text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CNC(c1ccc(C)o1)C1CCCC1C | unichem_smiles | 17 |
Cc1nn(C(C)C)cc1CN1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 | unichem_smiles | 39 |
Br.CCCCNC(=N)Nc1ccccc1 | unichem_smiles | 14 |
C=CCCC(=C)C(=O)Oc1ccccc1 | unichem_smiles | 18 |
NCc1c(-c2ccc(C3CCCCC3)cc2)nc2ncccn12 | unichem_smiles | 24 |
Cc1ccc(N=C2NC(=[NH2+])NC3(N2)C(O)=Nc2ccccc23)c(C)c1 | unichem_smiles | 39 |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC | unichem_smiles | 77 |
CC(CN)CNC(=O)c1ccc(N2CCCC2=O)cc1.Cl | unichem_smiles | 25 |
CC(N)COc1c(-c2ccoc2)ccc(CSc2ccccc2)c1C(=O)O | unichem_smiles | 32 |
N[C@H]([C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O)ccc2O1)C(F)(F)F | unichem_smiles | 54 |
CCCN1CCc2c(c3cc(OC)c(CO)cc3c3c(C)c(CO)c(OC)cc23)C1 | unichem_smiles | 39 |
NS(=O)(=O)c1ccc2c(c1)N(CCCF)CCC2 | unichem_smiles | 24 |
Cc1ccc(Oc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2Cl)c(C)c1 | unichem_smiles | 34 |
C[C@H](C(O)=NC[C@@]1(O)CCCC(C)(C)C1)C1CCOCC1 | unichem_smiles | 34 |
CCc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)o1 | unichem_smiles | 32 |
CN(CC(O)=Nc1cc(F)cc(F)c1)C(=O)c1cn(-c2ccc(F)cc2)nn1 | unichem_smiles | 40 |
C=CCCC[C]([Si](C)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1.[Cu] | unichem_smiles | 41 |
CCCCCCCCCCCCCCCC(CC#N)COCCCCCCCCCCCCCCCCCOCCCO | unichem_smiles | 17 |
Cn1c(SCC(O)=NC(=N)O)nnc1-c1ccc(F)cc1 | unichem_smiles | 29 |
CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)n(CC(F)(F)F)c3cc(C(F)(F)F)ccc32)ccc1OC | unichem_smiles | 54 |
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(OCCCCC)cc2)c(C)c1 | unichem_smiles | 54 |
CN(c1ccccc1)C1CCN(C(=O)c2ccc(N)cc2)CC1 | unichem_smiles | 29 |
CSC(=NC#N)Nc1cc(S(=O)(=O)O)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C | unichem_smiles | 52 |
O=C(C=CSc1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 | unichem_smiles | 32 |
CCC(OC)c1noc(CCCCO)n1 | unichem_smiles | 14 |
C=NCCC1(C)OC(C)(n2c(C)c(C)c(N)cc2=O)C(O)C1O | unichem_smiles | 38 |
O=C(CCC(=O)OC1CC1)OC1CC1 | unichem_smiles | 18 |
Cn1cc(S(=O)(=O)N2CCC(O)(c3ccccc3)C3CCCCC32)c(C(F)(F)F)n1 | unichem_smiles | 43 |
Cc1ccc(/C=C/C(O)=Nc2ccccc2S[C@H](C)CC#N)s1 | unichem_smiles | 33 |
COc1ccc(C(Cc2ccc(-c3cccc(OC)c3)cc2)c2csc(=N)[nH]2)cc1 | unichem_smiles | 39 |
Cc1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 | unichem_smiles | 29 |
CC(C)CN=C(O)c1cccc(CN2CCN(C)C(=O)C2(C)C)c1 | unichem_smiles | 35 |
N#Cc1ccccc1C(O)=NCc1ccc(CN)cc1 | unichem_smiles | 21 |
CCCCCCCCCC(=O)Oc1ccc(C2C=CC(C(=O)O)(c3ccccc3C(=O)O[C@H](C)CCC(C)C)C=C2)cc1 | unichem_smiles | 56 |
