final_res_diff_fixed.csv

,smiles,sf,D(Am),D(Eu),C(NaNO3),C(HNO3),C(NaClO4),C(Eu(NaNO3)),C(lig),pH,Solvent,Solven_Epsilon,Surface_tension,paper,eg,conf_std,esp,pKa,paper_short,paper_full,preorg_energy
1,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,72443.6,91.2011,0.0013,1,0.0001,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
2,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,10964.78,87.0964,0.0079,1,0.0003,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
3,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,102329.3,79.4328,0.0008,1,0.001,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
4,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,173780.08,60.256,0.0003,1,0.0032,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
5,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,42657.95,14.1254,0.0003,1,0.01,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
6,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,4168.69,1.4791,0.0004,1,0.0316,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
7,C1C=CC=C(P(S)(=S)C2C(C(F)(F)F)=CC=CC=2)C=1C(F)(F)F,50.12,0.012,0.0002,1,0.1,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.26335,0.0055428892877053,-0.9980446,-2.0026195,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.13643039039016
8,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.34,8.3176,3.5481,1,0.0001,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
9,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.34,7.9433,3.3884,1,0.0003,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
10,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.51,7.9433,3.1623,1,0.001,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
11,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.63,7.5858,2.884,1,0.0032,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
12,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.69,5.2481,1.9498,1,0.01,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
13,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.09,2.4547,1.1749,1,0.0316,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
14,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,14.13,0.0079,0.0006,1,0.1,0,0,0.1,,FS-13,25,30.6,https://core.ac.uk/download/pdf/71324837.pdf,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., UNT Dig. Lib, 2008 [9]",D. R. Peterman et al. [8],-0.123695020656214
15,N(CCCC)CCCC,17000,,,0,1,0,0,0.03,6.5,Nitrobenzene,34.82,43.9,https://www.sciencedirect.com/science/article/abs/pii/S0149197007001849,-3.30625,0.00093393977582,-0.8710939,10.459446,"S. Miyashita et al., Prog. in Nuc. Ener., 50 (2), 2008 [8]",S. Miyashita et al. [9],-0.00992444010501
16,N(CCCCCCCC)CCCCCCCC,32000,,,0,1,0,0,0.03,6.25,Nitrobenzene,34.83,43.9,https://www.sciencedirect.com/science/article/abs/pii/S0149197007001849,-3.32365,0.0033589774128972,-0.9105105,10.484058,"S. Miyashita et al., Prog. in Nuc. Ener., 50 (2), 2008 [8]",S. Miyashita et al. [9],-0.02886884468694
17,N(CCCCCCCC)CCCCCCCC,6000,,,0,1,0,0,0.03,6.7,Cyclohexanone,15,34,https://www.sciencedirect.com/science/article/abs/pii/S0149197007001849,-3.32365,0.0033589774128972,-0.9105105,10.484058,"S. Miyashita et al., Prog. in Nuc. Ener., 50 (2), 2008 [8]",S. Miyashita et al. [9],-0.02886884468694
18,N(CC1C=CC=CC=1)CC1C=CC=CC=1,19000,,,0,1,0,0,0.03,5.8,Cyclohexanone,15,34,https://www.sciencedirect.com/science/article/abs/pii/S0149197007001849,-2.9317,0.0009483138560603,-0.9652771,9.277575,"S. Miyashita et al., Prog. in Nuc. Ener., 50 (2), 2008 [8]",S. Miyashita et al. [9],-0.0172473167000362
