| Unnamed: 0,FORMULATION,Specific Capacity,FORMULATION_CANONICAL_SMILES,FORMULATION_MOLECULAR_FORMULA,FORMULATION_IUPAC_NAME,FORMULATION_INCHI,FORMULATION_SELFIES |
| 76,<formulation_start>C1COCO1<sep>56.0<sep>CN(C)CCN(C)C<sep>38.0<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,0.0,<formulation_start><smiles>C1COCO1<sep>56.0<sep><smiles>CN(C)CCN(C)C<sep>38.0<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C3H6O2<sep>56.0<sep><formula>C6H16N2<sep>38.0<sep><formula>C2F6LiNO4S2<sep>4.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>1,3-dioxolane<sep>56.0<sep><iupac>N,N,N',N'-tetramethylethane-1,2-diamine<sep>38.0<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>4.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>56.0<sep><inchi>InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3<sep>38.0<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>4.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>56.0<sep><selfies>[C][N][Branch1][C][C][C][C][N][Branch1][C][C][C]<sep>38.0<sep><selfies>[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]<sep>4.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 33,<formulation_start>COCCC#N<sep>56.0<sep>C(C#N)I<sep>42.0<sep>C(COCCOCCC#N)C#N<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,98.0,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>N#CCI<sep>42.0<sep><smiles>N#CCCOCCOCCC#N<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C2H2IN<sep>42.0<sep><formula>C8H12N2O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>2-iodoacetonitrile<sep>42.0<sep><iupac>3-[2-(2-cyanoethoxy)ethoxy]propanenitrile<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C2H2IN/c3-1-2-4/h1H2<sep>42.0<sep><inchi>InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[N][#C][C][I]<sep>42.0<sep><selfies>[N][#C][C][C][O][C][C][O][C][C][C][#N]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 61,<formulation_start>COCCC#N<sep>56.0<sep>COS(=O)OC<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,15.4926,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>COS(=O)OC<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C2H6O3S<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>dimethyl sulfite<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][O][S][=Branch1][C][=O][O][C]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 74,<formulation_start>C1COCO1<sep>56.0<sep>CC1=CCOC1=O<sep>38.0<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,93.0,<formulation_start><smiles>C1COCO1<sep>56.0<sep><smiles>CC1=CCOC1=O<sep>38.0<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C3H6O2<sep>56.0<sep><formula>C5H6O2<sep>38.0<sep><formula>C2F6LiNO4S2<sep>4.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>1,3-dioxolane<sep>56.0<sep><iupac>4-methyl-2H-furan-5-one<sep>38.0<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>4.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>56.0<sep><inchi>InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3<sep>38.0<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>4.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>56.0<sep><selfies>[C][C][=C][C][O][C][Ring1][Branch1][=O]<sep>38.0<sep><selfies>[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]<sep>4.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 102,<formulation_start>C1COCO1<sep>63.61<sep>COCCOCCOCCOCCOC<sep>16.1<sep>C1COCOC1<sep>10.4<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.44<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>3.55<sep>[Li+].[N+](=O)([O-])[O-]<sep>1.9<formulation_end>,80.0,<formulation_start><smiles>C1COCO1<sep>63.61<sep><smiles>COCCOCCOCCOCCOC<sep>16.1<sep><smiles>C1COCOC1<sep>10.4<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.44<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>3.55<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>1.9<formulation_end>,<formulation_start><formula>C3H6O2<sep>63.61<sep><formula>C10H22O5<sep>16.1<sep><formula>C4H8O2<sep>10.4<sep><formula>C2F6LiNO4S2<sep>4.44<sep><formula>C4BLiO8<sep>3.55<sep><formula>LiNO3<sep>1.9<formulation_end>,"<formulation_start><iupac>1,3-dioxolane<sep>63.61<sep><iupac>1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane<sep>16.1<sep><iupac>1,3-dioxane<sep>10.4<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>4.44<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>3.55<sep><iupac>lithium;nitrate<sep>1.9<formulation_end>","<formulation_start><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>63.61<sep><inchi>InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3<sep>16.1<sep><inchi>InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2<sep>10.4<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>4.44<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>3.55<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>1.9<formulation_end>",<formulation_start><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>63.61<sep><selfies>[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]<sep>16.1<sep><selfies>[C][C][O][C][O][C][Ring1][=Branch1]<sep>10.4<sep><selfies>[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]<sep>4.44<sep><selfies>[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]<sep>3.55<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>1.9<formulation_end> |
| 22,<formulation_start>COCCC#N<sep>56.0<sep>Cc1ccccc1<sep>42.0<sep>O1CCOC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,78.8351,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>Cc1ccccc1<sep>42.0<sep><smiles>C1COCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C7H8<sep>42.0<sep><formula>C3H6O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>toluene<sep>42.0<sep><iupac>1,3-dioxolane<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3<sep>42.0<sep><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][=C][C][=C][C][=C][Ring1][=Branch1]<sep>42.0<sep><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 59,<formulation_start>COCCC#N<sep>56.0<sep>CCN(CC)C(=O)N(CC)CC<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,24.8382,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CCN(CC)C(=O)N(CC)CC<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C9H20N2O<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>1,1,3,3-tetraethylurea<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 51,<formulation_start>COCCC#N<sep>56.0<sep>CC(C)O[V](=O)(OC(C)C)OC(C)C<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,0.0,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CC(C)O[V](=O)(OC(C)C)OC(C)C<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C9H21O4V<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>oxovanadium;propan-2-ol<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+3<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][Branch1][C][C][O][V][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 60,<formulation_start>COCCC#N<sep>56.0<sep>CC1=CCOC1=O<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,94.4838,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CC1=CCOC1=O<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C5H6O2<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>4-methyl-2H-furan-5-one<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][=C][C][O][C][Ring1][Branch1][=O]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 95,<formulation_start>CN1CCN(C)C1=O<sep>21.21<sep>C1COCO1<sep>70.48<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>3.671<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>2.93<sep>[Li+].