text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
N=C(O)c1cccc2c(=NCc3c(F)cccc3C(F)(F)F)[nH]c(N3CCc4n[nH]cc4C3)nc12 | unichem_smiles | 52 |
CC(C)(C)n1nc(C(=O)[N-]c2nc(C#N)c(C#N)[nH]2)cc1C1CC1 | unichem_smiles | 43 |
CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3[c-]c(OC4=C=c5c(c6cccc[c-]6[n+]5=c5cc(C(C)(C)c6ccccc6)cc[n-]5)C=C4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pt] | unichem_smiles | 106 |
CCOC(=O)[C@@H](Cc1ccccc1)N=C(O)CBr | unichem_smiles | 25 |
O=[N+]([O-])c1ccc(C=NN=C(O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 | unichem_smiles | 45 |
C[NH+]=C(O)N=C(O)[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 | unichem_smiles | 38 |
Cc1cc(F)cc(-c2cnnc(-c3[nH]c4cc(C#N)ccc4c3C#N)c2N2CCC(N)CC2)c1 | unichem_smiles | 49 |
C=Cc1ccc(CCCC)cc1CC | unichem_smiles | 12 |
Cc1ccnn1-c1ccc(C(=O)OCC(O)=Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 | unichem_smiles | 42 |
Cc1nn2c(c1-c1ccccc1)N=C1CCCC(O)=C1C2c1cccnc1 | unichem_smiles | 33 |
C[C@@H]1CN(C[C@H](O)CN(C)Cc2ccccc2)CCN1C[C@@H](C)O | unichem_smiles | 40 |
CCc1ccccc1-c1cc2c3ccccc3n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2cc1CC | unichem_smiles | 43 |
Cc1cc(C)c(N2CN(c3ccccc3-c3ccccc3[O-])[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c(C)c1.Cc1cc(C)c(N2CN(c3ccccc3-c3ccccc3[O-])[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c(C)c1.[Ag+].[Ag+] | unichem_smiles | 120 |
CCCCCCCCCCc1cccc2c1=CC(CCCCCCCCCC)(CCCCCCCCCC)N=2 | unichem_smiles | 23 |
Cc1ccccc1CN1CCC(N=C(O)COc2cccc(C=O)c2)CC1 | unichem_smiles | 30 |
C/C(=C\C(=O)N1CCC[C@@H]([C@@H](C)O)C1)c1cccc(F)c1 | unichem_smiles | 40 |
CC(N=C(O)CC(CC(=O)O)C(=O)O)C(Cc1ccc(Cl)c(Cl)c1)OC(=O)c1ccc2ccccc2n1 | unichem_smiles | 54 |
COc1ccc2cc1Oc1cccc(OC)c1CN=C(O)[C@@H](C(C)C)N=C(O)CN(C(=O)Cc1cc[nH]n1)CCCCN=C2O | unichem_smiles | 62 |
CNC[C@H]1CCCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 | unichem_smiles | 46 |
Cc1csc(-c2nc(I)ns2)c1Cl | unichem_smiles | 18 |
O=C1C(c2ccccc2)=NNC1=C1CC(c2ccc(Cl)cc2)=CN1 | unichem_smiles | 31 |
C=CCC(C)NS(=O)(=O)c1ccnc(Cl)c1 | unichem_smiles | 23 |
O=c1nc(O)c(Br)cn1C[C@@H](O)CBr | unichem_smiles | 24 |
c1ccc(-n2c3ccccc3c3c4c(ccc32)sc2c(-n3c5ccccc5c5ccccc53)ncnc24)cc1 | unichem_smiles | 43 |
CCOc1cc(Br)c(CC(=O)O[C@@H](CC)C(=O)N=c2cc(C)o[nH]2)cc1OCC | unichem_smiles | 47 |
N#C[C@@H](CBr)c1nccn2cnnc12 | unichem_smiles | 20 |
COC(=O)c1c(O)c(Cl)c(N)c(Cl)c1Cl | unichem_smiles | 27 |
Cc1cccc(NN=C(O)CC2CCC(C)C2)c1 | unichem_smiles | 22 |
CC1CN(c2ccc(CN=C(O)C=Cc3cncc(F)c3)cn2)CCO1 | unichem_smiles | 33 |
Cc1ccccc1N=c1cc(N)nc(C(C)C)[nH]1 | unichem_smiles | 26 |
Cc1ccc2c(N)c(F)ccc2c1Oc1ncccc1N=[N+]=[N-] | unichem_smiles | 32 |
COc1cccc2c1OC[C@H](N(Cc1ccccc1)Cc1ccccc1)C2 | unichem_smiles | 31 |
