Unnamed: 0,FORMULATION,LCE,compounds,FORMULATION_CANONICAL_SMILES,FORMULATION_MOLECULAR_FORMULA,FORMULATION_IUPAC_NAME,FORMULATION_INCHI,FORMULATION_SELFIES 125,C1COC(=O)O132.56COC(=O)OC60.2[Li+].F[P-](F)(F)(F)(F)F7.24,0.777,3,O=C1OCCO132.56COC(=O)OC60.2F[P-](F)(F)(F)(F)F.[Li+]7.24,C3H4O332.56C3H6O360.2F6LiP7.24,"1,3-dioxolan-2-one32.56dimethyl carbonate60.2lithium;hexafluorophosphate7.24","InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H232.56InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H360.2InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+17.24",[O][=C][O][C][C][O][Ring1][Branch1]32.56[C][O][C][=Branch1][C][=O][O][C]60.2[F][P-1][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F].[Li+1]7.24 51,C1C(OC(=O)O1)F31.8CCOC(=O)OC50.35COC(=O)OC9.44B(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)8.32[Li+].F[P-](F)(F)(F)(F)F0.08,1.678,5,O=C1OCC(F)O131.8CCOC(=O)OC50.35COC(=O)OC9.44C[Si](C)OB(O[Si](C)(C)C)O[Si](C)(C)C8.32F[P-](F)(F)(F)(F)F.[Li+]0.08,C3H3FO331.8C4H8O350.35C3H6O39.44C8H24BO3Si38.32F6LiP0.08,"4-fluoro-1,3-dioxolan-2-one31.8ethyl methyl carbonate50.35dimethyl carbonate9.448.32lithium;hexafluorophosphate0.08","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H231.8InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H350.35InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H39.44InChI=1S/C8H24BO3Si3/c1-13(2)10-9(11-14(3,4)5)12-15(6,7)8/h1-8H38.32InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+10.08",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]31.8[C][C][O][C][=Branch1][C][=O][O][C]50.35[C][O][C][=Branch1][C][=O][O][C]9.44[C][Si][Branch1][C][C][O][B][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]8.32[F][P-1][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F].[Li+1]0.08 138,C1C(OC(=O)O1)F10.69C1COC(=O)O152.57O=C(OCC)OCC28.95[Li+].F[P-](F)(F)(F)(F)F7.79,1.108,4,O=C1OCC(F)O110.69O=C1OCCO152.57CCOC(=O)OCC28.95F[P-](F)(F)(F)(F)F.[Li+]7.79,C3H3FO310.69C3H4O352.57C5H10O328.95F6LiP7.79,"4-fluoro-1,3-dioxolan-2-one10.691,3-dioxolan-2-one52.57diethyl carbonate28.95lithium;hexafluorophosphate7.79","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H210.69InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H252.57InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H328.95InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+17.79",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]10.69[O][=C][O][C][C][O][Ring1][Branch1]52.57[C][C][O][C][=Branch1][C][=O][O][C][C]28.95[F][P-1][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F].[Li+1]7.79 19,C1C(OC(=O)O1)F14.43COC(=O)OCCF17.32C(C(F)(F)F)OC(C(F)F)(F)F54.77FS([N-]S(F)(=O)=O)(=O)=O.[Li+]13.48,2.222,4,O=C1OCC(F)O114.43COC(=O)OCCF17.32FC(F)C(F)(F)OCC(F)(F)F54.77O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]13.48,C3H3FO314.43C4H7FO317.32C4H3F7O54.77F2LiNO4S213.48,"4-fluoro-1,3-dioxolan-2-one14.432-fluoroethyl methyl carbonate17.321,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane54.77lithium;bis(fluorosulfonyl)azanide13.48","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H214.43InChI=1S/C4H7FO3/c1-7-4(6)8-3-2-5/h2-3H2,1H317.32InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H254.77InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+113.48",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]14.43[C][O][C][=Branch1][C][=O][O][C][C][F]17.32[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][C][C][Branch1][C][F][Branch1][C][F][F]54.77[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]13.48 104,C1C(OC(=O)O1)F69.56FS([N-]S(F)(=O)=O)(=O)=O.