19,C1C=CC=C(P(=S)(S)C2C=CC=CC=2C(F)(F)F)C=1C(F)(F)F,182206.296,,,1,0.003,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.29645,0.0038264916095057,-0.8572268,-2.0026195,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.119129294226241
20,C1C=CC=C(P(=S)(S)C2C=CC=CC=2C(F)(F)F)C=1C(F)(F)F,44451.592,,,1,0.01,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.29645,0.0038264916095057,-0.8572268,-2.0026195,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.119129294226241
21,C1C=CC=C(P(=S)(S)C2C=CC=CC=2C(F)(F)F)C=1C(F)(F)F,2024.594,,,1,0.029,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.29645,0.0038264916095057,-0.8572268,-2.0026195,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.119129294226241
22,C1C=CC=C(P(=S)(S)C2C=CC=CC=2C(F)(F)F)C=1C(F)(F)F,48.994,,,1,0.097,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.29645,0.0038264916095057,-0.8572268,-2.0026195,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.119129294226241
23,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.711,,,1,0.003,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.123695020656214
24,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.231,,,1,0.01,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.123695020656214
25,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.52,,,1,0.029,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.123695020656214
26,C1(C(F)(F)F)C=C(C(F)(F)F)C=C(P(=S)(S)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C=1,2.916,,,1,0.097,0,0,0.1,2.5,FS-13,25,30.6,https://doi.org/10.1016/j.ica.2008.01.007,-2.3015,0.0008089223660818,-0.5761433,-0.87679595,"D. R. Peterman et al., Separ. Sci. and Tech., 45 (12–13), 2010 [10]",D. R. Peterman et al. [10],-0.123695020656214
27,C1C(Cl)=CC=C(P(=S)(S)C2C=CC(Cl)=CC=2)C=1,21,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.3798,0.0006781300640627,-1.175367,-2.2382169,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.11663053042912
28,C1C=CC=C(P(=S)(S)C2C=CC=CC=2)C=1,4.4,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.4088,0.0006665476479377,-1.150205,-2.0628645,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.115757140095866
29,C1C=C(C)C=C(P(=S)(S)C2C=C(C)C=CC=2C)C=1C,1.8,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.382,0.0011357725928555,-1.258806,-1.2245151,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.119501237709073
30,C1=CC(P(=S)(S)C2C=CC(C)=CC=2)=CC=C1C,1.3,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.4064,0.0006926874090641,-0.5891646,-1.6101463,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.119764125985057
31,C1(Cl)=CC(P(=S)(S)C2C=C(Cl)C(C)=C(Cl)C=2)=CC(Cl)=C1C,1,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.40545,0.0007126465918623,-1.169621,-2.901178,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.119805216275836
32,C(CCCCCCC)P(=S)(S)C1C=CC=CC=1,3,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.4538,0.0016555518992395,-1.221364,3.1900399,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.118467154090013
33,C(CCCCCC)P(CCCCCCC)(=S)S,2.1,,,0,0,0.1,0,0.1,2.82,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.89655,0.005263543311969,-1.337246,5.5340786,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.113403722853946
34,C(CCCCCCC)P(CCCCCCCC)(=S)S,1.4,,,0,0,0.1,0,0.1,3.51,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.8412,0.0021685408904454,-1.160044,5.792497,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.108699284930935