[N+](=O)([O-])[O-]<sep>1.709<formulation_end>,76.0,<formulation_start><smiles>CN1CCN(C)C1=O<sep>21.21<sep><smiles>C1COCO1<sep>70.48<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>3.671<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>2.93<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>1.709<formulation_end>,<formulation_start><formula>C5H10N2O<sep>21.21<sep><formula>C3H6O2<sep>70.48<sep><formula>C2F6LiNO4S2<sep>3.671<sep><formula>C4BLiO8<sep>2.93<sep><formula>LiNO3<sep>1.709<formulation_end>,"<formulation_start><iupac>1,3-dimethylimidazolidin-2-one<sep>21.21<sep><iupac>1,3-dioxolane<sep>70.48<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>3.671<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>2.93<sep><iupac>lithium;nitrate<sep>1.709<formulation_end>","<formulation_start><inchi>InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3<sep>21.21<sep><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>70.48<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>3.671<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>2.93<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>1.709<formulation_end>",<formulation_start><selfies>[C][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O]<sep>21.21<sep><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>70.48<sep><selfies>[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]<sep>3.671<sep><selfies>[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]<sep>2.93<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>1.709<formulation_end> |
| 13,<formulation_start>COCCC#N<sep>47.0<sep>COCCOC<sep>41.0<sep>C1=CC=NC=C1<sep>10.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,112.67083,<formulation_start><smiles>COCCC#N<sep>47.0<sep><smiles>COCCOC<sep>41.0<sep><smiles>c1ccncc1<sep>10.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>47.0<sep><formula>C4H10O2<sep>41.0<sep><formula>C5H5N<sep>10.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>47.0<sep><iupac>1,2-dimethoxyethane<sep>41.0<sep><iupac>pyridine<sep>10.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>47.0<sep><inchi>InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3<sep>41.0<sep><inchi>InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H<sep>10.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>47.0<sep><selfies>[C][O][C][C][O][C]<sep>41.0<sep><selfies>[C][=C][C][=N][C][=C][Ring1][=Branch1]<sep>10.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 10,<formulation_start>COCCC#N<sep>56.0<sep>COCCOC<sep>42.0<sep>C1COC(=O)O1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,149.13,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>COCCOC<sep>42.0<sep><smiles>O=C1OCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C4H10O2<sep>42.0<sep><formula>C3H4O3<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>1,2-dimethoxyethane<sep>42.0<sep><iupac>1,3-dioxolan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3<sep>42.0<sep><inchi>InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][O][C][C][O][C]<sep>42.0<sep><selfies>[O][=C][O][C][C][O][Ring1][Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end> |
| 89,<formulation_start>C1COCO1<sep>64.95<sep>COCCOCCOCCOCCOC<sep>12.81<sep>FC(F)C(F)(F)COC(F)(F)C(F)F<sep>11.45<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.85<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>3.88<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.06<formulation_end>,83.0,<formulation_start><smiles>C1COCO1<sep>64.95<sep><smiles>COCCOCCOCCOCCOC<sep>12.81<sep><smiles>FC(F)C(F)(F)COC(F)(F)C(F)F<sep>11.45<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.85<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>3.88<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.06<formulation_end>,<formulation_start><formula>C3H6O2<sep>64.95<sep><formula>C10H22O5<sep>12.81<sep><formula>C5H4F8O<sep>11.45<sep><formula>C2F6LiNO4S2<sep>4.85<sep><formula>C4BLiO8<sep>3.88<sep><formula>LiNO3<sep>2.06<formulation_end>,"<formulation_start><iupac>1,3-dioxolane<sep>64.95<sep><iupac>1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane<sep>12.81<sep><iupac>1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane<sep>11.45<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>4.85<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>3.88<sep><iupac>lithium;nitrate<sep>2.06<formulation_end>","<formulation_start><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>64.95<sep><inchi>InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3<sep>12.81<sep><inchi>InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2<sep>11.45<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>4.85<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>3.88<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.06<formulation_end>",<formulation_start><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>64.95<sep><selfies>[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]<sep>12.81<sep><selfies>[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]<sep>11.45<sep><selfies>[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]<sep>4.85<sep><selfies>[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]<sep>3.88<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.06<formulation_end> |
| 106,<formulation_start>COCCOCCOCCOCCOC<sep>21.09<sep>C1COCO1<sep>67.38<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.87<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>3.92<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.74<formulation_end>,89.0,<formulation_start><smiles>COCCOCCOCCOCCOC<sep>21.09<sep><smiles>C1COCO1<sep>67.38<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.87<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>3.92<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.74<formulation_end>,<formulation_start><formula>C10H22O5<sep>21.09<sep><formula>C3H6O2<sep>67.38<sep><formula>C2F6LiNO4S2<sep>4.87<sep><formula>C4BLiO8<sep>3.92<sep><formula>LiNO3<sep>2.74<formulation_end>,"<formulation_start><iupac>1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane<sep>21.09<sep><iupac>1,3-dioxolane<sep>67.38<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>4.87<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>3.92<sep><iupac>lithium;nitrate<sep>2.74<formulation_end>","<formulation_start><inchi>InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3<sep>21.09<sep><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>67.38<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>4.87<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>3.92<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.74<formulation_end>",<formulation_start><selfies>[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]<sep>21.09<sep><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>67.38<sep><selfies>[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]<sep>4.87<sep><selfies>[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]<sep>3.92<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.74<formulation_end> |
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