SELFIES

[=N][Branch1_3][Branch1_2][O][=N][Branch1_1][=N][O][Branch2_3][=N][N][N][C][Branch2_3][Branch2_3][=N][O][Branch1_2]

[=N][Branch1_3][N][Branch1_1][#C][=N][Branch1_1][Branch1_3][N][N][Branch1_3][Branch2_2][=N][Branch2_3][N][Branch2_2][Branch1_1][Branch1_3][Branch1_3][Branch2_1]

[Branch1_2][Branch1_1][=O][Branch2_1][C][O][=N][Branch1_3][Ring1][Branch1_1][Branch2_2][#N][N][N][O][=N][O][=N]

y value

−4.0

−4.0

−4.0

logP of ${\tilde{x}}_{hot}$

−2.41

−2.91

−3.28

SMILES

NC(C#CN(N))ON

NC(OOC(O))=NNNN

NN(OOON)NN(N)

SELFIES

[=N][C][Branch1_2][Branch2_3][C][#C][Branch2_2][Branch2_3][#N][Branch1_3][O][Branch1_1][=N][Branch2_1][=O][Branch2_2][Branch1_3][=N][Branch1_2][Branch2_3]

[N][C][Branch1_1][Branch2_1][O][O][=C][Branch2_2][Branch2_1][#C][O][#N][Branch1_2][=N][N][N][Branch1_2]

[#N][Ring1][Branch1_2][N][Branch1_1][Branch2_1][O][=O][Ring2][Branch1_1][Branch2_2][=O][N][N][N][Branch1_2][Branch2_1][Branch2_2][N][Branch2_1]

y value

−5.0

−5.0

−5.0

logP of ${\tilde{x}}_{hot}$

−2.60

−2.80

−3.08

SMILES

NOON(CN(N))C(O)

NON(NON(N))

N(N(N)NN(N))

SELFIES

[Branch2_3][Branch2_2][#N][O][O][Branch1_1][Branch1_1][N][Branch1_2][Branch1_2][=C][N][Branch1_1][Ring2][N][=C][Branch1_3][Branch2_3][O]

[=N][Ring2][Branch1_2][=N][O][Branch2_3][Branch1_1][N][Branch2_3][N][=O][Branch2_3][#N][O][Branch2_2][=N][Branch2_1][Branch2_3][Ring2][=N][Branch1_1]

[Ring2][#N][Ring2][Branch2_3][Branch1_1][Branch1_1][=C][#N][Ring1][#N][Branch1_3][=O][#N][=N][N][Branch2_3][=N][Branch1_2][=N]