35,C(CCCCCCCC)P(CCCCCCCCC)(=S)S,0.3,,,0,0,0.1,0,0.1,4.9,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.8127,0.0041438952043589,-1.294729,6.0150356,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.11064240920291
36,C(CCCCC)P(CCCCCC)(=S)S,0.71,,,0,0,0.1,0,0.1,1.94,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.82605,0.0044047869237608,-1.127522,5.22848,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.0857419327840034
37,C(C)(P(S)(=S)C(C)CCCCCC)CCCCCC,8.3,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.7633,0.0044603245894972,-1.316481,6.422309,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.0919748549531505
38,C(P(S)(=S)CC(CC)CCCC)C(CC)CCCC,4.2,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.8682,0.003898232677503,-1.427261,5.6635766,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.0103257533510259
39,O(P(S)(=S)OCC(CC)CCCC)CC(CC)CCCC,1.3,,,0,0,0.1,0,0.1,,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-2.9526,0.0052095499886052,-0.86,7.191455,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.045800320895978
40,C(P(S)(=O)CC(CC)CCCCC)C(CC)CCCCC,0.96,,,0,0,0.1,0,0.1,0.86,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-3.4972,0.0052031367624097,-1.567703,6.631301,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.0681564508440715
41,O(P(S)(=O)OCC(CC)CCCC)CC(CC)CCCC,0.68,,,0,0,0.1,0,0.1,2.87,Xylene,2.57,30.1,https://www.bothonce.com/10.1524/ract.2008.1565,-3.6396,0.005263543311969,-1.304553,7.2274323,"Q. Xu et al., Radiochim. Acta, 96 (12), 2008 [11]",Q. Xu et al. [11],-0.0339994814439705
42,C(CCCCCCC)P(CCCCCCCC)(=S)S,9700,,,1,0,0,0,0.2,,Toulene,2.38,28.4,https://www.tandfonline.com/doi/full/10.1081/SEI-100107615,-2.8412,0.0104111933568567,-1.160044,5.792497,"N. P. Bessen et al., Coord. Chem. Rev., 421, (21344), 2020 [12]",N. P. Bessen et al. [12],-0.108699284930935
43,C(P(S)(=S)CC(C)CC(C)(C)C)C(C)CC(C)(C)C,9800,,,1,0,0,0,0.2,,Toluene,2.38,28.4,https://www.tandfonline.com/doi/full/10.1081/SEI-100107615,-2.7227,0.0048847453169655,-1.332467,7.850814,"N. P. Bessen et al., Coord. Chem. Rev., 421, (21344), 2020 [12]",N. P. Bessen et al. [12],-0.0985634095920886
44,C(C)(P(S)(=S)C(C)CCCCCC)CCCCCC,10000,,,1,0,0,0,0.2,,Toulene,2.38,28.4,https://www.tandfonline.com/doi/full/10.1081/SEI-100107615,-2.7633,0.0044603245894972,-1.316481,6.422309,"N. P. Bessen et al., Coord. Chem. Rev., 421, (21344), 2020 [12]",N. P. Bessen et al. [12],-0.0919748549531505
45,C(P(S)(=S)CC(CC)CCCC)C(CC)CCCC,10000,,,1,0,0,0,0.2,,Toulene,2.38,28.4,https://www.tandfonline.com/doi/full/10.1081/SEI-100107615,-2.8682,0.003898232677503,-1.427261,5.6635766,"N. P. Bessen et al., Coord. Chem. Rev., 421, (21344), 2020 [12]",N. P. Bessen et al. [12],-0.0103257533510259
46,C(P(S)(=S)CC(C)CC(C)(C)C)C(C)CC(C)(C)C,5900,,,1,0,0,0,0.5,3.5,Kerosene,1.8,27.5,https://www.sciencedirect.com/science/article/abs/pii/S0925838898000450?via%3Dihub,-2.7227,0.0048847453169655,-1.332467,7.850814,"N. P. Bessen et al., Coord. Chem. Rev., 421, (21344), 2020 [12]",N. P. Bessen et al. [12],-0.0985634095920886
47,C(P(S)(=S)CC(C)CC(C)(C)C)C(C)CC(C)(C)C,6000,7.31,0.17,1,0,0,0,0.5,3.5,Dodecane,2,25.35,https://www.tandfonline.com/doi/abs/10.1080/07366299608918326,-2.7227,0.0048847453169655,-1.332467,7.850814,"N. P. Bessen et al., Coord. Chem. Rev., 421, (21344), 2020 [12]",N. P. Bessen et al. [12],-0.0985634095920886
48,C1C=C(C2C=CC=CN=2)N=C(C2N=CC=CC=2)C=1,5.3,4.9,3.2,0,0.01,0,0,0.02,,octanol,10.3,27.6,https://doi.org/10.1021/acs.inorgchem.2c00534,-2.4098,0.0045588080228497,-2.512523,2.6820624,"X. Zhang et al. Inorg. Chem., 61 (30), 2022 [13]",X. Zhang et al. [13],-0.0401124923690758