[Li+]30.44,1.633,2,O=C1OCC(F)O169.56O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]30.44,C3H3FO369.56F2LiNO4S230.44,"4-fluoro-1,3-dioxolan-2-one69.56lithium;bis(fluorosulfonyl)azanide30.44","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H269.56InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+130.44",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]69.56[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]30.44 12,C1C(OC(=O)O1)F10.6C1COC(=O)O152.17O=C(OCC)OCC28.72[Li+].F[P-](F)(F)(F)(F)F7.73[Rb+].[O-][N+]([O-])=O0.39O1CCOCCOCCOCCOCCOCC10.39,1.252,6,O=C1OCC(F)O110.6O=C1OCCO152.17CCOC(=O)OCC28.72F[P-](F)(F)(F)(F)F.[Li+]7.73O=[N+]([O-])[O-].[Rb+]0.39C1COCCOCCOCCOCCOCCO10.39,C3H3FO310.6C3H4O352.17C5H10O328.72F6LiP7.73NO3Rb0.39C12H24O60.39,"4-fluoro-1,3-dioxolan-2-one10.61,3-dioxolan-2-one52.17diethyl carbonate28.72lithium;hexafluorophosphate7.73rubidium(1+);nitrate0.391,4,7,10,13,16-hexaoxacyclooctadecane0.39","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H210.6InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H252.17InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H328.72InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+17.73InChI=1S/NO3.Rb/c2-1(3)4;/q-1;+10.39InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H20.39",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]10.6[O][=C][O][C][C][O][Ring1][Branch1]52.17[C][C][O][C][=Branch1][C][=O][O][C][C]28.72[F][P-1][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F].[Li+1]7.73[O][=N+1][Branch1][C][O-1][O-1].[Rb+1]0.39[C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][Ring2][Ring1][C]0.39 76,C1CCOC192.49FS([N-]S(F)(=O)=O)(=O)=O.[Li+]7.51,1.377,2,C1CCOC192.49O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]7.51,C4H8O92.49F2LiNO4S27.51,oxolane92.49lithium;bis(fluorosulfonyl)azanide7.51,"InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H292.49InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+17.51",[C][C][C][O][C][Ring1][Branch1]92.49[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]7.51 31,O=S1(=O)CCCC135.95C(C(F)(F)F)OC(C(F)F)(F)F50.38[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F13.26[Li+].[N+](=O)([O-])[O-]0.41,2.0,4,O=S1(=O)CCCC135.95FC(F)C(F)(F)OCC(F)(F)F50.38O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]13.26O=[N+]([O-])[O-].[Li+]0.41,C4H8O2S35.95C4H3F7O50.38C2F6LiNO4S213.26LiNO30.41,"thiolane 1,1-dioxide35.951,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane50.38lithium;bis(trifluoromethylsulfonyl)azanide13.26lithium;nitrate0.41","InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H235.95InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H250.38InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+113.26InChI=1S/Li.NO3/c;2-1(3)4/q+1;-10.41",[O][=S][=Branch1][C][=O][C][C][C][C][Ring1][=Branch1]35.95[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][C][C][Branch1][C][F][Branch1][C][F][F]50.38[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F].[Li+1]13.26[O][=N+1][Branch1][C][O-1][O-1].[Li+1]0.41 81,O=C(OCC)C10.46ClCCl64.0[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F25.54,1.456,3,CCOC(C)=O10.46ClCCl64.0O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]25.54,C4H8O210.46CH2Cl264.0C2F6LiNO4S225.54,ethyl acetate10.46dichloromethane64.0lithium;bis(trifluoromethylsulfonyl)azanide25.54,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H310.46InChI=1S/CH2Cl2/c2-1-3/h1H264.0InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+125.54",[C][C][O][C][Branch1][C][C][=O]10.46[Cl][C][Cl]64.0[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F].[Li+1]25.54 9,C1C(OC(=O)O1)F66.2FS([N-]S(F)(=O)=O)(=O)=O.