smiles stringlengths 3 78 | u0_atom float64 -2,191.74 -564.21 |
|---|---|
[H]C#CC([H])=C([H])C#C[H] | -1,155.35 |
[H]OC([H])([H])[C]([H])[N]OC([H])([H])C([H])([H])[H] | -1,498.91 |
[H]C(=C([H])C([H])([H])[H])C([H])([H])[H] | -1,160.57 |
[H]N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])N([H])C([H])([H])[H] | -1,926 |
[H]C([H])([H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] | -1,983.22 |
[H]N=C([H])N(C([H])([H])[H])C([H])([H])C([H])=C([H])[H] | -1,652.54 |
[H]C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])N([H])[H] | -1,781.3 |
[H]C#CC([H])(C#C[H])C([H])([H])N([H])[H] | -1,455.13 |
[H]C(=C([H])C([H])(N([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H] | -1,657.63 |
[H]C1C([H])=C([H])N(C=1[H])N([H])C([H])([H])[H] | -1,525.31 |
[H]N([H])C1([H])C([H])([H])C1([H])C([H])([H])[H] | -1,324.08 |
[H]C([H])=C1C([H])=C([H])OC1([H])C([H])([H])[H] | -1,587.54 |
[H]N([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H] | -1,446.98 |
[H]OC1(C([H])=C([H])OC1([H])[H])C([H])([H])[H] | -1,526.93 |
[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] | -1,305.32 |
[H]OC1SC([H])=C(C=1[H])C([H])([H])[H] | -1,269.84 |
[H]C#CC([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])[H] | -1,763.56 |
[H]C1=NOC([H])([H])C1(N([H])[H])C([H])([H])[H] | -1,446.43 |
[H]C([H])([H])C([H])([H])OC1(C([H])([H])[H])C([H])([H])C1([H])[H] | -1,840.7 |
[H]C1=NOC([H])(C([H])([H])[H])C([H])([H])C1([H])[H] | -1,571.34 |
[H]C1([H])C([H])([H])S(=O)(=O)C1([H])[H] | -1,123.86 |
[H]N(C([H])([H])[H])C([H])([H])S(=O)(=O)C([H])([H])[H] | -1,282.03 |
[H]C([H])([H])C1([H])C([H])(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] | -2,046.14 |
[H]C#CC([H])([H])OC([H])([H])C([H])([H])[H] | -1,385.93 |
[H]OC([H])([H])C(O[H])(C([H])=C([H])[H])C([H])([H])[H] | -1,652.69 |
[H]N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] | -1,768.35 |
[H]O[N][C]([H])C(=O)C([H])([H])C([H])([H])[H] | -1,381.73 |
[H]C(=C([H])C([H])(N([H])[H])C([H])([H])[H])C([H])([H])N([H])[H] | -1,791.17 |
[H]N(C([H])([H])C#N)C([H])([H])C([H])([H])C([H])([H])[H] | -1,665.73 |
[H]C#CC([H])([H])[C]([H])[N][N][C]([H])[H] | -1,340.23 |
[H]C1=NN=C([H])C([H])([H])OC1([H])[H] | -1,300.46 |
[H]C1=C([H])C([H])([H])C([H])([H])C([H])=C([H])C1([H])[H] | -1,546.91 |
[H]C1OC([H])(C([H])([H])[H])C([H])(C=1[H])C([H])([H])[H] | -1,724.9 |
[H]C(=C([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H] | -1,791.61 |
[H]N([H])C([H])([H])C1([H])C([H])([H])N([H])C1([H])[H] | -1,482.03 |
[H]C([H])=C([H])C([H])=C([H])C([H])([H])N([H])[H] | -1,484.52 |
[H]O[N][C]([H])N(C([H])([H])[H])C([H])([H])C([H])([H])[H] | -1,572.45 |
[H]C1OC([H])(C([H])([H])[H])C([H])(C=1[H])N([H])[H] | -1,597.15 |
[H]N(C(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] | -1,624.5 |
[H]C#CC([H])(C#CC([H])([H])[H])N([H])[H] | -1,462.48 |
[H]C1=NN([H])C(=O)C([H])([H])C1([H])[H] | -1,256.58 |
[H]OC1([H])C([H])([H])C2([H])C([H])([H])C1([H])C2([H])[H] | -1,713.9 |
[H]OC([H])([H])C([H])(C([H])=O)C([H])([H])[H] | -1,364.51 |
[H]N(C([H])([H])[H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H] | -1,706.56 |
[H]C([H])=C([H])OC([H])=C([H])C([H])=C([H])[H] | -1,564.26 |
[H]OC([H])([H])[C]([H])[N]N([H])C([H])([H])C([H])([H])[H] | -1,580.8 |
[H]C([H])=C1OC([H])([H])C2([H])N([H])C12[H] | -1,439.59 |
[H]C#CC([H])=O | -667.28 |
