368202, 0.22525181, 0.5772, 2.00478, -1.1828753, 2.9090602, -0.7884773, 1.296206, 0.50871813, -0.61626637, -0.8063316, -0.7609782, 0.18608674, 0.82794863, 0.6707607, -1.8558397, -0.6969065, -1.0709474, -1.6756257, -1.9704032, 0.16244107, 0.28239352, 4.4941306, -1.6794902, -0.3247026, -0.44178805, 2.4325724, 0.65841216, 1.7100431, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 1, 0, 0]"
CH2OHCHO,O=CCO,Main,Main,n,Jorgensen et al. (16),3.20E+16,16.51,"[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475]","[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
CHDOHCHO,[2H]C(O)C=O,O=CCO,O=CCO,y,Jorgensen et al. (16),3.32E+15,15.52113808,"[-5.0106454, 2.7914329, -1.0960553, -2.1584663, 4.0592318, 2.000606, -3.8731816, 3.1008315, 3.5247624, 2.7942684, 2.1354775, -2.30896, 1.4554042, 1.8460289, 1.5037413, 0.06974597, -5.8097014, 3.0106013, 4.495285, -2.7344232, 0.7143542, -0.052553143, 5.0361986, -1.738297, -6.0811224, -2.7621458, -1.9804208, 2.2484822, 2.5207295, -1.1246527, 0.8983621, -3.0484257, -3.1100414, -0.732961, -0.8583846, -0.6126597, -2.8795714, 4.3237057, -0.089925855, 1.4705474, 1.7721786, -3.0210845, -1.2807807, -3.0058475, 3.045072, -3.3143287, 6.094069, -1.5604682, 0.84812105, 0.6490709, -2.5110183, -1.8099244, 1.827416, 2.3221624, 1.3772707, 0.28963375, -6.6146383, -3.9317584, -1.1172801, -1.3664112, 0.20948164, 0.3848741, 4.2516975, 7.3902206, -1.6841329, -0.82744825, 0.15153196, 2.0943387, -0.0025113523, 0.6236031]","[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 4, 1, 1, 0]"
CH2ODCHO,[2H]OCC=O,O=CCO,O=CCO,y,Jorgensen et al. (16),1.50E+15,15.17609126,"[-6.780928, 3.701103, -0.22212626, -2.2635834, 3.5410974, 1.4838562, -4.5726914, 3.0981123, 3.207352, 2.0212913, 1.4493678, -2.6219792, 1.9282986, 1.6181848, 1.6313212, -0.68649375, -4.201071, 2.9258406, 3.3650477, -3.0637608, 1.1984318, 0.3007401, 4.8358254, -1.6889381, -6.129965, -2.0330215, -1.3692808, 3.6382072, 2.9545536, -2.334219, 1.5344245, -2.8321996, -2.3562794, -1.0183583, -1.361891, -1.1563658, -2.3141048, 4.4652176, 0.38836145, 2.5333781, 2.445693, -3.6852655, -1.2842987, -3.0076704, 3.037413, -2.7900536, 6.788938, -1.5521009, 1.4492877, 1.470981, -2.008696, -1.7788279, 0.7234806, 2.738397, 0.57825834, -0.3994506, -7.639025, -3.7964365, -0.49266315, -0.7445626, -0.3450335, 1.4555538, 4.033949, 8.306593, -2.1238925, -1.3548317, 0.37016895, 1.8914026, -0.19154987, 0.18473974]","[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 4, 0, 1, 0]"
CH2OHCDO,[2H]C(=O)CO,O=CCO,O=CCO,y,Jorgensen et al. (16),1.64E+15,15.21484385,"[-7.1573753, 2.7490044, -0.54750884, -2.4097667, 4.1298003, 1.5185189, -4.550372, 3.0913725, 3.036686, 2.5621758, 1.9265141, -2.344922, 1.4624015, 1.9640596, 2.5256293, -0.73774827, -5.4140453, 3.5493572, 3.589017, -3.4922612, 1.3862947, -0.0068514384, 4.9208903, -2.3321683, -6.808599, -2.4913259, -2.1064742, 3.01997, 2.5845141, -2.1762857, 1.07218, -2.3064353, -2.6439452, -0.17449525, -1.982586, -1.0143045, -3.2483804, 4.684535, 0.08907521, 1.7074778, 2.0626101, -4.0623507, -1.6780037, -4.471847, 3.225305, -3.019257, 5.2055254, -0.42519695, 1.2444801, 1.6692945, -2.2863767, -3.0445228, 1.6477413, 3.5807219, 1.2029344, 0.91466457, -6.8942995, -3.564227, -1.5477709, -0.37681758, 0.9675623, 0.54100674, 4.6869817, 7.159152, -2.2744231, -1.2903228, 0.095649615, 1.3650061, 0.059982046, 0.18903461]","[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 4, 1, 1, 1]"
(13C)H2OHCHO,O=C[13CH2]O,O=CCO,O=CCO,y,Jorgensen et al. (16),1.17E+15,15.06833876,"[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475]","[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 4, 0, 0, 0]"
CH2OH(13C)HO,O=[13CH]CO,O=CCO,O=CCO,y,Jorgensen et al. (16),1.17E+15,15.06813549,"[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475]","[-4.489857, 2.203757, -1.8369999, -1.8275534, 4.4223094, 1.3533556, -4.3621883, 0.5689516, 3.04918, 2.9189267, 1.7431436, -1.5467834, 0.4076891, 3.0140376, 4.1807175, 0.33712235, -5.491764, 1.149836, 2.6887941, -0.8520599, 0.92828715, 0.053092774, 3.844234, 0.0370619, -6.185125, -2.1742628, -2.8902483, 2.4980962, 2.0009217, -0.8808247, 1.3704407, -2.879158, -1.0025425, 0.499865, -0.42447627, -0.46203098, -3.153519, 3.7314167, -0.536415, 1.6878153, 1.6283455, -3.3384135, -0.58156914, -2.1158967, 3.4773002, -4.024708, 6.43991, -0.25117695, 0.57706124, 1.3316594, -1.409404, -1.7269262, 2.349742, 1.3062212, 2.6108797, 0.8147761, -4.0266285, -1.944061, 0.07890825, -0.8240023, 0.442281, 0.9342536, 1.9106807, 5.753387, -1.4502833, -1.0960988, 0.40889204, 0.6134343, -0.68359005, 0.88280475, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 4, 0, 0, 0]"
CH2NH,C=N,Main,Main,n,Ligertink et al. (2017b),8.00E+14,14.90308999,"[-1.1485553, 1.595504, 1.1045957, -1.5141557, 1.4354652, 0.32322776, -1.5736066, -0.59894603, 1.8697042, 1.7019694, 1.5115194, -0.5613259, 0.33618048, 0.12770054, 1.8565841, -1.7221375, -1.0119147, -0.13585877, 1.3586656, -1.7927804, -0.112528324, 0.28903863, 1.308112, 0.13930756, -0.09924476, -1.3300357, 0.2436944, 1.8003433, 0.6173294, -1.2029437, 0.6103501, -0.31338015, 1.0839727, -0.22304147, 0.21781398, -0.7505075, -0.6010452, 0.41666287, -0.42890674, 0.26841623, 0.019812077, -0.96510464, 0.77865785, -0.12980138, 0.8892729, -0.108264625, 1.635087, -0.1166057, 0.69945693, 0.24347283, -0.9672827, -0.81095105, -0.49562588, 2.0314918, 1.0047051, -0.043418437, -1.3630173, 0.44480053, 0.1226185, 0.3273219, -0.97516525, -0.5066752, 1.282266, 1.6653321, 0.19703546, -0.19951007, 0.86865497, -0.52502584, -1.3410416, -1.2416644]","[-1.1485553, 1.595504, 1.1045957, -1.5141557, 1.4354652, 0.32322776, -1.5736066, -0.59894603, 1.8697042, 1.7019694, 1.5115194, -0.5613259, 0.33618048, 0.12770054, 1.8565841, -1.7221375, -1.0119147, -0.13585877, 1.3586656, -1.7927804, -0.112528324, 0.28903863, 1.308112, 0.13930756, -0.09924476, -1.3300357, 0.2436944, 1.8003433, 0.6173294, -1.2029437, 0.6103501, -0.31338015, 1.0839727, -0.22304147, 0.21781398, -0.7505075, -0.6010452, 0.41666287, -0.42890674, 0.26841623, 0.019812077, -0.96510464, 0.77865785, -0.12980138, 0.8892729, -0.108264625, 1.635087, -0.1166057, 0.69945693, 0.24347283, -0.9672827, -0.81095105, -0.49562588, 2.0314918, 1.0047051, -0.043418437, -1.3630173, 0.44480053, 0.1226185, 0.3273219, -0.97516525, -0.5066752, 1.282266, 1.6653321, 0.19703546, -0.19951007, 0.86865497, -0.52502584, -1.3410416, -1.2416644, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
