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imagewidth (px) 75
793
| SMILES
stringlengths 19
556
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CCC(=O)O<sep> |
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OC(C)C<sep> |
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C=Cc1ccccc1<sep> |
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NS(C)(=O)=O<sep> |
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CCCCC<sep> |
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C(=O)N1CCOCC1<sep> |
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OC(F)(F)F<sep> |
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COC<sep> |
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NC1CCCCC1<sep> |
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C=O<sep> |
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C(=O)Nc1ccccc1<sep> |
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OCCCC<sep> |
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OCCC<sep> |
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CCC(C=O)=O<sep> |
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NC(=O)c1ccccc1<sep> |
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c1cnn(C)c1<sep> |
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C(=O)NCc1ccccc1<sep> |
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NC(C)C<sep> |
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c1ccc2c(c1)OCO2<sep> |
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CN1CCCC1<sep> |
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CC1CCCCC1<sep> |
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C#C<sep> |
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c1ccc(OC)nc1<sep> |
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CCN(C)C<sep> |
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CCCC(CC=O)=O<sep> |
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c1ccc(Br)cc1<sep> |
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Cc1ccncc1<sep> |
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OCCOC<sep> |
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C1CCOCC1<sep> |
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c1cn[nH]c1<sep> |
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Cn1ccnc1<sep> |
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c1ccc(C(=O)O)cc1<sep> |
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B(O)O<sep> |
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OCC(=O)O<sep> |
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C(=O)N1CCCCC1<sep> |
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CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F<sep> |
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O=CC(O)=O<sep> |
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Cc1ccc(F)cc1<sep> |
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OCCO<sep> |
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OCCN(C)C<sep> |
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c1ccc(C(F)(F)F)cc1<sep> |
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N(CC)CC<sep> |
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C(=O)NC1CCCCC1<sep> |
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c1nc2ccccc2s1<sep> |
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CC1CC1<sep> |
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CN(CC)CC<sep> |
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c1nc2ccccc2[nH]1<sep> |
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O=CCCC(O)=O<sep> |
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C(=O)NC(C)C<sep> |
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NCCO<sep> |
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C(=O)NCCO<sep> |
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c1ccc2c(c1)OCCO2<sep> |
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c1cc2ccccc2s1<sep> |
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CCCc1ccccc1<sep> |
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C(=O)N1CCCC1<sep> |
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CN1CCN(C)CC1<sep> |
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C(=O)NCC<sep> |
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OCCN1CCOCC1<sep> |
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c12ccccc1cccc2<sep> |
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CCN1CCOCC1<sep> |
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c1c[nH]c2ccccc12<sep> |
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c1cnc2ccccc2c1<sep> |
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OCCCN(C)C<sep> |
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Cc1cccnc1<sep> |
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C(=N)N<sep> |
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c1cc2ccccc2o1<sep> |
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Cc1ccc(OC)cc1<sep> |
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Cc1ccccn1<sep> |
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c1ccc(Cl)c(Cl)c1<sep> |
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C12=CCOC1=CC=CO2<sep> |
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c1ccc(N(C)C)cc1<sep> |
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[SH](=O)(=O)c1ccccc1<sep> |
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CNC(C)=O<sep> |
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NCCc1ccccc1<sep> |
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OCCN1CCCC1<sep> |
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CCOC<sep> |
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c1ccc(OC)c(OC)c1<sep> |
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c1ccc([N+](=O)[O-])cc1<sep> |
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C#Cc1ccccc1<sep> |
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C(=O)Nc1cccnc1<sep> |
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c1ncccc1<sep> |
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OCCN1CCCCC1<sep> |
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c1ccc(S(N)(=O)=O)cc1<sep> |
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CCN1CCCC1<sep> |
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c1cc[nH]n1<sep> |
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OCCCN1CCCCC1<sep> |
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C(=O)N(CC)CC<sep> |
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c1ccc(C(C)=O)cc1<sep> |
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c1nc2ccccc2o1<sep> |
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C(=O)N1CCN(C)CC1<sep> |
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Sc1ccccc1<sep> |
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NC1(C(O)=O)CC1<sep> |
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NS(N)(=O)=O<sep> |
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Cc1ccc(Cl)cc1<sep> |
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CCCN<sep> |
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c1ccc(OCC)cc1<sep> |
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C=C1SC(=S)NC1=O<sep> |
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c1ccc(F)cc1F<sep> |
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c1ccc(OC(F)(F)F)cc1<sep> |
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CCCCCCC<sep> |
Subsets and Splits