image imagewidth (px) 165 3.73k | smiles stringlengths 6 185 |
|---|---|
[C@H]1([C@@H]2[C@@H](C(C(=O)O2)O)O[C@H]1O)O | |
CN(C(=C(C#N)C#N)C#N)OC | |
N1NP2NNP1NN2 | |
CNC(=O)ON=C1[C@H](C2C[C@@H](C1C2)C#N)Cl | |
CCOP(N1CCOC1=O)OCC | |
C1[C@@H](O[C@@H](C1O)CO)N2C=C(C(=NC2=O)N)Br | |
[B][B]B(B([B])[B])C(=C(B([B])B([B])[B])C)C | |
C1C2CN3C(CN=N3)CN2N=N1 | |
C1(=S)S[Bi](S1)SC(=S)S[Bi]2SC(=S)S2 | |
P1P(PSP1S)S | |
C1CC(=[Hf](Cl)Cl)C1 | |
[PH2+](S)[S-] | |
CC1=C2C(=O)[C@@H](CC[C@@]2(CCC1=O)C)C(=C)C | |
C(NC1=NON=C1N)NC2=NON=C2N | |
C1(=NN=C([Se]1)[SeH])[SeH] | |
B(C#C)(C#C)N(C)C | |
C(#N)N=C([Se][K])[Se][K] | |
C[C@H]([C@@H](C=C)OO)C(=O)OC(C)C | |
N1=S(N=S(N=S1Cl)Cl)Cl | |
CS[C@H]1C(=O)N([C@]12CCCCC2=O)CC3=CC=CC=C3 | |
[H][C@@]([2H])(CCCC)[C@@]([H])([2H])CI | |
C[C@H]([C@H](C1=CC=CC=C1)O)N | |
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)O | |
CP(=S)(F)Cl | |
C1(=O)C(=O)N1Cl | |
C1CCC2(CC1)[C@H]3CC=CC[C@H]3C(=O)O2 | |
C[C@@H]1CCC[C@H](C1)C | |
B(NC)(NC)NC | |
CCOOP(=O)(OOCC)OCl | |
CC(C)(C)OC(=O)NC[C@H](CCCO)NC(=O)OC(C)(C)C | |
COC1OC(OO1)OC | |
B(C(C(F)(F)Br)(F)Br)(C(F)(F)F)C(F)(F)F | |
C=P(Cl)(Cl)Cl | |
C1[C@@H](S[C@@H](CC1N)C2=CC=CC=C2)C3=CC=CC=C3 | |
CCCC(S(=O)Cl)S(=O)Cl | |
CI(CN=O)S | |
C(=O)(O)[As]S(=O)(=O)O | |
C1CCC(CC1)([C@H](C2=CC=CC=C2)N)O | |
CC12CCC3C(C1CC[C@@H]2O)CCC4C3(C[C@](C4)(C#C)O)C | |
CC1=NSN=C1CC(=O)O | |
C[Si]1([Se][Si]([Se]1)(C)C)C | |
C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O | |
CCC[C@]1(C(=N[C@H]([C@H](O1)C2=CC=CC=C2)C)C)O | |
[B][B]B([B])I(B([B])[B])I | |
CN(C)C1=NN=CO1 | |
B(C1=CCCCC1)(O)O | |
CCC(N=C=O)(N=C=O)OC(CC)(N=C=O)N=C=O | |
C(=O)(N)NC(=O)N(Cl)Cl | |
CSN=C1SC2=C(S1)CCCC2 | |
C(#N)C(=NF)C(C#N)(F)F | |
C1=C2C(=CC(=C1Cl)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | |
CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O | |
C[C@@H]1CCO[C@@]2(O1)[C@@H]([C@@H](CC([C@H]2Br)(C)C)C)Br | |
C/C=C/[C@H]1SCC[S@@]1=O | |
C1=C(NC=N1)SCC(=O)N | |
CC(C)[C@H]1CC[C@@]2(C([C@H]1C=C2CO)CO)C | |
C1CC(=C[C@@H]1CC#N)OS(=O)(=O)C(F)(F)F | |
C(=O)(C(F)(F)F)OI(C(F)(F)F)OC(=O)C(F)(F)F | |
C1=CC=C(C=C1)N2[C@@H]3[C@H]2C4C5C3C45 | |
C1(=NSS(=C1Cl)Cl)Cl | |
C1=CN=NN=C1N2NN2 | |
C1(=NN=C(S1)I)F | |
C1=CP2N=CC1C=N2 | |
C1=C(C(=C(S1)S(=O)(=O)Cl)Br)Br | |
[B]=BB=S(#B)CC | |
C[C@@H]([C@H]1[C@@H]2[C@H]([C@H](C(=O)O1)O)OC(O2)(C)C)O | |
CC#CC=NC#CC | |
P12P3P1SP2S3 | |
C(C[Hg]OCl(=O)(=O)=O)OCl(=O)(=O)=O | |
CC[C@H]1C[C@H](C1(C)C)C(=O)C | |
C(P(=O)(CSC(=N)N)O)SC(=N)N | |
C[C@@H]1CCC[C@@H]1C | |
C(#N)C(C#N)C(C#N)C#N | |
CCOP(=O)([Te]CC)[Te]CC | |
CC(C)OP(=O)(C)C1=CC=NC=C1 | |
CP(C)(C)([Te]C)I | |
N1=P(N=P(N=P(N=P1(O)O)(O)O)(O)O)(O)O | |
C/C=C/CCOC1NC(=O)NC1OCC/C=C/C | |
[3H]CC([3H])(C)C(C)(C)NC(C)C | |
C1CS(=O)(=O)CC1NC(=S)NN | |
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)O | |
CC(C)N(C(C)C)P(=NC(C)(C)C)=NC(C)(C)C | |
C1CCN(CC1)C(=O)[C@]2([C@@H](CCN2)C#N)C3=CC=CC=C3 | |
CC[C@@]1(CC[C@@H]2C1(CC[C@H]3C2CC=C4C3CCCC4)C)O | |
[2H]C1=COC=COC=COC=COC(=COC=CO1)[2H] | |
C[C@@H]1[C@@]2([C@]1(C3=CC=CC4=C3C(=CC=C4)C2=C)C)C | |
B1(C(OB(C(O1)CC)CC)CC)CC | |
C[C@@H]1CC[C@@H](C1)C | |
C1=CNC(=O)NC(=C1)Cl | |
CCCCCCCCCCCCC[C@H]([C@H](C)NC(=O)C)OC(=O)C | |
CO/C=C(/C(OC)OC)\Br | |
CN(C)C=S(=O)(N)O | |
CC(=O)C=C1SC(=CC(=O)C)S1 | |
B(CC1(CC1)B(Cl)Cl)(Cl)Cl | |
C(CC(=O)N)[C@@H](C(=O)O)N | |
O1OP2OOP1O2 | |
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F | |
CCCCC(=O)P(=O)(N)SCC | |
[2H]C(=C1CCC(CC1)C)OS(=O)(=O)C | |
C/C(=N\NC(=S)N)/C1=NN=CC=C1 |
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