CH3COOH,CC(=O)O,Main,Main,n,Jorgensen et al. (16),2.80E+15,15.45,"[-3.58613, -0.5777247, -0.22631034, -0.4258935, 3.5428927, -0.8786963, -3.9081573, 0.27595174, 2.0250015, 1.1874163, 4.09067, -1.326998, 3.2118807, 0.9680763, 4.6680555, -0.10633507, -4.625154, 1.8899456, 3.9679203, -1.0346708, -0.05444172, -0.033306137, 1.9765126, -0.31289417, -3.5533266, -2.6742015, -1.8917439, 1.5976307, 3.3350692, 0.7406515, -0.350932, -5.141811, 0.84766275, -3.3059492, 1.0034226, 0.42784554, -2.589282, 2.5480504, 0.9503714, 2.5721183, -1.0410068, -1.3585854, -0.20339237, 0.55042964, 2.3428192, -1.9448228, 6.1208773, -0.38931704, 1.2317398, 2.268218, -0.92457753, 0.04667011, 1.3022125, -0.43789774, 1.980166, 0.0563187, -3.5686488, -1.3598565, -1.257955, -0.68179655, -2.6412337, 0.5459311, 3.194353, 4.108392, 0.23227975, -1.3298336, 0.7138201, 0.6170408, -1.0765712, -0.7795048]","[-3.58613, -0.5777247, -0.22631034, -0.4258935, 3.5428927, -0.8786963, -3.9081573, 0.27595174, 2.0250015, 1.1874163, 4.09067, -1.326998, 3.2118807, 0.9680763, 4.6680555, -0.10633507, -4.625154, 1.8899456, 3.9679203, -1.0346708, -0.05444172, -0.033306137, 1.9765126, -0.31289417, -3.5533266, -2.6742015, -1.8917439, 1.5976307, 3.3350692, 0.7406515, -0.350932, -5.141811, 0.84766275, -3.3059492, 1.0034226, 0.42784554, -2.589282, 2.5480504, 0.9503714, 2.5721183, -1.0410068, -1.3585854, -0.20339237, 0.55042964, 2.3428192, -1.9448228, 6.1208773, -0.38931704, 1.2317398, 2.268218, -0.92457753, 0.04667011, 1.3022125, -0.43789774, 1.980166, 0.0563187, -3.5686488, -1.3598565, -1.257955, -0.68179655, -2.6412337, 0.5459311, 3.194353, 4.108392, 0.23227975, -1.3298336, 0.7138201, 0.6170408, -1.0765712, -0.7795048, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
c-C2H4O,C1CO1,Main,Main,n,Lykke et al. (17),5.40E+15,15.73,"[-4.4067354, 1.8190478, 1.1512375, 1.7940052, 4.161343, 0.12997182, -1.3305016, 2.3057063, 2.7454581, 2.4074817, 2.8423057, -2.0571432, 1.5809197, 0.77473885, 3.9123702, 0.79414856, -4.312129, 0.8915397, 1.9118624, 1.1172568, -0.32188836, 0.95005435, 4.487006, -0.7788071, -3.7653162, -3.6380754, -0.40792543, 0.61972976, -0.17707926, -1.7402709, 2.4687417, -5.2123985, -1.1426808, -1.7974643, 1.3464355, 1.7165166, -1.7734928, 2.7176938, -0.67032975, -2.3828943, -1.611661, 0.26736033, 1.1797659, 1.462216, 1.2198503, -2.1949098, 2.7456534, -1.0019354, -0.971767, 3.5899518, -2.982953, -0.29214776, -0.414536, -1.1657447, 4.6378875, 1.4861333, -2.2762122, 0.2882542, -0.6166232, 2.5076354, 0.8607393, 0.60193944, 0.11709283, 2.8953705, -0.5443167, 0.6747104, 0.25909802, 0.091517046, 1.3514456, 2.395464]","[-4.4067354, 1.8190478, 1.1512375, 1.7940052, 4.161343, 0.12997182, -1.3305016, 2.3057063, 2.7454581, 2.4074817, 2.8423057, -2.0571432, 1.5809197, 0.77473885, 3.9123702, 0.79414856, -4.312129, 0.8915397, 1.9118624, 1.1172568, -0.32188836, 0.95005435, 4.487006, -0.7788071, -3.7653162, -3.6380754, -0.40792543, 0.61972976, -0.17707926, -1.7402709, 2.4687417, -5.2123985, -1.1426808, -1.7974643, 1.3464355, 1.7165166, -1.7734928, 2.7176938, -0.67032975, -2.3828943, -1.611661, 0.26736033, 1.1797659, 1.462216, 1.2198503, -2.1949098, 2.7456534, -1.0019354, -0.971767, 3.5899518, -2.982953, -0.29214776, -0.414536, -1.1657447, 4.6378875, 1.4861333, -2.2762122, 0.2882542, -0.6166232, 2.5076354, 0.8607393, 0.60193944, 0.11709283, 2.8953705, -0.5443167, 0.6747104, 0.25909802, 0.091517046, 1.3514456, 2.395464, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
c-C2H3DO,[2H]C1CO1,C1CO1,C1CO1,y,Muller et al. (22),7.80E+14,14.8920946,"[-6.026622, 3.6426554, 1.3629398, 1.7749493, 2.9677107, 0.68588066, -0.6399846, 5.3090763, 4.1324744, 1.6028334, 3.5377812, -2.689106, 2.7283711, -0.28573173, 0.3023957, -0.46834874, -5.026681, 3.6997638, 4.0749173, -1.0787064, 0.4889197, 1.0266559, 5.7130027, -2.1662323, -4.92802, -3.669148, 1.2807002, 1.1374247, 0.4013167, -4.2200656, 2.9981391, -6.303962, -2.7632535, -2.209681, 0.3067296, 1.2805272, -0.32441795, 3.7128427, 0.34220833, -2.4881024, -1.2994943, 0.099944755, 0.7268205, 0.25470155, 1.0690377, -0.991075, 1.435745, -2.3841171, -0.06287798, 4.5527287, -3.967691, -0.91643274, -1.5257133, -0.437006, 4.3023467, 0.106129706, -5.528376, -1.7461145, -2.677708, 2.4787412, 1.0348638, 1.5666335, 1.4241136, 4.4028964, -0.9358989, -0.38993666, 0.8941511, 1.0524904, 1.6888571, 2.1082094]","[-4.4067354, 1.8190478, 1.1512375, 1.7940052, 4.161343, 0.12997182, -1.3305016, 2.3057063, 2.7454581, 2.4074817, 2.8423057, -2.0571432, 1.5809197, 0.77473885, 3.9123702, 0.79414856, -4.312129, 0.8915397, 1.9118624, 1.1172568, -0.32188836, 0.95005435, 4.487006, -0.7788071, -3.7653162, -3.6380754, -0.40792543, 0.61972976, -0.17707926, -1.7402709, 2.4687417, -5.2123985, -1.1426808, -1.7974643, 1.3464355, 1.7165166, -1.7734928, 2.7176938, -0.67032975, -2.3828943, -1.611661, 0.26736033, 1.1797659, 1.462216, 1.2198503, -2.1949098, 2.7456534, -1.0019354, -0.971767, 3.5899518, -2.982953, -0.29214776, -0.414536, -1.1657447, 4.6378875, 1.4861333, -2.2762122, 0.2882542, -0.6166232, 2.5076354, 0.8607393, 0.60193944, 0.11709283, 2.8953705, -0.5443167, 0.6747104, 0.25909802, 0.091517046, 1.3514456, 2.395464, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 3, 1, 1, 0]"
HC3N,C#CC#N,Main,Main,n,Calcutt et al. (2018b),1.80E+14,14.26,"[0.7277442, 2.8644364, 3.0409722, -2.1204135, 3.3342988, 0.18980509, -4.5212507, 2.029134, 4.5667067, 0.5247997, 2.1547637, -1.2088826, 3.4766173, 3.3421047, 5.2463746, 0.31186566, -2.2938864, 1.074363, 3.0300717, 1.2188185, -0.6884911, 0.80202454, 3.0037272, 3.2202432, -3.9475803, -3.9747112, -3.0278525, 5.1459837, 5.631748, -0.85694456, 3.5106127, -1.8686404, -3.2240415, -0.18357022, -0.7048639, 2.3796823, -4.5568695, 6.5648985, -2.2730124, 1.0777122, -0.27881604, -2.472899, 0.6641351, 0.8381934, 2.3691652, -2.4358675, 0.34269693, -4.060506, -0.843066, 3.3476067, -0.43997645, -2.0887914, 3.1695106, -1.509241, 3.8365273, 0.14971364, -3.729444, -2.2345648, -6.460208, -0.29413676, 2.787245, 0.056478634, 5.4853554, 8.78465, -0.5632491, -1.4244844, -6.825921, 1.948381, -4.3963594, 0.17333844]","[0.7277442, 2.8644364, 3.0409722, -2.1204135, 3.3342988, 0.18980509, -4.5212507, 2.029134, 4.5667067, 0.5247997, 2.1547637, -1.2088826, 3.4766173, 3.3421047, 5.2463746, 0.31186566, -2.2938864, 1.074363, 3.0300717, 1.2188185, -0.6884911, 0.80202454, 3.0037272, 3.2202432, -3.9475803, -3.9747112, -3.0278525, 5.1459837, 5.631748, -0.85694456, 3.5106127, -1.8686404, -3.2240415, -0.18357022, -0.7048639, 2.3796823, -4.5568695, 6.5648985, -2.2730124, 1.0777122, -0.27881604, -2.472899, 0.6641351, 0.8381934, 2.3691652, -2.4358675, 0.34269693, -4.060506, -0.843066, 3.3476067, -0.43997645, -2.0887914, 3.1695106, -1.509241, 3.8365273, 0.14971364, -3.729444, -2.2345648, -6.460208, -0.29413676, 2.787245, 0.056478634, 5.4853554, 8.78465, -0.5632491, -1.4244844, -6.825921, 1.948381, -4.3963594, 0.17333844, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