[Li+]33.8,1.646,2,O=C1OCC(F)O166.2O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]33.8,C3H3FO366.2F2LiNO4S233.8,"4-fluoro-1,3-dioxolan-2-one66.2lithium;bis(fluorosulfonyl)azanide33.8","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H266.2InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+133.8",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]66.2[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]33.8 26,COC(=O)OC29.01C(C(F)(F)F)OCC(F)(F)F58.9FS([N-]S(F)(=O)=O)(=O)=O.[Li+]12.1,2.301,3,COC(=O)OC29.01FC(F)(F)COCC(F)(F)F58.9O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]12.1,C3H6O329.01C4H4F6O58.9F2LiNO4S212.1,"dimethyl carbonate29.011,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane58.9lithium;bis(fluorosulfonyl)azanide12.1","InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H329.01InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H258.9InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+112.1",[C][O][C][=Branch1][C][=O][O][C]29.01[F][C][Branch1][C][F][Branch1][C][F][C][O][C][C][Branch1][C][F][Branch1][C][F][F]58.9[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]12.1 96,C1C(OC(=O)O1)F77.41FS([N-]S(F)(=O)=O)(=O)=O.[Li+]22.59,1.587,2,O=C1OCC(F)O177.41O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]22.59,C3H3FO377.41F2LiNO4S222.59,"4-fluoro-1,3-dioxolan-2-one77.41lithium;bis(fluorosulfonyl)azanide22.59","InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H277.41InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+122.59",[O][=C][O][C][C][Branch1][C][F][O][Ring1][=Branch1]77.41[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]22.59 143,COCCOC73.12[Li+].[O-]P(=O)(F)F6.38[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F20.5,1.215,3,COCCOC73.12O=P([O-])(F)F.[Li+]6.38O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]20.5,C4H10O273.12F2LiO2P6.38C2F6LiNO4S220.5,"1,2-dimethoxyethane73.12lithium;difluorophosphinate6.38lithium;bis(trifluoromethylsulfonyl)azanide20.5","InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H373.12InChI=1S/F2HO2P.Li/c1-5(2,3)4;/h(H,3,4);/q;+1/p-16.38InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+120.5",[C][O][C][C][O][C]73.12[O][=P][Branch1][C][O-1][Branch1][C][F][F].[Li+1]6.38[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F].[Li+1]20.5 67,CC#N62.11C1=COC(=O)O15.59FS([N-]S(F)(=O)=O)(=O)=O.[Li+]32.3,1.854,3,CC#N62.11O=c1occo15.59O=S(=O)(F)[N-]S(=O)(=O)F.[Li+]32.3,C2H3N62.11C3H2O35.59F2LiNO4S232.3,"acetonitrile62.111,3-dioxol-2-one5.59lithium;bis(fluorosulfonyl)azanide32.3","InChI=1S/C2H3N/c1-2-3/h1H362.11InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H5.59InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+132.3",[C][C][#N]62.11[O][=C][O][C][=C][O][Ring1][Branch1]5.59[O][=S][=Branch1][C][=O][Branch1][C][F][N-1][S][=Branch1][C][=O][=Branch1][C][=O][F].[Li+1]32.3 134,C1COC(=O)O135.6COC(=O)OC56.59FC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F0.66[Li+].F[P-](F)(F)(F)(F)F7.15,1.046,4,O=C1OCCO135.6COC(=O)OC56.59FC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F0.66F[P-](F)(F)(F)(F)F.[Li+]7.15,C3H4O335.6C3H6O356.59C6H6BF9O30.66F6LiP7.15,"1,3-dioxolan-2-one35.6dimethyl carbonate56.59tris(2,2,2-trifluoroethyl) borate0.66lithium;hexafluorophosphate7.15","InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H235.6InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H356.59InChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H20.66InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+17.15",[O][=C][O][C][C][O][Ring1][Branch1]35.6[C][O][C][=Branch1][C][=O][O][C]56.59[F][C][Branch1][C][F][Branch1][C][F][C][O][B][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][O][C][C][Branch1][C][F][Branch1][C][F][F]0.66[F][P-1][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F].[Li+1]7.15