CC(C)(C)CN(CC(F)(F)F)C(=O)CCN=C(O)C12CC3CC(CC(C3)C1)C2 | unichem_smiles | 44 |
OCc1cnc(N2CCOc3c(C(O)=Nc4ccc(Br)c(F)c4)cccc32)c(Cl)c1 | unichem_smiles | 41 |
CCN(C(=O)CC(C)CC(=O)O)C1CCNCC1 | unichem_smiles | 25 |
CCN(C[C@H]1CCCO1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C | unichem_smiles | 36 |
COC(=O)c1cccc(COc2c(-c3ccc(OCCCCc4cn(Cc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1 | unichem_smiles | 50 |
CC1(C)COP(=O)([C@@H]2CCC[S@]2=O)OC1 | unichem_smiles | 27 |
CC(=O)c1csc(N=C(O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)n1 | unichem_smiles | 44 |
COCCCOCCN(C)Cc1csc([N+](=O)[O-])c1 | unichem_smiles | 25 |
CC(O)=N/C=C/CCC(C)(C)C | unichem_smiles | 17 |
O=C1C=CC(=CNN=C(O)CCc2ccccc2)C=C1[N+](=O)[O-] | unichem_smiles | 36 |
CCC(C)CSc1ccc(CN)cc1C(F)(F)F | unichem_smiles | 20 |
CNCC[C@]1(CC[C@H]2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)C[C@H]1OOC[C@H](O)[C@](O)(CN1CC=C2N=CC=C21)[C@H](O)[C@H](O)CO | unichem_smiles | 106 |
CC(=O)O.CCCc1ncc(CC)cc1CC | unichem_smiles | 18 |
CCc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)s1 | unichem_smiles | 28 |
CC(C)c1nnc2c(NCC(O)=NCc3ccc(Br)cc3)nc3ccccc3n12 | unichem_smiles | 33 |
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1O2 | unichem_smiles | 56 |
C=CC(O)=NCC#Cc1ccc2c[nH]c(=N)c(C#Cc3ccc(C(=O)NCCCN4CCCCC4)cc3)c2c1 | unichem_smiles | 53 |
O=c1c2sccc2nc(SCCCn2ccnc2)n1Cc1ccccc1 | unichem_smiles | 27 |
CCc1ccc(CN(C)Cc2cc(=O)oc3cc(N=C(C)O)ccc23)cc1 | unichem_smiles | 34 |
C=C1CC(C)(C)CC(=C)C1=CN=c1cc[nH]cc1 | unichem_smiles | 29 |
C=C(N=C(O)N1CC2CN(Cc3ccccc3F)CC2C1)/C(N)=C\C=C(/C)n1cccn1 | unichem_smiles | 46 |
O=C([C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1)N1CCN2C(O)=NCC2C1 | unichem_smiles | 47 |
COc1ccc(Nc2cc(-c3c(F)cccc3Cl)[nH]c3cn(Cc4ccc(OC)cc4OC)c(=O)c2-3)nc1 | unichem_smiles | 50 |
CCN(C(=O)C1c2ccccc2C(=O)N(CC(C)C)C1c1cccs1)c1ccccc1 | unichem_smiles | 41 |
CC[C@H](C)[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O | unichem_smiles | 183 |
CC[C@@]1(C)CN(C(=O)c2cnc(N(C)C)cn2)CCO1 | unichem_smiles | 33 |
C[C@@H]1CCc2ncnc(N3CCN(C(=O)[C@H](CN4CCC(O)CC4)c4ccc(OC(F)(F)F)c(F)c4)CC3)c21 | unichem_smiles | 60 |
Cc1cc(CN(C)Cc2ccc(S(C)=O)cc2)ccc1F | unichem_smiles | 26 |
COc1ccc(Oc2ccc(CCN=C(O)Cc3nc(O)[nH]c3O)cc2)cc1 | unichem_smiles | 36 |
CCOCCCN=C(O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1 | unichem_smiles | 36 |
CC1(N=[N+]=[N-])OCC2CN1C2(C)C | unichem_smiles | 23 |
CCCCCCC(C)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(N1C(=O)c2ccc4c5c(ccc(c25)C1=O)C(=O)N(C(C)CCCCCC)C4=O)C3=O | unichem_smiles | 85 |
CC12CCC(O)CC13C=CC1(C(C(=O)c4ccc(-c5cc(C(F)(F)F)ccc5Cl)o4)=C3)C2CCC2(C)C1CCC2(O)CN(CCc1cccs1)C(O)=Nc1ccccc1 | unichem_smiles | 79 |