H2S,S,Main,Main,n,Drozdovskaya (18),1.70E+17,17.23,"[0.20140675, -0.04654868, 0.8073308, 0.045414187, 0.09613168, -0.12031608, 0.14828144, 0.47588614, 0.45902818, 0.27420023, 0.07977503, 0.037978236, 0.44111612, -0.39315897, 0.41995603, 0.094958596, 0.22865425, 0.07599921, 0.8120586, -0.1034236, 0.26568073, 0.6046874, 0.08120744, -0.18248412, -0.26997998, 0.060169008, -0.13382767, 0.111945726, 0.07878454, -0.443991, -0.13648634, 0.31299195, 0.041147456, 0.102714956, 0.02969558, -0.25659218, 0.28488755, 0.10703696, 0.23794806, 0.5342997, -0.37350345, -0.6043562, 0.043441083, -0.6723531, -0.0066935495, 0.00994005, 0.30479088, -0.6309378, -0.050040428, 0.4595433, -0.27859536, -0.3439755, -0.09977434, 0.5904285, 0.40163848, 0.08437367, -0.8834698, 0.63406366, 0.49671638, 0.0053654932, -0.6324172, 0.62030643, 0.33194265, 0.45001224, 0.61326414, -0.7429992, -0.09777814, 0.13409533, 0.11735581, -0.16358614]","[0.20140675, -0.04654868, 0.8073308, 0.045414187, 0.09613168, -0.12031608, 0.14828144, 0.47588614, 0.45902818, 0.27420023, 0.07977503, 0.037978236, 0.44111612, -0.39315897, 0.41995603, 0.094958596, 0.22865425, 0.07599921, 0.8120586, -0.1034236, 0.26568073, 0.6046874, 0.08120744, -0.18248412, -0.26997998, 0.060169008, -0.13382767, 0.111945726, 0.07878454, -0.443991, -0.13648634, 0.31299195, 0.041147456, 0.102714956, 0.02969558, -0.25659218, 0.28488755, 0.10703696, 0.23794806, 0.5342997, -0.37350345, -0.6043562, 0.043441083, -0.6723531, -0.0066935495, 0.00994005, 0.30479088, -0.6309378, -0.050040428, 0.4595433, -0.27859536, -0.3439755, -0.09977434, 0.5904285, 0.40163848, 0.08437367, -0.8834698, 0.63406366, 0.49671638, 0.0053654932, -0.6324172, 0.62030643, 0.33194265, 0.45001224, 0.61326414, -0.7429992, -0.09777814, 0.13409533, 0.11735581, -0.16358614, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0]"
HDS,[2H]S,S,S,y,Drozdovskaya et al. (18),1.60E+16,16.20411998,"[-0.6362039, 0.7713085, 2.0212874, 0.1567721, 0.23462015, -0.19493726, 0.85441494, 2.1172342, 1.5230184, -0.09595528, 0.77545816, -0.5231913, 1.6903701, -1.7887845, -0.95564157, -0.65732664, -0.036321715, 0.8472143, 2.958975, -1.5860558, 0.8324942, 1.0461922, 0.5426273, -1.5647664, -0.6443895, -0.24729201, 0.6007446, 0.7522073, 0.5234726, -1.5642061, 0.27867067, 0.8041519, -0.7449429, -0.11026448, -0.570365, -0.123986274, 0.77702576, 0.6060456, 0.7847406, 0.94022286, -0.48464787, -1.1298101, -0.14558712, -1.7313352, -0.26664072, 0.4397057, 0.49069077, -1.5196942, -0.23762268, 1.8399508, -1.4580846, -1.0845774, -0.39452624, 1.2769406, 0.44231513, -0.43549234, -3.56859, -0.24107498, -0.119663835, 0.3272702, -1.2101511, 1.1027043, 1.7380253, 2.3802624, 1.3543615, -1.2506549, -0.31351414, 0.899701, -0.20988499, -0.5823393]","[0.20140675, -0.04654868, 0.8073308, 0.045414187, 0.09613168, -0.12031608, 0.14828144, 0.47588614, 0.45902818, 0.27420023, 0.07977503, 0.037978236, 0.44111612, -0.39315897, 0.41995603, 0.094958596, 0.22865425, 0.07599921, 0.8120586, -0.1034236, 0.26568073, 0.6046874, 0.08120744, -0.18248412, -0.26997998, 0.060169008, -0.13382767, 0.111945726, 0.07878454, -0.443991, -0.13648634, 0.31299195, 0.041147456, 0.102714956, 0.02969558, -0.25659218, 0.28488755, 0.10703696, 0.23794806, 0.5342997, -0.37350345, -0.6043562, 0.043441083, -0.6723531, -0.0066935495, 0.00994005, 0.30479088, -0.6309378, -0.050040428, 0.4595433, -0.27859536, -0.3439755, -0.09977434, 0.5904285, 0.40163848, 0.08437367, -0.8834698, 0.63406366, 0.49671638, 0.0053654932, -0.6324172, 0.62030643, 0.33194265, 0.45001224, 0.61326414, -0.7429992, -0.09777814, 0.13409533, 0.11735581, -0.16358614, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0]"
HD(34S),[2H][34SH],[2H]S,S,y,Drozdovskaya et al. (18),1.00E+15,15,"[-0.87531054, 0.48620376, 0.4049551, 0.13824286, 0.060750082, 0.28830203, 0.02090851, 0.91054595, 0.4437248, -0.04602908, 0.29394764, -0.30231765, 0.80795616, -0.52360487, -1.092165, -0.5452483, -0.3649935, 0.9392505, 1.0446203, -0.9430261, 0.04148953, 0.17302871, 0.6370055, -0.83474004, -0.23972529, -0.3816161, 0.49386397, 0.24568017, 0.2745344, -0.5105896, 0.16563468, -0.0063795373, -0.71513414, -0.40131152, -0.43062443, -0.22509144, 0.19627473, 0.44519222, 0.24935459, 0.13884428, 0.0036337972, -0.15491727, -0.14586557, -0.4196879, 0.054486055, 0.5663382, 0.03999945, -0.6651685, 0.36382666, 0.34553713, -0.36953247, -0.2751427, -0.24907061, 0.35320267, -0.3025606, -0.15451647, -1.3118641, -0.8078511, -0.76456463, -0.15800542, 0.07038772, 0.071938396, 0.7597215, 0.9445263, -0.11353961, -0.08743004, -0.042333692, 0.5010626, 0.118435435, -0.40799904]","[0.20140675, -0.04654868, 0.8073308, 0.045414187, 0.09613168, -0.12031608, 0.14828144, 0.47588614, 0.45902818, 0.27420023, 0.07977503, 0.037978236, 0.44111612, -0.39315897, 0.41995603, 0.094958596, 0.22865425, 0.07599921, 0.8120586, -0.1034236, 0.26568073, 0.6046874, 0.08120744, -0.18248412, -0.26997998, 0.060169008, -0.13382767, 0.111945726, 0.07878454, -0.443991, -0.13648634, 0.31299195, 0.041147456, 0.102714956, 0.02969558, -0.25659218, 0.28488755, 0.10703696, 0.23794806, 0.5342997, -0.37350345, -0.6043562, 0.043441083, -0.6723531, -0.0066935495, 0.00994005, 0.30479088, -0.6309378, -0.050040428, 0.4595433, -0.27859536, -0.3439755, -0.09977434, 0.5904285, 0.40163848, 0.08437367, -0.8834698, 0.63406366, 0.49671638, 0.0053654932, -0.6324172, 0.62030643, 0.33194265, 0.45001224, 0.61326414, -0.7429992, -0.09777814, 0.13409533, 0.11735581, -0.16358614, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0]"
