Datasets:
yzimmermann
/
tokenized-ZINC-1B

Dataset card Data Studio Files Community
1
smiles
stringlengths
8
260
input_ids
sequencelengths
31
204
token_type_ids
sequencelengths
31
204
attention_mask
sequencelengths
31
204
C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)C)O)O
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Cc1cc(ccc1N[C@@H]2[C@@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O)N(=O)=O
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Cc1cc(ccc1N[C@H]2[C@@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O)N(=O)=O
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Cc1cc(ccc1N[C@@H]2[C@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O)N(=O)=O
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Cc1cc(ccc1N[C@H]2[C@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O)N(=O)=O
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Cc1ccc(c(c1)N(=O)=O)N[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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Cc1ccc(c(c1)N(=O)=O)N[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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Cc1ccc(c(c1)N(=O)=O)N[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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c1ccc(c(c1)N(=O)=O)S[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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c1ccc(c(c1)N(=O)=O)S[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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c1nc(c(n1[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)Br)N(=O)=O
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c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)Br)N(=O)=O
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C[C@H]([C@](C(C)C)(C(=O)OCC1C=CN2(=O)[C@@H]1[C@@H](CC2)O)O)O
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C[C@H]([C@@](C(C)C)(C(=O)OCC1C=CN2(=O)[C@@H]1[C@@H](CC2)O)O)O
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C[C@@H]([C@](C(C)C)(C(=O)OCC1C=CN2(=O)[C@@H]1[C@@H](CC2)O)O)O
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C[C@@H]([C@@](C(C)C)(C(=O)OCC1C=CN2(=O)[C@@H]1[C@@H](CC2)O)O)O
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CC(=O)OC([C@@]1(C=C[C@@H](O1)N(=O)=O)OC(=O)C)OC(=O)C
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CC(=O)OC([C@@]1(C=C[C@H](O1)N(=O)=O)OC(=O)C)OC(=O)C
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CC(=O)OC([C@]1(C=C[C@@H](O1)N(=O)=O)OC(=O)C)OC(=O)C
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CC(=O)OC([C@]1(C=C[C@H](O1)N(=O)=O)OC(=O)C)OC(=O)C
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C[C@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)C)O)O
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C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)C)O)O
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C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)C)O)O
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C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)C)O)O
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CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+]12CCN(CC1)CC2
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c1cc(ccc1N(=O)=O)S[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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c1cc(ccc1N(=O)=O)S[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
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c1nc(c(c(n1)NNc2c(c(ncn2)N)N(=O)=O)N(=O)=O)N
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Cc1cc(ccc1N[C@H]2[C@@H]([C@H]([C@H](O2)[C@H](CO)O)O)O)N(=O)=O
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Cc1cc(ccc1N[C@@H]2[C@@H]([C@H]([C@H](O2)[C@H](CO)O)O)O)N(=O)=O
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c1cc(ccc1NC(=O)C(=O)Nn2c(nnc2N)N)N(=O)=O
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CNC(=O)CNC(=O)c1ccc(c(c1)N(=O)=O)N2CCOCC2
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CNC(=O)C[NH+]1CCC(CC1)NC(=O)Cn2cc(cn2)N(=O)=O
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c1ccc(cc1)n2c(=O)c(c(cn2)N(=O)=O)NNC(=S)N[NH3+]
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CNC(=O)NC(=O)C[NH+]1CCN(CC1)c2ccc(nc2)N(=O)=O
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CN(CC(=O)NC1CC1)C(=O)Cn2cc(ccc2=O)N(=O)=O
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c1c(cn(c(=O)c1C(=O)N)CCN2C(=O)CCC2=O)N(=O)=O
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c1cn(c(=O)c2c1nc3ccn(c(=O)c3c2)c4[nH]ncn4)CCO
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C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1cc(=O)[nH]c(=O)[nH]1
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c1cc(c(cc1NC(=O)Cn2ccc(=O)[nH]c2=O)N(=O)=O)[O-]
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C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)c1cc(=O)[nH]c(=O)[nH]1
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CC(C)(C)OC(=O)N[C@@H](CC[C@@H](N/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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CC(C)(C)OC(=O)N[C@@H](CC[C@@H](N/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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CC(C)(C)OC(=O)N[C@H](CC[C@@H](N/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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CC(C)(C)OC(=O)N[C@H](CC[C@@H](N/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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c1cc(c(cc1NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCO)N(=O)=O)N
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c1cc(c(cc1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCO)N(=O)=O)N
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CC(=O)N[C@@H](CSC(=O)C(C)(C)CCN(=O)=O)C(=O)N
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c1nc(nn1Cn2c(nc(n2)N(=O)=O)Br)N(=O)=O
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c1c(cc(cc1N[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N(=O)=O)C(=O)[O-]
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c1ccc(cc1)C[NH2+][C@@H](C[C@@H](CN/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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c1ccc(cc1)C[NH2+][C@@H](C[C@@H](CN/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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c1ccc(cc1)C[NH2+][C@@H](C[C@H](CN/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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c1ccc(cc1)C[NH2+][C@@H](C[C@H](CN/C(=[NH2+])/N)N(=O)=O)C(=O)[O-]
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Cc1ccc(c(c1)N(=O)=O)NC(=O)C(=O)[C@@H]2C(=O)NC(=S)N2
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Cc1ccc(c(c1)N(=O)=O)NC(=O)C(=O)[C@H]2C(=O)NC(=S)N2
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c1c(cc(c2c1n(=O)n(n2)c3c(non3)N)N(=O)=O)N(=O)=O
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c1cc(c(cc1N(=O)=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3NC2=O)[O-]
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c1cc(c(cc1N(=O)=O)N2[C@H]3CS(=O)(=O)C[C@@H]3NC2=O)[O-]
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c1cc(c(cc1N(=O)=O)N2[C@@H]3CS(=O)(=O)C[C@H]3NC2=O)[O-]
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C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N@+]2([C@H]1[C@H](CC2)O)C)O)O
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CNC(=O)C(=O)[N-]S(=O)(=O)c1ccc(c(c1)N(=O)=O)Cl
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c1cc(ccc1N(=O)=O)S(=O)(=O)N(CC(=O)[O-])N(=O)=O
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Cn1c(c(c(=O)n(c1=O)C)C=NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)[O-])[O-]
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Cn1c(c(c(=O)n(c1=O)C)C=NCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)[O-])[O-]
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Cn1c(c(c(=O)n(c1=O)C)[C@@H]2c3ccc(c(c3Oc4c2c(=O)n(c(=O)n4C)C)O)O)[O-]
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Cn1c(c(c(=O)n(c1=O)C)[C@H]2c3ccc(c(c3Oc4c2c(=O)n(c(=O)n4C)C)O)O)[O-]
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c1cc(c2c(c1NCC[NH2+]CCO)C(=O)c3c(ccc(c3C2=O)[O-])[O-])NCC[NH2+]CCO
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c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])O)O
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CCCCCCn1c(c(c(=O)[nH]c1=O)CN=Nc2nc3c(n2C)c(=O)n(c(=O)n3C)C)[O-]
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CNS(=O)(=O)c1cn(cc1S(=O)(=O)NC)CC(=O)NCc2ccc(cc2)N(C)C
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