CompName
stringlengths 3
64
| SMILES
stringlengths 1
590
⌀ | Property
stringclasses 18
values | Value
float64 -268.93
426k
| unit
stringclasses 13
values | Source
stringclasses 1
value |
|---|---|---|---|---|---|
unknown | C1=CC(=O)C=CC1=O | Melting temperature | 116 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N.Cl | Melting temperature | 117 | [oC] | Wikipedia/Wikidata |
unknown | C1CN(NC1=O)C2=CC=CC=C2 | Melting temperature | 121 | [oC] | Wikipedia/Wikidata |
unknown | CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C | Melting temperature | 123 | [oC] | Wikipedia/Wikidata |
unknown | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O | Melting temperature | 125 | [oC] | Wikipedia/Wikidata |
unknown | CC1=NN(C(=O)C1)C2=CC=CC=C2 | Melting temperature | 127 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1CCN)O)O | Melting temperature | 128 | [oC] | Wikipedia/Wikidata |
unknown | F[Te](F)(F)F | Density | 4.22 | [g/cm3] | Wikipedia/Wikidata |
unknown | F[Te](F)(F)F | Melting temperature | 129.6 | [oC] | Wikipedia/Wikidata |
unknown | C(C(C(C(C(C(=O)O)O)O)O)O)O | Melting temperature | 131 | [oC] | Wikipedia/Wikidata |
unknown | C(C1C(C(C(C(O1)O)O)O)O)O | Density | 1.54 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(C1C(C(C(C(O1)O)O)O)O)O | Melting temperature | 132 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)(N)N | Melting temperature | 132.7 | [oC] | Wikipedia/Wikidata |
unknown | CC1(OOC(OO1)(C)C)C | Melting temperature | 134 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CC=C2CC(=O)O | Melting temperature | 135 | [oC] | Wikipedia/Wikidata |
unknown | C(C(=O)O)C(=O)O | Density | 1.6305 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(C(=O)O)C(=O)O | Melting temperature | 135.6 | [oC] | Wikipedia/Wikidata |
unknown | CNCC(C1=CC(=CC=C1)O)O | Melting temperature | 144 | [oC] | Wikipedia/Wikidata |
unknown | COC(=O)/C(=C/1\C(=O)C(=C(O1)O)C2=CC=CC=C2)/C3=CC=CC=C3 | Melting temperature | 148 | [oC] | Wikipedia/Wikidata |
unknown | CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] | Density | 1.079 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] | Melting temperature | 152.3 | [oC] | Wikipedia/Wikidata |
unknown | CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C | Melting temperature | 155 | [oC] | Wikipedia/Wikidata |
unknown | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC | Melting temperature | 156 | [oC] | Wikipedia/Wikidata |
unknown | CC1(C2CCC1(C(=O)C2=C(C(C(C(F)(F)F)(F)F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(C(C(F)(F)F)(F)F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(C(C(F)(F)F)(F)F)(F)F)O)C)C.[Eu] | Melting temperature | 157 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32 | Melting temperature | 158 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)C(=O)O[Hg]OC(=O)C2=CC=CC=C2 | Melting temperature | 165 | [oC] | Wikipedia/Wikidata |
unknown | CCOP(=S)(OCC)S.N | Density | 1.322 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCOP(=S)(OCC)S.N | Melting temperature | 165 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)[Ga](C2=CC=CC=C2)C3=CC=CC=C3 | Melting temperature | 166 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Au] | Melting temperature | 170 | [oC] | Wikipedia/Wikidata |
unknown | CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C | Melting temperature | 170 | [oC] | Wikipedia/Wikidata |
unknown | C1CC2=C3C1=CC=CC3=CC4=C2C=CC5=CC=CC=C54 | Melting temperature | 173 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C | Melting temperature | 174 | [oC] | Wikipedia/Wikidata |
unknown | CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C | Melting temperature | 174 | [oC] | Wikipedia/Wikidata |
unknown | CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 | Melting temperature | 176 | [oC] | Wikipedia/Wikidata |
unknown | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O | Melting temperature | 177 | [oC] | Wikipedia/Wikidata |
unknown | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 | Melting temperature | 180 | [oC] | Wikipedia/Wikidata |
unknown | OS(=O)(=O)[O-].[Na+] | Density | 2.472 | [g/cm3] | Wikipedia/Wikidata |
unknown | OS(=O)(=O)[O-].[Na+] | Melting temperature | 186 | [oC] | Wikipedia/Wikidata |
unknown | CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3CCC4 | Melting temperature | 189 | [oC] | Wikipedia/Wikidata |
unknown | C1=CN=C(C=N1)C(=O)N | Melting temperature | 190 | [oC] | Wikipedia/Wikidata |
unknown | C1=C(OC(=O)N1)C(C(=O)O)N | Melting temperature | 190 | [oC] | Wikipedia/Wikidata |
unknown | CC[Hg]Cl | Melting temperature | 192 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O | Melting temperature | 193 | [oC] | Wikipedia/Wikidata |
unknown | C[As](=O)(C)O | Melting temperature | 195 | [oC] | Wikipedia/Wikidata |
unknown | CC#N.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.F[Sb-](F)(F)(F)(F)F.[Au+] | Melting temperature | 198 | [oC] | Wikipedia/Wikidata |
unknown | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4 | Melting temperature | 198 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O | Melting temperature | 199.5 | [oC] | Wikipedia/Wikidata |
unknown | CC(=CCOC1C2=C3C(CC(OOC(N3C4=C2C=CC(=C4)OC)C=C(C)C)(C)C)N5C1(C(=O)N6CCCC6C5=O)O)C | Melting temperature | 203 | [oC] | Wikipedia/Wikidata |