C2H5CN,CCC#N,Main,Main,n,Calcutt et al. (2018b),3.60E+15,15.56,"[1.2017933, 2.5378642, -0.23101243, -1.1029795, 5.074832, 0.6395532, -3.9606724, 0.6854403, 4.160387, 3.1087723, 2.9716916, -0.72230536, 1.4680839, 3.5793028, 3.8806913, 0.8715793, -4.5196958, 0.86795914, 3.2931004, 0.7088347, -0.92059946, 0.2646568, 2.6131237, 1.780185, -4.9247317, -4.77727, -3.3467393, 2.8081923, 4.811631, -0.39665008, 2.7405496, -3.364184, -1.856221, -1.3383087, -1.4120082, 1.8008962, -4.425637, 4.9282846, -1.9719834, 0.9404968, -1.4871497, -1.2290581, 0.05833143, 0.64001167, 2.076191, -1.919644, 2.0213575, -2.867699, 0.21555752, 2.176449, -2.127129, -1.8093588, 3.0733116, 0.17963427, 2.2720358, -0.7368289, -1.8063698, -0.8514532, -3.2973576, -1.453811, 0.020254366, 0.17298706, 3.7895646, 7.941146, 0.69571847, -1.5385576, -3.729874, 0.9985051, -2.1191952, 2.9289296]","[1.2017933, 2.5378642, -0.23101243, -1.1029795, 5.074832, 0.6395532, -3.9606724, 0.6854403, 4.160387, 3.1087723, 2.9716916, -0.72230536, 1.4680839, 3.5793028, 3.8806913, 0.8715793, -4.5196958, 0.86795914, 3.2931004, 0.7088347, -0.92059946, 0.2646568, 2.6131237, 1.780185, -4.9247317, -4.77727, -3.3467393, 2.8081923, 4.811631, -0.39665008, 2.7405496, -3.364184, -1.856221, -1.3383087, -1.4120082, 1.8008962, -4.425637, 4.9282846, -1.9719834, 0.9404968, -1.4871497, -1.2290581, 0.05833143, 0.64001167, 2.076191, -1.919644, 2.0213575, -2.867699, 0.21555752, 2.176449, -2.127129, -1.8093588, 3.0733116, 0.17963427, 2.2720358, -0.7368289, -1.8063698, -0.8514532, -3.2973576, -1.453811, 0.020254366, 0.17298706, 3.7895646, 7.941146, 0.69571847, -1.5385576, -3.729874, 0.9985051, -2.1191952, 2.9289296, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
H2CO,C=O,Main,Main,n,Persson et al. (18),1.90E+18,18.28,"[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
H2(13C)O,[13CH2]=O,C=O,C=O,y,Persson et al. (18),3.60E+16,16.5563025,"[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 2, 0, 0, 0]"
H2C(17O),C=[17O],C=O,C=O,y,Persson et al. (18),7.20E+14,14.8573325,"[-1.4616807, -0.0077930912, 1.186842, -1.1170171, 0.4905947, -0.557905, -0.52113277, 0.47294647, 1.2168386, 0.16998932, 0.8055184, 0.16773945, 0.81644726, 0.6735945, -0.26818538, -0.1750798, -0.26173338, 0.7405493, 0.8993226, -1.2414172, -0.04342521, -0.10381867, -1.1612722, 0.27128872, 1.2406392, -0.7916244, -0.1062294, 0.79384583, 0.3103458, -0.30297515, 0.24608126, 0.2786239, 0.10339834, -0.32807732, -0.33533758, -0.42624196, -0.8616778, -0.27156916, -0.27039996, -0.534196, 0.046269186, -0.6147089, 1.242153, -0.6473872, -0.05424655, -0.3982855, 1.0537621, 0.06552137, -0.5598567, 0.375204, -0.78340006, -0.21061382, -0.74558413, 0.9195237, 0.978189, 0.057884138, -0.31830603, -1.320655, -0.17172207, -0.09781023, -0.11156112, -0.29846218, 1.3866291, 0.31933558, -0.041189864, 0.1595263, 1.1543539, 0.10041744, -0.81446606, -1.2363162]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
H2C(18O),C=[18O],C=O,C=O,y,Persson et al. (18),2.30E+15,15.36172784,"[-2.2240467, 0.7614501, 1.2434837, -1.1446544, 0.7739296, -0.3619633, -1.3705198, 1.0794743, 1.3547745, -0.74737084, 1.0343326, 0.5286189, -0.052259475, 0.27555788, -0.6512274, -0.425017, -0.117552936, 0.4611308, 0.731598, -1.6902764, -0.01019536, 0.22256058, -1.0360667, -1.0838022, 0.79894245, -0.94648, 0.26720792, 0.19550553, 0.42782632, -0.7880286, 0.26898497, -0.19804633, 0.109100804, -0.32205597, -0.50308603, -0.4221309, -0.3937355, -0.02027627, -0.9808006, 0.21234062, 0.25810808, -0.5763218, 0.48288938, -0.31703004, -0.36790073, -0.19060199, 1.4336836, 0.12860864, -0.8536653, 0.58020097, -1.3900348, -0.019727468, -0.47359702, 0.82096636, 0.7088784, 0.69172716, -0.8977128, -1.0654474, -0.5724848, 0.006861355, 0.080494165, -0.7500952, 1.6254787, 0.7990464, -0.75876206, -0.68876344, 1.3980488, 0.25160912, -0.84802383, -0.95772517]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
HDCO,[2H]C=O,C=O,C=O,y,Persson et al. (18),1.30E+17,17.11394335,"[-3.9484699, 2.1741154, 2.4107625, -1.2751466, 1.0614526, 0.9096968, -1.6660619, 2.723466, 1.630599, 0.7647687, 2.7401538, 0.17405564, 1.7590353, 0.429813, 0.25418544, -1.9671272, -1.8154179, 2.7186677, 3.005904, -3.4131768, -1.7067378, 0.5854658, 0.82654595, -1.9056191, -1.2077916, 0.25693107, 1.3579634, 2.3610907, 0.49736106, -3.307176, 0.87450767, -1.5515907, -1.071696, -0.36150515, -0.35964534, -0.48001295, -0.3090456, 1.2337743, -0.51190853, 0.076651186, 0.86504924, -1.6547961, 0.7400319, -1.290741, 0.26573122, 0.8648723, 4.2160544, -1.552865, 1.2740302, 0.8975362, -1.7172804, -1.0572929, -1.1438208, 3.0847793, 0.25270632, 0.6049232, -4.3010387, -1.390934, -1.4452589, -0.59205586, -0.68827724, -0.3206208, 2.7774105, 3.568081, -0.017210186, -0.76799935, 1.1705095, -0.18940908, -1.0209671, -1.3392527]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 2, 1, 0, 1]"
D2CO,[2H]C([2H])=O,C=O,C=O,y,Persson et al. (18),1.60E+16,16.20411998,"[-5.884587, 3.4115567, 3.7565334, -1.918779, 0.65642524, 1.7941847, -2.015356, 4.2797837, 2.0916686, 0.73786056, 3.4916143, 0.017694242, 2.970899, -0.10743507, -1.0571355, -3.4041224, -2.0394638, 4.257032, 4.411147, -5.437772, -2.5380652, 0.93844247, 1.4042733, -3.521897, -1.1798024, -0.005197704, 2.3067608, 3.4444385, 0.6180234, -4.762711, 1.6463084, -1.7881973, -2.069382, -0.6435653, -1.3435917, -0.49701536, 0.08883859, 1.172231, -0.11706868, 0.49956316, 1.4596123, -1.7651507, 0.5831059, -1.809444, 0.245677, 1.9842924, 4.7393394, -2.7810946, 2.0540342, 1.4896061, -2.0771103, -1.3626695, -1.6200671, 4.649921, -0.4483792, 0.54974055, -6.0441837, -2.5679722, -3.027357, -0.5415862, -0.27034146, -0.29631224, 4.692322, 5.2832046, -0.34136716, -0.92715013, 1.2879273, 0.30944806, -1.0509871, -1.88988]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 2, 1, 0, 2]"