Cc1cc(O)cc(=O)n1C(C)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 | unichem_smiles | 41 |
C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2 | unichem_smiles | 211 |
Cc1cc(OCc2ccccc2)c(Br)cc1C(=O)N1Cc2ccccc2C1 | unichem_smiles | 33 |
CCC(C)N1C(=O)C(C#N)=C(C)C(=C(O)COc2ccc(OC)cc2)C1=O | unichem_smiles | 42 |
[O]c1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O | unichem_smiles | 33 |
Cc1cc(N(C)C)nc(C2COCCN2S(=O)(=O)C2CCCC2)n1 | unichem_smiles | 34 |
O=S(=O)(NCC(O)=NCCc1cccc(F)c1)c1cccc(C(F)(F)F)c1 | unichem_smiles | 37 |
CS(=O)(=O)C1CCCC(NCC2(O)CCCCCC2)C1 | unichem_smiles | 24 |
O=S(=O)(Nc1ccc(Oc2cnccn2)cc1)c1ccc(OCC2CCOC2)c(F)c1 | unichem_smiles | 40 |
CC(C)Cc1noc(CNc2cccc(OCC(=O)N3CCCC3)c2)n1 | unichem_smiles | 31 |
Cc1ncsc1CCOCC(N)C(=N)O | unichem_smiles | 18 |
CCc1ccc(S(=O)(=O)NC(C)C2CCOCC2)cc1N | unichem_smiles | 27 |
O=C(C1CCC1)N1CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1 | unichem_smiles | 33 |
Cn1c(C(C#N)C(=O)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 | unichem_smiles | 38 |
COC(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(C#Cc2cnc(N3C[C@H]4C[C@@H]3CN4C3COC3)nc2)cc1)[C@@H](O)CN(Cc1ccc(-c2ccn(C3CC3)n2)cc1)N=C(O)[C@@H](NC(=O)O)C(C)(C)C(F)(F)F)C(C)(C)C(F)(F)F | unichem_smiles | 137 |
O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-n4cc5cccnc5c4)c(F)cc3N12 | unichem_smiles | 45 |
C[C-]=NOc1nc(C(F)(F)F)ncc1C(=CC)C(=O)OC.[Y] | unichem_smiles | 35 |
CC(C)(C)c1cc(NCC(F)(F)F)ncc1Cl | unichem_smiles | 23 |
COc1ccc(NC(=O)[C@@H](C)C2=C(C)N=N[C@H]2C)cc1 | unichem_smiles | 36 |
CNC1CCCCC1OCC(O)=Nc1ccccc1Cl | unichem_smiles | 18 |
CN1c2ccc(CC(=O)O)cc2Sc2cccnc21 | unichem_smiles | 20 |
Cc1noc(C)c1CCC(O)=N[C@@H]1CCCCN=C1O | unichem_smiles | 27 |
COc1ccc(C=CC(O)=NC(S)=NN=C(O)c2cccc(C)c2)cc1OC | unichem_smiles | 33 |
COc1ccc([C@@H](CC(=N)O)c2oc(CN3CCCCC3)cc(=O)c2O)c(OC)c1 | unichem_smiles | 41 |
CCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)CCCCCCCCCCCC | unichem_smiles | 51 |
CCOc1ccc(-c2cccc(C#N)c2)cc1 | unichem_smiles | 19 |
C[C@]12CC[C@H]3[C@@H]([C@@H](O)CC4CCCC[C@@H]43)[C@@H]1CCC2=O | unichem_smiles | 44 |
Cc1ccccc1OCc1ccnc(Br)c1 | unichem_smiles | 16 |
CSCCC(C)N(C)Cc1cc(F)ccc1C(N)=S | unichem_smiles | 23 |
CCn1c(CCC(O)=NCc2cccc(C(O)=NC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 | unichem_smiles | 43 |
Cc1cc(C)c(N=C(O)CCC(C)CCN)c(Br)c1 | unichem_smiles | 28 |
CCCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1CN1CCCC1 | unichem_smiles | 32 |
Cc1noc(C)c1-c1cc(C(O)(C2CCCC2)C2CCCC2)c2[nH]c(NS(C)(=O)=O)nc2c1 | unichem_smiles | 50 |
CC(C)(C)C(=O)CNC(=O)c1ccc(Br)s1 | unichem_smiles | 25 |
COc1ccc(N2CCN(c3nccc(=Nc4cc(-c5nc6ccccc6o5)ccc4C)[nH]3)CC2(C)C)cc1 | unichem_smiles | 49 |
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