unknown | CC1=CC2=CC3=CC=CC=C3C=C2C=C1 | Melting temperature | 205 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] | Melting temperature | 206 | [oC] | Wikipedia/Wikidata |
unknown | CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C | Melting temperature | 206 | [oC] | Wikipedia/Wikidata |
unknown | C1CO[Si-]23([N+]1(CCO2)CCO3)C4=CC=CC=C4 | Melting temperature | 211 | [oC] | Wikipedia/Wikidata |
unknown | CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C=C(C)C)C | Melting temperature | 211.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=C2C(=NC=N1)N=CN2 | Melting temperature | 214 | [oC] | Wikipedia/Wikidata |
unknown | CC1=NN(C)C(=C1CCOC2=C(C=CC(=C2F)F)C3=CC=C4C(=C3)C(=NN4C)CN(C)C)C | Melting temperature | 217 | [oC] | Wikipedia/Wikidata |
unknown | C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+] | Melting temperature | 218 | [oC] | Wikipedia/Wikidata |
unknown | CC12C3CCC(C1(C(=O)OC2=O)C)O3 | Melting temperature | 218 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)CCN.Cl | Melting temperature | 218.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C(=O)O)O)O | Melting temperature | 221 | [oC] | Wikipedia/Wikidata |
unknown | C1CC(NC1)C(=O)O | Melting temperature | 221 | [oC] | Wikipedia/Wikidata |
unknown | O=C1C2=C3C(C(C1=O)=O)=C(O)C4=C(OC(C)C4(C)C)C3=C(C)C=C2O | Melting temperature | 221 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC2=C(C=C1)C(=O)C(=C(C2=O)C3CCC(CC3)C4=CC=C(C=C4)Cl)O | Melting temperature | 222 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O | Melting temperature | 222 | [oC] | Wikipedia/Wikidata |
unknown | C(C1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O)O | Melting temperature | 225 | [oC] | Wikipedia/Wikidata |
unknown | C(CCC(=O)N)CC(=O)N | Melting temperature | 225.9 | [oC] | Wikipedia/Wikidata |
unknown | C(C(C(=O)O)N)O | Density | 1.537 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(C(C(=O)O)N)O | Melting temperature | 228 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C(=O)NS2(=O)=O | Melting temperature | 228.5 | [oC] | Wikipedia/Wikidata |
unknown | C(CS)C(C(=O)O)N | Melting temperature | 232 | [oC] | Wikipedia/Wikidata |
unknown | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | Density | 1.23 | [g/cm3] | Wikipedia/Wikidata |
unknown | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | Melting temperature | 234 | [oC] | Wikipedia/Wikidata |
unknown | CC(C(=O)O)NC(=O)CN | Melting temperature | 235 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O | Melting temperature | 238 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+] | Refractive index | 1.825 | [-] | Wikipedia/Wikidata |
unknown | Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+] | Density | 3.499 | [g/cm3] | Wikipedia/Wikidata |
unknown | Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+] | Melting temperature | 250 | [oC] | Wikipedia/Wikidata |
unknown | CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C.COS(=O)(=O)[O-] | Melting temperature | 253 | [oC] | Wikipedia/Wikidata |
unknown | CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O | Melting temperature | 254 | [oC] | Wikipedia/Wikidata |
unknown | [Li+].[N+](=O)([O-])[O-] | Melting temperature | 255 | [oC] | Wikipedia/Wikidata |
unknown | CC(C(C(=O)O)N)O | Melting temperature | 256 | [oC] | Wikipedia/Wikidata |
unknown | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3 | Melting temperature | 256 | [oC] | Wikipedia/Wikidata |
unknown | C1CCC(CC1)NS(=O)(=O)[O-].[Na+] | Melting temperature | 265 | [oC] | Wikipedia/Wikidata |
unknown | CN1C2=C(C(=O)N(C1=O)C)NC=N2 | Melting temperature | 268 | [oC] | Wikipedia/Wikidata |
unknown | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 | Melting temperature | 269 | [oC] | Wikipedia/Wikidata |
unknown | CC(=O)O[Pb]OC(=O)C | Melting temperature | 280 | [oC] | Wikipedia/Wikidata |
unknown | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O | Melting temperature | 282 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)CC(C(=O)O)N | Density | 1.29 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)CC(C(=O)O)N | Melting temperature | 283 | [oC] | Wikipedia/Wikidata |
unknown | C1=C(NC=N1)CC(C(=O)O)N | Melting temperature | 287 | [oC] | Wikipedia/Wikidata |
unknown | O=[Pb]=O | Melting temperature | 290 | [oC] | Wikipedia/Wikidata |
unknown | OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 | Melting temperature | 291 | [oC] | Wikipedia/Wikidata |
unknown | CC(C(=O)O)N | Melting temperature | 295 | [oC] | Wikipedia/Wikidata |
unknown | CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-] | Melting temperature | 295 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C2=CC=C(C=C12)S(O)(=O)=O)N=NC3=CC=C(C=C3)S([O-])(=O)=O)[O-].[Na+].[Na+] | Melting temperature | 300 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)[O-].[Na+] | Melting temperature | 300 | [oC] | Wikipedia/Wikidata |
unknown | CCC(C(=O)O)N | Melting temperature | 305 | [oC] | Wikipedia/Wikidata |
unknown | CC1=CC2=C(C(=O)C(C(C2=CO1)O)(C)O)CC3=C4C=C(OC=C4C(C(C3=O)(C)O)O)C | Melting temperature | 307.5 | [oC] | Wikipedia/Wikidata |
unknown | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+] | Melting temperature | 310 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)C(C(=O)O)N | Density | 1.23 | [g/cm3] | Wikipedia/Wikidata |