49,C1C2C=CC3=CC=CN=C3C=2N=C2C3N=CC=CC=3CCC=12,12.5,18.5,1.5,0,0.01,0,0,0.02,,octanol,10.3,27.6,https://doi.org/10.1021/acs.inorgchem.2c00534,-2.11525,2.12512596113179e-05,-2.555835,4.675436,"X. Zhang et al. Inorg. Chem., 61 (30), 2022 [13]",X. Zhang et al. [13],-0.000301981020015774
50,C1C=C(P(=O)(C2C=CC=CC=2)C2C=CC=CC=2)N=C(C2N=NC3C4C(C)(C)C(C)(C=3N=2)CC4)C=1,26.5,0.9,0.03,0,1,0,0,0.01,,3-Fluorobenzotrifluoride,,,https://doi.org/10.1021/acs.inorgchem.2c03346,-2.11505,0.0043428994198274,,4.695961,"M. Yujie et al. Inorg. Chem., 61 (44), 2022 [14]",M. Yujie et al. [14],-0.114918039572103
51,C1C=C(P(=O)(C2C=CC=CC=2)CCCC)N=C(C2N=NC3C4C(C)(C)C(C)(C=3N=2)CC4)C=1,17,1.87,0.11,0,1,0,0,0.01,,3-Fluorobenzotrifluoride,,,https://doi.org/10.1021/acs.inorgchem.2c03346,-2.13345,0.0059383857350035,-3.057966,5.996975,"M. Yujie et al. Inorg. Chem., 61 (44), 2022 [14]",M. Yujie et al. [14],-0.10423454335205
52,P(OC)(OC)(OC)=O,12.3,0.0046,0.00037,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-4.502,0.0010085414586103,-1.379531,5.2864723,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0055123782319697
53,P(OCCCC)(OCCCC)(OCCCC)=O,31.2,2.13,0.068,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-4.27355,0.002565549191151,-1.527348,-0.31641388,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0216094747149782
54,P(OCCCCCC)(OCCCCCC)(OCCCCCC)=O,48.3,1.59,0.033,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-4.3086,0.0026372825477381,-1.367497,4.198478,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.029297283636879
55,P(OCCCCCCCC)(OCCCCCCCC)(OCCCCCCCC)=O,687,1.06,0.002,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-4.01155,0.0018176663933125,-1.43383,6.8608027,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0448060407879893
56,P(OCC(CC)CCCC)(OCC(CC)CCCC)(OCC(CC)CCCC)=O,1056.7,1.28,0.001,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-2.9952,0.0047338289297644,-1.302366,7.5038176,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0339501547089184
57,P(OC1C=CC=CC=1)(OC1C=CC=CC=1)(OC1C=CC=CC=1)=O,8.1,0.0017,0.00022,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-2.9952,0.0012550658652099,-1.446659,-6.137966,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0470249351378697
58,P(OCC=C)(OCC=C)(OCC=C)=O,32.1,0.477,0.015,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-3.38435,0.002865124890213,-1.391081,-0.20033653,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0082772122809728
59,P(CCCC)(CCCC)(CCCC)=O,18.5,76.52,4.13,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-3.7831,0.0020929293313769,-1.887913,6.1501465,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.090971762463937
60,P(CCCCCCCC)(CCCCCCCC)(CCCCCCCC)=O,27.9,152.25,5.46,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-3.58735,0.004839273533648,-1.824521,7.3951063,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.10583530804206
61,P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=O,38.5,69.5,1.8,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-2.96435,0.0004085789264585,-1.726976,-2.701394,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.0802527929870393
62,CCCCCCCCP(CC(CC(C)(C)C)C)(CC(CC(C)(C)C)C)=O,24.7,1.73,0.069,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-3.54075,0.0045246055882425,-1.624568,9.805895,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.269064935281904