D2(13C)O,[2H][13C]([2H])=O,[2H]C([2H])=O,C=O,y,Persson et al. (18),2.20E+14,14.34242268,"[-5.884587, 3.4115567, 3.7565334, -1.918779, 0.65642524, 1.7941847, -2.015356, 4.2797837, 2.0916686, 0.73786056, 3.4916143, 0.017694242, 2.970899, -0.10743507, -1.0571355, -3.4041224, -2.0394638, 4.257032, 4.411147, -5.437772, -2.5380652, 0.93844247, 1.4042733, -3.521897, -1.1798024, -0.005197704, 2.3067608, 3.4444385, 0.6180234, -4.762711, 1.6463084, -1.7881973, -2.069382, -0.6435653, -1.3435917, -0.49701536, 0.08883859, 1.172231, -0.11706868, 0.49956316, 1.4596123, -1.7651507, 0.5831059, -1.809444, 0.245677, 1.9842924, 4.7393394, -2.7810946, 2.0540342, 1.4896061, -2.0771103, -1.3626695, -1.6200671, 4.649921, -0.4483792, 0.54974055, -6.0441837, -2.5679722, -3.027357, -0.5415862, -0.27034146, -0.29631224, 4.692322, 5.2832046, -0.34136716, -0.92715013, 1.2879273, 0.30944806, -1.0509871, -1.88988]","[-1.6243298, 0.5783266, 0.66634357, -0.80951804, 1.2336766, 0.04522714, -1.3704237, 0.65831757, 0.8637982, 0.8302376, 1.5561874, 0.47468022, 0.26374525, 1.0463517, 1.6722184, -0.2750622, -1.3783267, 0.57835776, 1.3227814, -1.0935292, -0.91954523, 0.30792823, 0.0789959, -0.11520736, -1.0836115, -0.13671115, 0.12970538, 0.92959964, 0.2561408, -1.1818817, 0.017839521, -1.2815992, 0.3902031, -0.07923129, 0.3769004, -0.47300857, -0.9720571, 0.81084776, -1.1456565, 0.07319528, 0.021271246, -1.1904125, 0.9303399, -0.27082145, 0.3071788, -0.5148699, 2.61521, -0.6670203, 0.12543286, 0.19106174, -1.0088304, -0.515579, -0.4870627, 1.174911, 0.7122726, 0.5744631, -1.5689534, -0.19809279, 0.10656625, -0.7693717, -0.8505471, -0.13937199, 0.890092, 1.3497483, 0.2180482, -0.76177025, 0.9376425, -0.6016351, -0.760741, -0.5866861, 2, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 2, 0, 2, 1, 0, 2]"
CH3OCH2OH,COCO,Main,Main,n,Manigand (year?),1.40E+17,17.15,"[-1.6986465, 1.4637952, 0.1893526, 0.72561526, 7.369113, -0.055111468, -3.2264266, -1.3752602, 1.9754794, 1.9044123, 2.0288603, -1.6524478, 1.1899056, 2.1683686, 3.4742444, 0.8889843, -5.875733, -0.072182566, 3.4055076, -1.0978047, 0.25155845, -0.024682704, 4.0579925, 0.5430476, -5.1186233, -1.8583832, -2.0876398, 1.5765411, 3.8082995, -1.1161306, 1.9695446, -3.704624, -1.1572796, -3.3348682, 0.45890376, -0.32454878, -4.3310385, 2.179603, -1.3954995, 1.7923856, 2.1708288, -1.4022005, -0.695891, 0.1624811, 3.9591331, -3.1250103, 5.1541376, -1.8931377, 1.0797718, 0.42724153, -1.3996656, -0.16805471, -0.66313344, -0.13134706, 1.8555999, -0.5618675, -2.288696, -1.3697835, -0.63072044, -1.3800393, -1.4455447, 0.5733033, 1.9898345, 6.540579, -1.3758979, -1.3203219, 0.4618389, 3.4254336, -0.19007666, 2.7933326]","[-1.6986465, 1.4637952, 0.1893526, 0.72561526, 7.369113, -0.055111468, -3.2264266, -1.3752602, 1.9754794, 1.9044123, 2.0288603, -1.6524478, 1.1899056, 2.1683686, 3.4742444, 0.8889843, -5.875733, -0.072182566, 3.4055076, -1.0978047, 0.25155845, -0.024682704, 4.0579925, 0.5430476, -5.1186233, -1.8583832, -2.0876398, 1.5765411, 3.8082995, -1.1161306, 1.9695446, -3.704624, -1.1572796, -3.3348682, 0.45890376, -0.32454878, -4.3310385, 2.179603, -1.3954995, 1.7923856, 2.1708288, -1.4022005, -0.695891, 0.1624811, 3.9591331, -3.1250103, 5.1541376, -1.8931377, 1.0797718, 0.42724153, -1.3996656, -0.16805471, -0.66313344, -0.13134706, 1.8555999, -0.5618675, -2.288696, -1.3697835, -0.63072044, -1.3800393, -1.4455447, 0.5733033, 1.9898345, 6.540579, -1.3758979, -1.3203219, 0.4618389, 3.4254336, -0.19007666, 2.7933326, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
H2CS,C=S,Main,Main,n,Drozdovskaya (18),1.30E+15,15.11,"[-1.2388573, 0.66435623, 1.340613, -1.5819569, 0.5805816, -1.0966835, -0.53774464, 0.08517107, 0.9387175, 0.8589106, 1.8318535, -0.17986533, 0.35092968, 0.6227964, -0.02561292, -0.68927103, -0.96473765, -0.56639695, 2.7199697, -0.6496668, -0.7210771, 0.24670774, -0.52272636, -0.6355293, 0.77514535, -0.2468585, -0.3175429, 1.9844438, 0.34880185, -1.3857982, 1.4866494, -0.8899219, 0.9846005, -0.05202204, 0.34621048, -0.9990332, -1.1571355, -0.47890425, -0.55673796, -0.17859644, -0.12835921, -1.0527141, 0.72340405, -1.1986793, 0.95094115, -1.0633676, 0.8198043, -0.6763394, -0.705547, 1.1053972, -0.7804949, -0.20322728, -0.56539834, 1.9798846, 0.5036312, 0.5290752, -1.3341379, 1.0449078, 0.22804841, 0.3356797, -1.1373804, 0.0829007, 1.8406422, 2.0770526, 0.651262, -1.3253179, 1.5755215, 0.3360524, -0.69545513, -0.62797856]","[-1.2388573, 0.66435623, 1.340613, -1.5819569, 0.5805816, -1.0966835, -0.53774464, 0.08517107, 0.9387175, 0.8589106, 1.8318535, -0.17986533, 0.35092968, 0.6227964, -0.02561292, -0.68927103, -0.96473765, -0.56639695, 2.7199697, -0.6496668, -0.7210771, 0.24670774, -0.52272636, -0.6355293, 0.77514535, -0.2468585, -0.3175429, 1.9844438, 0.34880185, -1.3857982, 1.4866494, -0.8899219, 0.9846005, -0.05202204, 0.34621048, -0.9990332, -1.1571355, -0.47890425, -0.55673796, -0.17859644, -0.12835921, -1.0527141, 0.72340405, -1.1986793, 0.95094115, -1.0633676, 0.8198043, -0.6763394, -0.705547, 1.1053972, -0.7804949, -0.20322728, -0.56539834, 1.9798846, 0.5036312, 0.5290752, -1.3341379, 1.0449078, 0.22804841, 0.3356797, -1.1373804, 0.0829007, 1.8406422, 2.0770526, 0.651262, -1.3253179, 1.5755215, 0.3360524, -0.69545513, -0.62797856, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
C(33S),[C-]#[33S+],C=S,C=S,y,Drozdovskaya et al. (18),8.00E+13,13.90308999,"[0.6782115, 0.3715282, 2.2669625, -0.6108184, -0.16065031, 0.1119389, -0.49385506, 0.6225596, 2.6898708, 1.1380582, -0.12361883, 0.20163132, 0.19523343, -0.390958, 1.0306313, -0.02739913, 0.14393884, 0.36056262, 3.0141206, 1.0385231, -0.56645405, 0.17405407, -0.12485057, -0.1149866, 1.0890579, 0.060486645, 0.31508967, 1.35667, 0.3814726, -0.6708506, 0.9490848, -0.012849025, 0.029843517, 0.18386725, -1.9499238, 1.1600137, -0.5286846, 1.1716418, -0.6161477, 1.0712315, -0.020153295, -0.5803349, 0.2971307, -0.43984693, -1.138487, -0.35099158, -1.1653055, 0.44787347, -0.6269671, 1.1421862, -1.612988, -0.334858, -0.9298165, -0.25330988, 0.63675064, 0.29497394, -1.4699531, -0.522235, -0.71020967, 0.35284972, 0.35362467, -0.2542928, 1.8738804, 1.176966, 0.06316982, 0.2901815, -1.6585591, -0.19158517, 0.14887246, -2.1035442]","[-1.2388573, 0.66435623, 1.340613, -1.5819569, 0.5805816, -1.0966835, -0.53774464, 0.08517107, 0.9387175, 0.8589106, 1.8318535, -0.17986533, 0.35092968, 0.6227964, -0.02561292, -0.68927103, -0.96473765, -0.56639695, 2.7199697, -0.6496668, -0.7210771, 0.24670774, -0.52272636, -0.6355293, 0.77514535, -0.2468585, -0.3175429, 1.9844438, 0.34880185, -1.3857982, 1.4866494, -0.8899219, 0.9846005, -0.05202204, 0.34621048, -0.9990332, -1.1571355, -0.47890425, -0.55673796, -0.17859644, -0.12835921, -1.0527141, 0.72340405, -1.1986793, 0.95094115, -1.0633676, 0.8198043, -0.6763394, -0.705547, 1.1053972, -0.7804949, -0.20322728, -0.56539834, 1.9798846, 0.5036312, 0.5290752, -1.3341379, 1.0449078, 0.22804841, 0.3356797, -1.1373804, 0.0829007, 1.8406422, 2.0770526, 0.651262, -1.3253179, 1.5755215, 0.3360524, -0.69545513, -0.62797856, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