[H]C([H])=C([H])C1([H])N(C([H])([H])C([H])([H])[H])C1([H])[H] | -1,762.39 |
[H]C(=O)N1C([H])=C([H])C([H])=C1[H] | -1,478.95 |
[H]N1C([H])([H])C2([H])C(=O)C1([H])C2([H])[H] | -1,792.38 |
[H]C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C#N | -1,918.61 |
[H]OC([H])([H])C(=C([H])[H])C([H])([H])N([H])C([H])([H])[H] | -1,716.5 |
[H]OC([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])[H] | -1,504.27 |
[H][C](C([H])=C([H])[N]N([H])C([H])([H])[H])C([H])([H])[H] | -1,640.49 |
[H]N=C(N([H])OC([H])([H])[H])C([H])([H])C([H])([H])[H] | -1,569.66 |
[H]C1=NN2C([H])([H])C2([H])C1([H])C([H])([H])[H] | -1,515.17 |
[H]N1C(=O)OC([H])(C([H])([H])[H])C1([H])[H] | -1,440.03 |
[H]C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H] | -1,482.21 |
[H]OC([H])([H])C([H])([H])N([H])C([H])([H])C([H])=O | -1,786.91 |
[H]C([H])([H])C(=O)C([H])([H])[H] | -980.82 |
[H]C([H])([H])C1(N2C([H])([H])C2([H])[H])C([H])([H])C1([H])[H] | -1,755.67 |
[H]N([H])C([H])([H])C1(N([H])[H])C([H])([H])OC1([H])[H] | -1,584.42 |
[H]C([H])=C([H])OC(=C([H])[H])C([H])=C([H])[H] | -1,562.73 |
[HH].[HH] | -1,322.88 |
[H]C([H])=C([H])OC1([H])C([H])([H])OC1([H])[H] | -1,492.98 |
[H]OC1([H])C([H])=C([H])OC1([H])[H] | -1,227.18 |
[H]C(=O)C1([H])N([H])C1([H])[H] | -988.51 |
[H]C([H])([H])C1([H])C(=O)OC1([H])[H] | -1,246.47 |
[H]N([H])C([H])([H])C([H])([H])C1(OC1([H])[H])C([H])([H])[H] | -1,715.47 |
[H]C#CC(=O)C([H])=C([H])[H] | -1,123.24 |
[H]C#CC([H])([C]([H])[N]O[H])C([H])([H])[H] | -1,399.92 |
[H]OC([H])([H])C(C([H])=C([H])[H])(N([H])[H])C([H])([H])[H] | -1,722.86 |
[H]C1=NOC2([H])C1([H])C2([H])C([H])([H])[H] | -1,425.16 |
[H]C1=NOC([H])([H])C([H])(C([H])([H])[H])C1([H])[H] | -1,568.72 |
[H]N([H])C([H])([H])C([H])([H])OC([H])(C([H])([H])[H])C([H])([H])[H] | -1,858.92 |
[H]C(=O)C([H])([H])C#CC#N | -1,406.19 |
[H]C#CC([H])([H])N1C([H])([H])C1([H])C([H])([H])[H] | -1,515.35 |
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])OC([H])([H])C1([H])[H] | -1,860.65 |
[H]C1([H])N2C3([H])C([H])([H])C1([H])C([H])([H])C23[H] | -1,660.86 |
[H]C1([H])OC([H])([H])C2([H])OC1([H])C2([H])[H] | -1,505.37 |
[H]OC([H])([H])C1(O[H])C([H])([H])C([H])([H])C1([H])[H] | -1,650 |
[H]C([H])([H])C#CC([H])([H])[H] | -1,010.86 |
[H]C(=O)C1([H])C([H])=C([H])OC1([H])[H] | -1,387.84 |
[H]C1OC([H])([H])C(=NN([H])[H])C=1[H] | -1,433.32 |
[H]C(=O)C([H])([H])C([H])([H])C#N | -1,174.94 |
[H]C1=C([H])C([H])([H])C([H])([H])C([H])([H])OC1([H])[H] | -1,715.65 |
[H]C1([H])C([H])([H])C([H])([H])C([H])(C#N)C1([H])[H] | -1,675.41 |
[H][C](C#CC([H])([H])C([H])([H])[H])[N]N([H])[H] | -1,486.14 |
[H]C1=NOC([H])([H])C2([H])N([H])C12[H] | -1,288.68 |
[H]C([H])=C([H])OC([H])(C([H])([H])[H])C([H])([H])[H] | -1,551.53 |
[H][C]([N]OC([H])([H])C([H])=O)C([H])([H])[H] | -1,364.76 |
[H]OC1([H])C([H])([H])C([H])([H])C2([H])N([H])C12[H] | -1,935.54 |
[H]C1=NOC(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] | -1,578.82 |
[H]C([H])([H])OC([H])([H])C#CC([H])([H])C([H])([H])[H] | -1,685.32 |
[H]OC([H])([H])C(=C([H])C([H])=C([H])[H])C([H])([H])[H] | -1,710.94 |
[H]C([H])=C(C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])[H] | -1,912.62 |
[H]C([H])=C([H])C([H])(N([H])[H])C1([H])C([H])([H])C1([H])[H] | -1,772.45 |
[H]C1=C([H])N(C([H])=C1C([H])([H])[H])C([H])([H])[H] | -1,228.95 |
[H]O[N]C([H])=C(OC([H])([H])[H])[C]([H])[H] | -1,356.81 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.