SMILES stringlengths 4 164 | Density float64 0.74 1.91 |
|---|---|
*/C(=C/CC*)C | 0.883357 |
*/C(=C\CC*)C(C)(C)C | 0.865139 |
*/C(C)=C(/*)C(C)C | 0.742359 |
*/C(Cl)=C(/*)c1ccccc1 | 1.076752 |
*/C=C(/*)C(C)(C)C | 0.776288 |
*/C=C(/*)c1ccc(-c2ccc(C#C)cc2)cc1 | 1.042091 |
*/C=C(/*)c1ccc(C#C)cc1 | 1.010292 |
*/C=C(/*)c1cccc(C#C)c1 | 1.01683 |
*/C=C/C(C(=O)OCc1ccc(Cl)cc1)C(*)C(=O)OCc1ccc(Cl)cc1 | 1.258572 |
*/C=C/C(C*)C(CC)C | 0.85054 |
*/C=C/C(C*)OC | 1.003982 |
*/C=C/C1CC(*)C2C(=O)N(CCCCC)C(=O)C12 | 1.050824 |
*/C=C/C1CC(*)C2C(=O)N(CCCCCC)C(=O)C12 | 1.035218 |
*/C=C/CC* | 0.883045 |
*/C=C/CCC* | 0.870773 |
*/C=C/CCCCCCCCCC* | 0.853346 |
*/C=C\* | 0.959011 |
*/C=C\CC* | 0.891055 |
*/C=C\CCC* | 0.876839 |
*/C=C\CCCC* | 0.868417 |
*/C=C\CCCCC* | 0.867589 |
*C#C/C(=C(*)\COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C | 1.251976 |
*C(*)C(=O)OC | 1.15076 |
*C(*)C(=O)OC(C)C | 1.034629 |
*C(*)C(=O)OCC | 1.092478 |
*C(*)C(=O)OCCC | 1.065853 |
*C(=CCC*)C(C)C | 0.849541 |
*C(=CCC*)CCC | 0.866169 |
*C(=CCC*)CCCCCCC | 0.8501 |
*C(=CCC*)c1ccccc1 | 1.017027 |
*C(=CCCC*)c1ccc(cc1)Cl | 1.123125 |
*C(=CCCC*)c1ccc(cc1)OC | 1.035052 |
*C(=CCCC*)c1ccccc1 | 1.00582 |
*C(=O)CCCCCCCCC(=O)N1CCN(*)CC1 | 1.06836 |
*C(=O)NC1CCC(CC2CCC(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CC2)CC1 | 1.133082 |
*C(=O)NCCNC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1 | 1.289378 |
*C(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Sc6ccc(Oc7ccc(Sc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)cc6)cc4)C5=O)cc3)c3ccccc3-c3ccccc32)cc1 | 1.211912 |
*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc2)cc1 | 1.230143 |
*C(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1 | 1.300382 |
*C(=O)Nc1cccc(/C=C/C(=O)/C=C/c2cccc(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)c2)c1 | 1.200829 |
*C(=O)Nc1cccc(C#Cc2cccc(N3C(=O)c4ccc(*)cc4C3=O)c2)c1 | 1.207197 |
*C(=O)Nc1cccc(NC(=O)/C=C/c2cccc(N3C(=O)c4ccc(*)cc4C3=O)c2)c1 | 1.251503 |
*C(=O)Nc1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)c1 | 1.288525 |
*C(=O)Nc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1 | 1.285201 |
*C(=O)OCCOC(=O)c1ccc(*)o1 | 1.294258 |
*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)c(C)c5)cc3C)C4=O)cc2)cc1 | 1.160979 |
*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1 | 1.20945 |
*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1 | 1.224361 |
*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)n3c-4nc4ccc(Oc5ccc6c(c5)nc5n6C(=O)c6ccc(*)cc6-5)cc43)cc2)cc1 | 1.233968 |
*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(C2CCC(N4C(=O)c5ccc(*)cc5C4=O)CC2)C3=O)cc1 | 1.262453 |
*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4C(F)(F)F)c(C(F)(F)F)c2)C3=O)cc1 | 1.33566 |
*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)Nc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1 | 1.306231 |
*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1 | 1.303485 |
*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1 | 1.29821 |
*C(=O)c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(Cc3cc(C(C)C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O | 1.001468 |
*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)c(C)c(N3C(=O)c4ccc(*)cc4C3=O)c(C)c1C)C2=O | 1.095689 |
*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)c3cccc4ccccc34)cc1C)C2=O | 1.05285 |
*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O | 1.094593 |
*C(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cc(Cc3cc(CC)c(N4C(=O)c5ccc(*)cc5C4=O)c(CC)c3)cc1CC)C2=O | 1.063183 |
*C(=O)c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(O)c(N4C(=O)c5ccc(*)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1O)C2=O | 1.33567 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O | 1.203392 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O | 1.145827 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(OC)c3)cc1OC)C2=O | 1.183024 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O | 1.240794 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O | 1.27826 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)cc1)C2=O | 1.280038 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O | 1.218703 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c4ccccc4-c4ccccc43)cc1)C2=O | 1.135743 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O | 1.153645 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O | 1.231157 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)c4ccc(*)cc4C3=O)c(C)c1)C2=O | 1.220748 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)c4ccc(*)cc4C3=O)nc1)C2=O | 1.281941 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(Cc4cc(C)c(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)c(C)c4)cc3C)cc1)C2=O | 1.149766 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cc4ccccc4cc3Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O | 1.249195 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O | 1.228224 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O | 1.236642 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O | 1.291071 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc4c(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cccc34)cc1)C2=O | 1.237242 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O | 1.26794 |
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)Cc1cc(N4C(=O)c5ccc(*)cc5C4=O)ccc1-3)C2=O | 1.231381 |
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)N(C)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)c1)C2=O | 1.248996 |
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)c1)C2=O | 1.276055 |
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(*)cc4C3=O)c1C)C2=O | 1.203975 |
*C(C(*)(F)F)(Cl)F | 1.892082 |
*C(C(*)(F)F)(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F | 1.779888 |
*C(C(*)(F)F)(OC(C(F)(F)F)(F)F)F | 1.710361 |
*C(C(*)(F)F)(OC(C(F)F)F)F | 1.696242 |
*C(C(*)(F)F)(OC(F)(F)F)F | 1.816452 |
*C(C(*)(F)F)(OC(F)(F)F)OC(F)(F)F | 1.687186 |
*C(C(*)(F)F)(c1c(c(c(c(c1F)F)F)F)F)F | 1.609094 |
*C(C(*)(F)F)(c1ccccc1)F | 1.277454 |
*C(C(*)(F)F)OC(F)(F)F | 1.726336 |
*C(C(*)(c1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H])([2H])[2H] | 1.071664 |
*C(C(*)F)(OC(F)(F)F)F | 1.750236 |
*C(C(*)O)C | 1.029485 |
*C(C(*)OC(C)(C)C)C | 0.874168 |
*C(C(*)OC(C)C)C | 0.882336 |
*C(C(*)OC)C | 0.947493 |
*C(C(*)OCC(C)C)C | 0.88966 |
*C(C(*)OCC)C | 0.920916 |
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