HDCS,[2H]C=S,C=S,C=S,y,Drozdovskaya et al. (18),1.50E+14,14.17609126,"[-3.5053263, 2.0597427, 3.038822, -2.2418725, 0.254507, -0.41908687, -0.7771882, 1.8973005, 1.6811359, 0.73009247, 2.946825, -0.61625236, 1.7870452, -0.05754435, -1.5681394, -2.4806764, -1.3278217, 1.2461536, 4.5651813, -3.1169484, -1.7248914, 0.5375426, 0.04664217, -2.6139956, 0.8881721, -0.15781501, 0.8987876, 3.4800482, 0.6980134, -3.3544207, 2.486328, -1.1851693, -0.14181834, -0.29698136, -0.41342786, -0.97019863, -0.71614426, -0.43978634, -0.045577765, -0.17512947, 0.5715771, -1.2877667, 0.5297746, -2.3510656, 1.0020688, 0.09796174, 1.7872812, -1.6125576, 0.17878994, 1.9486978, -1.412354, -0.6113095, -1.1836194, 4.142008, 0.07555422, 0.4858072, -3.935112, -0.16747707, -1.5151899, 0.8025881, -1.1668477, -0.0033718348, 4.08528, 4.4237037, 0.4097616, -1.3379811, 1.8768523, 0.85154164, -0.91163564, -1.345878]","[-1.2388573, 0.66435623, 1.340613, -1.5819569, 0.5805816, -1.0966835, -0.53774464, 0.08517107, 0.9387175, 0.8589106, 1.8318535, -0.17986533, 0.35092968, 0.6227964, -0.02561292, -0.68927103, -0.96473765, -0.56639695, 2.7199697, -0.6496668, -0.7210771, 0.24670774, -0.52272636, -0.6355293, 0.77514535, -0.2468585, -0.3175429, 1.9844438, 0.34880185, -1.3857982, 1.4866494, -0.8899219, 0.9846005, -0.05202204, 0.34621048, -0.9990332, -1.1571355, -0.47890425, -0.55673796, -0.17859644, -0.12835921, -1.0527141, 0.72340405, -1.1986793, 0.95094115, -1.0633676, 0.8198043, -0.6763394, -0.705547, 1.1053972, -0.7804949, -0.20322728, -0.56539834, 1.9798846, 0.5036312, 0.5290752, -1.3341379, 1.0449078, 0.22804841, 0.3356797, -1.1373804, 0.0829007, 1.8406422, 2.0770526, 0.651262, -1.3253179, 1.5755215, 0.3360524, -0.69545513, -0.62797856, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 2, 0, 0, 0]"
C2H5CHO,CCC=O,Main,Main,n,Lykke et al. (17),2.20E+15,15.34,"[-2.5894015, 1.7271628, -1.7125201, -1.9125202, 5.6784863, 1.4344978, -3.7828796, 1.1101972, 2.465202, 3.2191114, 2.4045544, -0.56801224, 0.36922798, 2.6739702, 3.564641, 1.2029272, -6.0208993, 1.7627208, 2.3757594, -0.5645684, -0.44650957, -0.3730021, 2.7929885, 0.29703313, -5.747459, -2.8680754, -2.522692, 2.686894, 2.4196904, -0.2742496, 0.8762407, -4.0482407, 0.15695444, 0.13427635, -1.5735475, -0.27845547, -2.8743744, 3.5112631, -1.0330555, 0.36310655, 0.17092478, -3.416936, -0.9177394, -2.4005268, 1.5583646, -3.049353, 5.0824914, 1.2754372, -0.13968438, 0.9187135, -2.361687, -1.4128318, 3.1243823, 1.5509356, 2.7451904, 1.1128534, -2.5362015, -2.1522603, -0.6355382, -1.6147715, -0.03756985, 0.7991837, 1.4457121, 5.7510214, -0.7414927, -0.2819889, 0.9106791, 0.6855849, -0.14382759, 1.5288533]","[-2.5894015, 1.7271628, -1.7125201, -1.9125202, 5.6784863, 1.4344978, -3.7828796, 1.1101972, 2.465202, 3.2191114, 2.4045544, -0.56801224, 0.36922798, 2.6739702, 3.564641, 1.2029272, -6.0208993, 1.7627208, 2.3757594, -0.5645684, -0.44650957, -0.3730021, 2.7929885, 0.29703313, -5.747459, -2.8680754, -2.522692, 2.686894, 2.4196904, -0.2742496, 0.8762407, -4.0482407, 0.15695444, 0.13427635, -1.5735475, -0.27845547, -2.8743744, 3.5112631, -1.0330555, 0.36310655, 0.17092478, -3.416936, -0.9177394, -2.4005268, 1.5583646, -3.049353, 5.0824914, 1.2754372, -0.13968438, 0.9187135, -2.361687, -1.4128318, 3.1243823, 1.5509356, 2.7451904, 1.1128534, -2.5362015, -2.1522603, -0.6355382, -1.6147715, -0.03756985, 0.7991837, 1.4457121, 5.7510214, -0.7414927, -0.2819889, 0.9106791, 0.6855849, -0.14382759, 1.5288533, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
C2H3CN,C=CC#N,Main,Main,n,Calcutt et al. (2018b),7.40E+14,14.87,"[-3.1890066, 1.7893735, 1.3352102, -2.650023, 3.55966, 1.0344043, -5.1951013, 0.19540074, 3.6375463, 1.901383, 3.2313857, 0.15260488, 1.7518171, 4.961485, 5.159435, -0.44516465, -4.4607067, 2.3779254, 3.425601, -0.44587457, -2.4111555, -0.9589638, 1.4980981, 1.0359356, -2.0887237, -3.5764165, -2.625144, 4.1599627, 1.5825504, -3.848673, 2.8966365, -1.7001798, -2.4620101, -0.26864785, -2.4118905, 1.0552175, -4.573586, 3.7944381, -2.1912966, -0.18294501, -0.8147853, -2.5393515, 1.226754, -0.6928662, 1.9977994, -1.4636037, 2.9901175, -3.546623, 0.89407617, 2.2160988, -3.1318145, -2.4822578, 2.682289, 2.5117843, 3.664888, 1.7449157, -2.013197, -0.07408063, -1.8368368, -2.113964, 1.4491116, -0.5434648, 4.2361236, 5.4221683, -0.5124116, -0.66846824, -3.1988862, -0.32179877, -3.2340543, -0.14513701]","[-3.1890066, 1.7893735, 1.3352102, -2.650023, 3.55966, 1.0344043, -5.1951013, 0.19540074, 3.6375463, 1.901383, 3.2313857, 0.15260488, 1.7518171, 4.961485, 5.159435, -0.44516465, -4.4607067, 2.3779254, 3.425601, -0.44587457, -2.4111555, -0.9589638, 1.4980981, 1.0359356, -2.0887237, -3.5764165, -2.625144, 4.1599627, 1.5825504, -3.848673, 2.8966365, -1.7001798, -2.4620101, -0.26864785, -2.4118905, 1.0552175, -4.573586, 3.7944381, -2.1912966, -0.18294501, -0.8147853, -2.5393515, 1.226754, -0.6928662, 1.9977994, -1.4636037, 2.9901175, -3.546623, 0.89407617, 2.2160988, -3.1318145, -2.4822578, 2.682289, 2.5117843, 3.664888, 1.7449157, -2.013197, -0.07408063, -1.8368368, -2.113964, 1.4491116, -0.5434648, 4.2361236, 5.4221683, -0.5124116, -0.66846824, -3.1988862, -0.32179877, -3.2340543, -0.14513701, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
OCS,O=C=S,Main,Main,n,Drozdovskaya (18),2.50E+17,17.4,"[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384]","[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
O(13C)S,O=[13C]=S,O=C=S,O=C=S,y,Drozdovskaya et al. (18),5.00E+15,15.69897,"[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384]","[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 3, 0, 0, 0]"
OC(34S),O=C=[34S],O=C=S,O=C=S,y,Drozdovskaya et al. (18),1.00E+16,16,"[-0.40452144, 0.3992139, 0.87544394, -1.1806878, 2.9444573, 0.38887766, -1.822266, 1.0618365, 2.568349, 0.30906916, 1.390744, -0.57512647, 1.0976727, 0.49805573, 2.4187438, -0.96291447, -0.6644018, 0.42537808, 1.1363708, -0.2295407, -1.0077817, 0.95777106, 0.18218139, 0.6247661, -1.3280538, -0.34557772, -1.6771897, 0.9990923, 1.2901173, -0.62779665, 0.4364708, -1.1335771, 0.46754986, -0.021416396, -0.17658395, 0.1126364, -1.1631843, 1.7201241, -0.44526693, -0.06011507, 0.07507606, -1.6960924, -0.589064, -0.6981564, -0.0826059, -2.1472118, 1.8703578, -1.3849604, -0.9328034, 2.0516133, 0.21791194, 0.7303901, 0.8030441, 0.105101384, 1.540451, -0.5108869, -1.7518579, -0.9854048, -2.2542846, -0.344329, 0.40706983, -0.013810137, 1.6529757, 2.4188232, -0.36883256, -0.95890415, -0.8770597, -0.467344, -0.51682127, -1.4573911]","[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