63,CC(C)C[P](=S)(CC(C)C)CC(C)C,10.2,0.02,0.002,0,0.2,0,0,0.25,,Toluene,2.38,28.4,https://pubs.rsc.org/en/content/articlelanding/2001/NJ/b006745h,-2.9839,0.0024055033463355,-1.516331,5.5376587,"G. Ionova et al., New J. Chem., 25 (3), 2001 [15]",G. Ionova et al. [16],-0.147049238242062
64,C1C(P(=O)(C2C=CC=CC=2)C2C=C(C)C=C(C)C=2)=NC(P(=O)(C2C=C(C)C=C(C)C=2)C2C=CC=CC=2)=CC=1,19,160,8,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,,0.0040828477433953,-3.43,,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.145233550301782
65,C1C(P(CC2C=C(O)C=CC=2)=O)=NC(P=O)=CC=1,4,5.2,1.4,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-1.4783,0.0082622030430989,-2.5,-0.09861399,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.0911648438739121
66,C1C(P(C2C=CC=CC=2)=O)=NC(P=O)=CC=1,7,20,3,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-1.81515,0.0026850202946671,-2.71,-1.0712702,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.105423158587882
67,C1C(P(C2C=CC=CC=2)(CCCCCCCC)=O)=NC(P(CCCCCCCC)(C2C=CC=CC=2)=O)=CC=1,5,1.8,0.4,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.5908,0.0049161772726677,-3.42,3.7189012,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.189849108914586
68,C1C(P(C2C=C(C)C=C(C)C=2)=O)=NC(P=O)=CC=1,42,1248,30,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-1.57815,0.0077620109141459,-2.47,-0.59197724,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.109083212136056
69,C1C(P(C(O)(C)C)(C2C=CC=CC=2)=O)=NC(P(C(O)(C)C)(C2C=CC=CC=2)=O)=CC=1,2,0.045,0.027,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.34765,0.0034064170296604,-3.35,5.264068,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.190501034395993
70,C1C(P(CCCCCCCC)=O)=NC(P(C2C=CC=CC=2)=O)=CC=1,8,42,5,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.76825,0.0056600768566734,-3.13,2.600499,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.107971525495032
71,C1C(P(CCCCCCCC)=O)=NC(P=O)=CC=1,5,9.5,1.8,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.195,0.0082247537713883,-2.71,2.5612838,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.0993962129039118
72,C1C(P(C(O)(C)C)=O)=NC(P=O)=CC=1,1,0.002,0.002,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-1.8404,0.0079997949332834,-2.78,2.8717287,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.111673138344941
73,C1C(P(C2CCCCC2)=O)=NC(P=O)=CC=1,2,0.008,0.005,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-1.83395,0.0083919621839976,-2.78,2.0809023,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.098469961552837
74,C1C(P(C2C=C(C)C=C(C)C=2)=O)=NC(P(C2C=CC=CC=2)=O)=CC=1,25,159,6,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.4778,0.0050929681955911,-2.95,-1.517108,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.137112086337083
75,C1C(P(=O)(CC2C=C(O)C=CC=2)CC2C=CC=C(O)C=2)=NC(C(=O)N(CC)C2C=CC=CC=2)=CC=1,4,0.2,0.1,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.14745,0.0043691245579514,-3,2.0419748,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.110500320138044
76,C1C(P(=O)(C2C=C(C)C=C(C)C=2)C2C=C(C)C=C(C)C=2)=NC(C(=O)N(CC)C2C=CC=CC=2)=CC=1,2,4.2,1.8,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.34565,0.0017947009403544,-3.17,1.5077991,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.079514509792034
77,C1C(P(=O)(C2C=CC=CC=2)C2C=CC=CC=2)=NC(C(=O)N(CC)C2C=CC=CC=2)=CC=1,4,0.8,0.2,0,3,0,0,0.01,,Nitrobenzene,34.82,43.9,https://doi.org/10.1016/j.molliq.2020.115098,-2.35385,0.0011163245900955,-3.13,0.8158984,"A. Mitrofanov et al., Jour. Mol. Liq., 325 (1), 2021 [17]","A. Mitrofanov et al., [18]",-0.114010752691911