O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1ccccn1 | unichem_smiles | 31 |
O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)CC1(O)c1cccc([N+](=O)[O-])c1 | unichem_smiles | 51 |
CCC1CCC(CCC(=O)C(C)C)CC1 | unichem_smiles | 17 |
COc1ccc(N=C(O)c2ccc(C)cc2C)cc1O | unichem_smiles | 24 |
O=C(O)c1c(Cl)nn(C(F)F)c1F | unichem_smiles | 23 |
O=C1CC(=Nc2ccccc2)CO1 | unichem_smiles | 16 |
CCN(Cc1cccc(N=C(O)Cn2cccc(C)c2=O)c1)C(=O)C(F)(F)F | unichem_smiles | 41 |
Cc1cccc(O[C@@H]2C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1F | unichem_smiles | 48 |
COc1ccccc1NCC(O)=NCC(C)O | unichem_smiles | 17 |
CC1CC(Nc2ncc(OCc3ccccc3)cn2)=C(NN)CN1C(=O)c1cccc(C(F)(F)F)c1F | unichem_smiles | 46 |
O=S(=O)(Cc1c(F)cccc1Cl)c1nc2cc(Cl)ccc2s1 | unichem_smiles | 30 |
C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 | unichem_smiles | 42 |
CC/C(=N/c1ccccc1)c1ccccc1 | unichem_smiles | 18 |
Cc1ccc(N=C(O)C2CCN(Cn3ccc(C)c(C#N)c3=O)CC2)nc1 | unichem_smiles | 39 |
CCC1C2CC(CC2O)C1(CC)CC | unichem_smiles | 16 |
CCc1noc(-c2ccc(CCN=C(O)COc3c(C)nn(C)c3C)cc2)n1 | unichem_smiles | 37 |
Cc1ccc(C(O)=NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(C(=O)N2CCOCC2)c1 | unichem_smiles | 46 |
CC(CC1CC1)NC(O)=NCC1(CCO)CCCCC1 | unichem_smiles | 21 |
C=C(CN)C(Cl)CC | unichem_smiles | 11 |
CCCOc1ccc(C(Br)c2ccccc2CC)cc1Br | unichem_smiles | 20 |
C/C=N/NN(C)NC | unichem_smiles | 11 |
O=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCC(c2ncco2)CC1 | unichem_smiles | 34 |
CN=C(S)NCCNCC1(C)CC(=O)C(C)=N1 | unichem_smiles | 25 |
Cc1cc(C(O)=NCc2nc(C(C)(C)C)cs2)c(C)n1-c1ccc2c(c1)OCCO2 | unichem_smiles | 45 |
CSc1nnnn1-c1cc(C)cc(C)c1 | unichem_smiles | 19 |
C=C(C)[C@@H]1CC[C@]2(COC(=O)CNCCN(C)CCCCO)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](OC(=O)CC)C(C)(C)C5CC[C@]43C)C12 | unichem_smiles | 85 |
Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 | unichem_smiles | 42 |
CCCOCC(=O)N1CCCCC[C@H]1c1ccncc1 | unichem_smiles | 23 |
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cccc2cccnc12 | unichem_smiles | 28 |
CC(CCS(C)=O)NC(C)c1cc(F)cc(F)c1 | unichem_smiles | 25 |
CCc1cccc(CC)c1N=C(O)CS(=O)C(CC)CC | unichem_smiles | 25 |
Cc1c(N=C(O)[C@H](C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] | unichem_smiles | 39 |
CN[C@]12CS[C@@H](CCCCC(=O)O)[C@H]1N=C(O)N2 | unichem_smiles | 33 |
CC(O)=NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1 | unichem_smiles | 30 |
CCC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C)c3ccc(F)cc32)cc1 | unichem_smiles | 36 |
CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.[Mo] | unichem_smiles | 42 |