OC(33S),O=C=[33S],O=C=S,O=C=S,y,Drozdovskaya et al. (18),3.00E+15,15.47712125,"[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384]","[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
(18O)CS,[18O]=C=S,O=C=S,O=C=S,y,Drozdovskaya et al. (18),5.00E+14,14.69897,"[-1.1759727, 0.635686, 2.007282, -1.7325672, 2.3701491, -1.8942946, -2.4379768, 0.9531128, 3.488871, -0.7577203, 2.2148306, -0.92971057, 1.0419538, -0.2010295, -0.28210688, -1.3465781, 0.827744, -0.85636395, 2.3989038, -1.0229161, -0.018126786, 1.2344034, -0.5450703, -1.0075396, 0.58274233, -1.4613296, -1.6457298, 1.7539825, 1.6427126, -0.25509602, 2.2964728, -1.0649338, 1.1327546, -0.79090756, -1.0987833, -0.54367405, -1.4042692, 0.6659369, -0.91856694, 0.6462436, -0.033162594, -2.1138983, 0.17353016, -1.688745, 1.105443, -2.5657625, 0.37132192, -1.239239, -3.0510764, 4.1264515, -0.5449512, 1.4206035, 0.78765166, 1.4672294, 1.1050799, 0.386645, -1.4435787, -0.13716733, -2.2192602, 0.8121399, 0.73408407, -0.5358826, 2.0061457, 3.21565, -0.7221494, -2.9104137, -0.014225371, 0.86027706, -0.021753669, -1.6500481]","[0.6375394, 0.06093948, 1.8493009, -1.823439, 4.784813, -0.9700305, -2.4398744, 1.0458803, 4.052808, 0.4944261, 3.267141, -1.7498877, 1.6431713, 1.0250554, 2.3671956, -1.6380303, -0.14845738, -0.95537096, 2.1437144, 0.380724, -0.929386, 1.8057785, 0.0767657, 0.6631137, -1.0622199, -0.35589564, -3.2845066, 3.1444664, 1.4019802, -0.52900857, 2.0071814, -2.3149455, 1.9610368, -0.48781222, -0.5524031, -0.070823975, -2.030549, 1.6609149, -0.71052814, 0.67177653, 0.00503242, -3.485488, -0.875135, -2.4567213, 2.126811, -3.737035, 2.4160323, -2.9781845, -2.441307, 4.918736, 0.6229025, 1.2702608, 1.9526482, 2.0428987, 1.8883069, -0.35780117, -2.4356425, 0.84822935, -1.8760813, -0.2406574, 0.20543325, 0.09032233, 1.5429279, 3.6100762, 0.35548672, -3.771885, -0.8027725, 0.62923384, 0.06883311, -1.3867384, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
HNCO,N=C=O,Main,Main,n,Ligertink et al. (2017),3.70E+16,16.57,"[1.1731429, 1.759617, 1.6519883, -2.2019446, 5.31933, 0.13222733, -3.6397645, 0.7863431, 3.8706164, 1.3431144, 3.3702781, -2.2723212, 2.13905, 0.18667173, 5.2243533, -2.482027, 0.5118701, -0.8195801, 1.2618035, -1.4777672, -1.2640878, 1.9030118, 2.2569203, 0.74515444, -2.3345497, -1.620529, -1.9321651, 2.2188728, 2.3697293, -1.1404347, 0.9393227, -2.306081, 1.8336453, -0.12585993, 0.22465266, -0.7150615, 0.3811956, 2.8263402, -1.0450286, 0.678941, 0.36114144, -3.9098833, -1.2646466, -1.1215919, 2.01369, -2.466803, 2.8776429, -2.1838796, -0.36202866, 3.260137, 0.8607464, -0.3000872, 1.8502742, 2.1648386, 2.29276, -1.6607336, -3.6752806, -0.81362706, -3.2301774, -0.16641682, 0.27192628, -0.26870936, 1.0029578, 2.5426304, -0.76277995, -2.598854, -1.2505009, -0.93003744, -1.0955672, -2.4642215]","[1.1731429, 1.759617, 1.6519883, -2.2019446, 5.31933, 0.13222733, -3.6397645, 0.7863431, 3.8706164, 1.3431144, 3.3702781, -2.2723212, 2.13905, 0.18667173, 5.2243533, -2.482027, 0.5118701, -0.8195801, 1.2618035, -1.4777672, -1.2640878, 1.9030118, 2.2569203, 0.74515444, -2.3345497, -1.620529, -1.9321651, 2.2188728, 2.3697293, -1.1404347, 0.9393227, -2.306081, 1.8336453, -0.12585993, 0.22465266, -0.7150615, 0.3811956, 2.8263402, -1.0450286, 0.678941, 0.36114144, -3.9098833, -1.2646466, -1.1215919, 2.01369, -2.466803, 2.8776429, -2.1838796, -0.36202866, 3.260137, 0.8607464, -0.3000872, 1.8502742, 2.1648386, 2.29276, -1.6607336, -3.6752806, -0.81362706, -3.2301774, -0.16641682, 0.27192628, -0.26870936, 1.0029578, 2.5426304, -0.76277995, -2.598854, -1.2505009, -0.93003744, -1.0955672, -2.4642215, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0]"
DNCO,[2H]N=C=O,N=C=O,N=C=O,y,Coutens et al. (16),3.00E+14,14.47712125,"[-0.83556134, 3.0618293, 3.200736, -2.507076, 4.633478, -0.16983643, -3.7995846, 2.4811835, 3.8855648, 0.95975435, 3.6978867, -2.5125847, 3.3323183, -1.6340077, 3.8208327, -4.384427, 0.32439876, -0.03144125, 2.6326792, -3.344984, -0.39836532, 1.5256951, 4.0281606, -1.1376365, -2.6293135, -2.0347073, -1.0866114, 3.0955184, 2.6952744, -1.60134, 0.6643604, -1.6079515, 0.88719594, -0.4424729, -0.32989377, -0.6035163, 0.40455717, 2.2723823, -0.28707832, 0.28617832, 0.3205335, -3.8003514, -1.6083488, -2.1822066, 1.8975371, -2.3163495, 2.3351429, -1.9351938, -0.40614542, 3.3241532, 0.031769753, -1.1607533, 1.0849823, 3.04303, 1.4639659, -2.4621797, -6.2338667, -2.7586546, -4.3757324, 0.85541093, -0.3278191, -0.8767123, 2.9305797, 4.700409, -0.5459174, -2.7480023, -1.4952147, 0.24596632, -1.0459232, -2.5286293]","[1.1731429, 1.759617, 1.6519883, -2.2019446, 5.31933, 0.13222733, -3.6397645, 0.7863431, 3.8706164, 1.3431144, 3.3702781, -2.2723212, 2.13905, 0.18667173, 5.2243533, -2.482027, 0.5118701, -0.8195801, 1.2618035, -1.4777672, -1.2640878, 1.9030118, 2.2569203, 0.74515444, -2.3345497, -1.620529, -1.9321651, 2.2188728, 2.3697293, -1.1404347, 0.9393227, -2.306081, 1.8336453, -0.12585993, 0.22465266, -0.7150615, 0.3811956, 2.8263402, -1.0450286, 0.678941, 0.36114144, -3.9098833, -1.2646466, -1.1215919, 2.01369, -2.466803, 2.8776429, -2.1838796, -0.36202866, 3.260137, 0.8607464, -0.3000872, 1.8502742, 2.1648386, 2.29276, -1.6607336, -3.6752806, -0.81362706, -3.2301774, -0.16641682, 0.27192628, -0.26870936, 1.0029578, 2.5426304, -0.76277995, -2.598854, -1.2505009, -0.93003744, -1.0955672, -2.4642215, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 1, 0]"
HN(13C)O,N=[13C]=O,N=C=O,N=C=O,y,Coutens et al. (16),4.00E+14,14.60205999,"[1.1731429, 1.759617, 1.6519883, -2.2019446, 5.31933, 0.13222733, -3.6397645, 0.7863431, 3.8706164, 1.3431144, 3.3702781, -2.2723212, 2.13905, 0.18667173, 5.2243533, -2.482027, 0.5118701, -0.8195801, 1.2618035, -1.4777672, -1.2640878, 1.9030118, 2.2569203, 0.74515444, -2.3345497, -1.620529, -1.9321651, 2.2188728, 2.3697293, -1.1404347, 0.9393227, -2.306081, 1.8336453, -0.12585993, 0.22465266, -0.7150615, 0.3811956, 2.8263402, -1.0450286, 0.678941, 0.36114144, -3.9098833, -1.2646466, -1.1215919, 2.01369, -2.466803, 2.8776429, -2.1838796, -0.36202866, 3.260137, 0.8607464, -0.3000872, 1.8502742, 2.1648386, 2.29276, -1.6607336, -3.6752806, -0.81362706, -3.2301774, -0.16641682, 0.27192628, -0.26870936, 1.0029578, 2.5426304, -0.76277995, -2.598854, -1.2505009, -0.93003744, -1.0955672, -2.4642215]","[1.1731429, 1.759617, 1.6519883, -2.2019446, 5.31933, 0.13222733, -3.6397645, 0.7863431, 3.8706164, 1.3431144, 3.3702781, -2.2723212, 2.13905, 0.18667173, 5.2243533, -2.482027, 0.5118701, -0.8195801, 1.2618035, -1.4777672, -1.2640878, 1.9030118, 2.2569203, 0.74515444, -2.3345497, -1.620529, -1.9321651, 2.2188728, 2.3697293, -1.1404347, 0.9393227, -2.306081, 1.8336453, -0.12585993, 0.22465266, -0.7150615, 0.3811956, 2.8263402, -1.0450286, 0.678941, 0.36114144, -3.9098833, -1.2646466, -1.1215919, 2.01369, -2.466803, 2.8776429, -2.1838796, -0.36202866, 3.260137, 0.8607464, -0.3000872, 1.8502742, 2.1648386, 2.29276, -1.6607336, -3.6752806, -0.81362706, -3.2301774, -0.16641682, 0.27192628, -0.26870936, 1.0029578, 2.5426304, -0.76277995, -2.598854, -1.2505009, -0.93003744, -1.0955672, -2.4642215, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 3, 0, 0, 0]"
C2H3CHO,C=CC=O,Main,Main,n,Manigand et al. (20),3.40E+14,14.53,"[-5.7632194, 0.28119725, 0.1306507, -2.9283888, 4.2700896, 2.314621, -4.933164, 0.79149675, 2.9075074, 1.5027239, 2.296246, -0.08210662, 0.36257985, 3.5960903, 4.161866, 0.056543216, -5.727114, 2.8364432, 2.4005535, -1.5198575, -1.3566769, -1.1951568, 1.8579824, -0.49839595, -3.4187546, -1.6333048, -1.947998, 3.9720416, -0.14949232, -3.0413072, 0.4581341, -2.419722, -0.42774084, 0.4378121, -2.0105639, -0.6991775, -3.508596, 1.7574104, -1.181258, -0.53948855, 0.86105865, -4.7761316, 0.30018538, -3.8641372, 2.027767, -2.8366067, 5.9884295, 0.7313808, -0.076767124, 0.42531973, -3.1390612, -2.0128293, 1.8314011, 3.446712, 3.9612336, 2.7403605, -3.2150092, -1.8632059, 0.11693022, -1.5295448, 0.87555623, -0.06638971, 1.8692188, 3.5017447, -1.9474663, -0.0065775514, 0.77371967, 0.039572507, -2.2376766, -1.0845872]","[-5.7632194, 0.28119725, 0.1306507, -2.9283888, 4.2700896, 2.314621, -4.933164, 0.79149675, 2.9075074, 1.5027239, 2.296246, -0.08210662, 0.36257985, 3.5960903, 4.161866, 0.056543216, -5.727114, 2.8364432, 2.4005535, -1.5198575, -1.3566769, -1.1951568, 1.8579824, -0.49839595, -3.4187546, -1.6333048, -1.947998, 3.9720416, -0.14949232, -3.0413072, 0.4581341, -2.419722, -0.42774084, 0.4378121, -2.0105639, -0.6991775, -3.508596, 1.7574104, -1.181258, -0.53948855, 0.86105865, -4.7761316, 0.30018538, -3.8641372, 2.027767, -2.8366067, 5.9884295, 0.7313808, -0.076767124, 0.42531973, -3.1390612, -2.0128293, 1.8314011, 3.446712, 3.9612336, 2.7403605, -3.2150092, -1.8632059, 0.11693022, -1.5295448, 0.87555623, -0.06638971, 1.8692188, 3.5017447, -1.9474663, -0.0065775514, 0.77371967, 0.039572507, -2.2376766, -1.0845872, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0]"
CH3Cl,CCl,Main,Main,n,Fayolle et al. (17),4.60E+14,14.66,"[-0.06952669, -0.40283212, -0.5937706, 0.06765951, 2.1117969, -0.052458197, -1.0273349, 0.60010606, 0.6051678, 1.4449964, 1.2723858, -0.2139343, 0.8982214, -0.2280086, 0.25702494, 0.46723977, -1.4437932, 0.120549574, 1.4990516, 0.2303147, -0.5446901, 0.2774716, 0.102887236, -0.25759667, -0.011269018, -0.34404695, -0.79859906, 0.6049307, 0.48483077, -0.06616682, 0.8153974, -0.9038346, -0.18430202, -1.4661449, -0.9236541, -1.4160267, -0.41347498, 1.4987832, -0.6167798, -0.39553446, -0.6797439, -1.2525396, -0.056115407, 0.5294469, 0.32607335, 0.017061174, 1.5558859, -0.9688152, 0.7526123, 0.29685652, -0.07283722, -0.8050274, 0.07241467, 0.60324425, 0.7625944, 0.20685348, -1.4366404, 0.97356176, -0.039727632, -0.79369783, -0.7885046, 1.0631263, 0.44697827, 1.2695554, -0.14895394, 0.14141047, 0.5820449, 0.46400392, 0.055425018, -0.6839698]","[-0.06952669, -0.40283212, -0.5937706, 0.06765951, 2.1117969, -0.052458197, -1.0273349, 0.60010606, 0.6051678, 1.4449964, 1.2723858, -0.2139343, 0.8982214, -0.2280086, 0.25702494, 0.46723977, -1.4437932, 0.120549574, 1.4990516, 0.2303147, -0.5446901, 0.2774716, 0.102887236, -0.25759667, -0.011269018, -0.34404695, -0.79859906, 0.6049307, 0.48483077, -0.06616682, 0.8153974, -0.9038346, -0.18430202, -1.4661449, -0.9236541, -1.4160267, -0.41347498, 1.4987832, -0.6167798, -0.39553446, -0.6797439, -1.2525396, -0.056115407, 0.5294469, 0.32607335, 0.017061174, 1.5558859, -0.9688152, 0.7526123, 0.29685652, -0.07283722, -0.8050274, 0.07241467, 0.60324425, 0.7625944, 0.20685348, -1.4366404, 0.97356176, -0.039727632, -0.79369783, -0.7885046, 1.0631263, 0.44697827, 1.2695554, -0.14895394, 0.14141047, 0.5820449, 0.46400392, 0.055425018, -0.6839698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"
CH3(37Cl),C[37Cl],CCl,CCl,y,Fayolle et al. (17),2.20E+14,14.34242268,"[-0.7105854, 0.036900155, 0.081475176, -0.64001757, 1.1223564, -0.46954644, -0.12956351, -0.32066727, 0.55088985, 0.089036815, 0.61949885, -0.80581445, 0.32966805, -0.5485218, -0.007304985, 0.0016847742, -0.4759771, 1.0526961, 0.45287213, -0.19242716, -0.11004286, 0.03582242, -0.21306476, -0.03724519, -0.0486866, -0.04558623, -0.7754667, 0.3451913, 0.9861148, -0.49136245, 0.39210185, -0.110908754, -0.45926815, -0.65547806, -0.41287068, 0.05743368, -0.34598827, 1.0207522, 0.19781406, -0.40665323, 0.11699534, -0.39329317, 0.24342322, -0.41877735, -0.50426435, -0.46469074, 0.061812036, 0.18137434, -0.26598647, 0.41886666, -0.1393315, -0.5068181, 0.015490138, 0.16604501, 0.48075023, -0.01950873, -0.51419574, -0.029082524, -1.2572538, 0.28237674, -0.026853567, 0.75056857, 0.47172037, 1.333279, -0.3152298, 0.7219906, 0.2541086, 0.12034233, 0.33550718, -0.62955594]","[-0.06952669, -0.40283212, -0.5937706, 0.06765951, 2.1117969, -0.052458197, -1.0273349, 0.60010606, 0.6051678, 1.4449964, 1.2723858, -0.2139343, 0.8982214, -0.2280086, 0.25702494, 0.46723977, -1.4437932, 0.120549574, 1.4990516, 0.2303147, -0.5446901, 0.2774716, 0.102887236, -0.25759667, -0.011269018, -0.34404695, -0.79859906, 0.6049307, 0.48483077, -0.06616682, 0.8153974, -0.9038346, -0.18430202, -1.4661449, -0.9236541, -1.4160267, -0.41347498, 1.4987832, -0.6167798, -0.39553446, -0.6797439, -1.2525396, -0.056115407, 0.5294469, 0.32607335, 0.017061174, 1.5558859, -0.9688152, 0.7526123, 0.29685652, -0.07283722, -0.8050274, 0.07241467, 0.60324425, 0.7625944, 0.20685348, -1.4366404, 0.97356176, -0.039727632, -0.79369783, -0.7885046, 1.0631263, 0.44697827, 1.2695554, -0.14895394, 0.14141047, 0.5820449, 0.46400392, 0.055425018, -0.6839698, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0]"