Cc1cccnc1C=CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] | unichem_smiles | 32 |
O=[N+]([O-])c1ccc(N2CCOCC2)c(C(O)=Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 | unichem_smiles | 52 |
Cc1ccc([C@H](O)C2CC(C)C2)[nH]1 | unichem_smiles | 24 |
C=Cc1cc(OC)c(OC)cc1C(=[NH+]C(C)=O)N1CCc2cc(OC)c(-c3ccccc3)cc2C1 | unichem_smiles | 48 |
Cc1cccc(C)c1OCC(O)=NN=C(O)Cc1c(C)nn(C)c1C | unichem_smiles | 34 |
COC(=O)C(Cc1ccccc1)N1CCC(C)(O)C([N+](=O)[O-])C1c1ccccc1 | unichem_smiles | 41 |
Cc1ccc(CN2C[C@@H]3CC2C[C@H]3c2sc3[nH]c(-c4cn5ncnc5c(C)c4C)c(C(C)C)c3c2C)cc1 | unichem_smiles | 64 |
Cc1ccc(N=C(O)[C@H](C)S(=O)(=O)Cc2nccn2Cc2ccccc2)c(C)c1 | unichem_smiles | 45 |
CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(CCN)C1 | unichem_smiles | 31 |
COC(=O)c1c(C)c(C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)c(C)n1C | unichem_smiles | 56 |
Cc1cccnc1Cn1nnc(N)c1C(C)C | unichem_smiles | 21 |
COc1cccc(CN=C(O)CNS(=O)(=O)c2ccccc2C#N)c1 | unichem_smiles | 31 |
Cc1ccc2c(c1)=C/C(=C1\N=C(CCN(C)C(=O)c3ccc(F)cc3F)NO1)N=2 | unichem_smiles | 48 |
CCN1CCC2(CC1)N=C(SCC(=O)[NH2+]c1ccc(C)cc1)C(c1ccc(F)cc1)=N2 | unichem_smiles | 45 |
Cc1ccccc1N1CCN(C(=S)c2ccc(O)cc2)CC1 | unichem_smiles | 27 |
Cc1cc(C(=O)N2CCN(c3cccc(C(O)=NC(CO)C(=O)O)c3)CC2)n(-c2ccccc2)n1 | unichem_smiles | 50 |
COc1ccc(C(=O)N2CCC(N=C(O)COc3ccc(C)c(C)c3)CC2)cc1 | unichem_smiles | 39 |
CC(C)(C)CN1CCN(CCC(=O)OCI)CC1 | unichem_smiles | 21 |
CCCCN(CCCC)C(N(CC(C)C)N=[N+]=[N-])(N(C(C)C)C(C)C)C(C)(C(N(C)C)N(CC)CC)N(CCC)CCC | unichem_smiles | 62 |
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C)C3)cc1 | unichem_smiles | 49 |
CC(Nc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1)c1ccccc1 | unichem_smiles | 32 |
CC(C)CC(N)C(O)=NCC(O)=NC(Cc1ccccc1)C(O)=NC(CC(=N)O)C(=O)O | unichem_smiles | 45 |
CC1(CN=C(O)CC2CSCCN2)CCCCC1O.Cl | unichem_smiles | 22 |
C=C/C=C\c1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(Cc4ccccc4F)C[C@@H]3C)cc2)c1N | unichem_smiles | 58 |
Cn1c(=N)[nH]c2c(nc(-c3ccccc3)n2C2CC(O)C(CO)O2)c1=O | unichem_smiles | 42 |
COC(=O)C=Cc1ccc(OC(=O)Cc2ccc(Br)cc2)c(OC)c1 | unichem_smiles | 34 |
CO[C@@H](C)C(O)=Nc1cccc(N=C(O)CCN=C(O)C2CCCC2)c1 | unichem_smiles | 37 |
CCN(C(=O)c1ccc2c(c1)N(C1CC1)C(C)C(=O)N2C)c1ccc(C)cc1 | unichem_smiles | 45 |
O=C(O)[C@@]12C[C@@H]3C[C@@H](CC(C45C[C@H]6C[C@@H](C4)C[C@](C(=O)N4Cc7ccccc7C4)(C6)C5)(C3)C1)C2 | unichem_smiles | 78 |
C=CCCCCCCCC[C@H](C(O)=NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2N=C(O)[C@H]1CC(C)C | unichem_smiles | 58 |
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