text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1O | unichem_smiles | 29 |
COc1ccccc1C[C@@]1(C)N=C(O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O | unichem_smiles | 46 |
CCOc1ccccc1-n1nnnc1SCCCn1cnc2c(N)ncnc21 | unichem_smiles | 27 |
COCCCn1ccc2cc(-c3cc(C(=N)O)ccn3)ncc21 | unichem_smiles | 26 |
CCCCCCCCCCCCCCCC(=S)OCCC[Si](OCC)(OCC)OCC | unichem_smiles | 21 |
COCC(CBr)N=C(O)c1cn(C)cn1 | unichem_smiles | 20 |
ON=C1c2ccccc2[C@H]2C[C@@H]2c2ccccc21 | unichem_smiles | 27 |
CN1CCCC(CN=C(O)NCC(O)C2CCCCC2)C1c1cccs1 | unichem_smiles | 28 |
CN(CCc1cccc2ccccc12)C(=O)c1ccc(-n2ccnn2)cc1 | unichem_smiles | 28 |
O=C(C1=CS[C@@H]2N=C(c3ccccc3)CN12)N1CCC[C@H](C2[NH+]=c3ccccc3=[NH+]2)C1 | unichem_smiles | 54 |
O=C(O)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 | unichem_smiles | 40 |
CC1=C[C@](O)(CC(=O)Oc2cc(C)cc(O)c2)OC1=O | unichem_smiles | 33 |
CC(C)(C)OC(=O)c1cccc(-c2cc3ccccc3s2)c1 | unichem_smiles | 27 |
CC(CN=C(O)C1CCCN(CC(F)(F)F)C1)c1nccs1 | unichem_smiles | 30 |
COC(=O)CCCCC(O)c1ccc(C#N)cc1 | unichem_smiles | 21 |
C=CCOCC(O)CNC(C)C(=O)OC | unichem_smiles | 19 |
Cc1ccc(C(O)=NCc2ccccc2CN2CCC(O)CC2)c(O)c1 | unichem_smiles | 30 |
CO[C@@H]1CC[C@@H](S(=O)(=O)c2ccc(-c3ccnnc3)cc2C(F)(F)F)C1 | unichem_smiles | 44 |
COc1cc(CNCC(C)(C)O)ccc1OCc1ccc(F)cc1 | unichem_smiles | 25 |
CC(Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ncn(C)c1Cl | unichem_smiles | 36 |
OC(=Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)C1CCCN(C(O)=Nc2ccccc2)C1 | unichem_smiles | 44 |
Cc1ccc(C(=N)N)cc1OCc1cccc(Cl)c1 | unichem_smiles | 23 |
CC(=NO)c1ncc(C(O)=Nc2cc(C(F)(F)F)c(Cl)cn2)s1 | unichem_smiles | 36 |
CCS(=O)(=O)NC(CCSC)C(=O)N1CCC[C@@H]1C(=O)O | unichem_smiles | 34 |
CC1(C)CCC(OC(=O)C2CC=CCC2C(=O)[O-])CC1 | unichem_smiles | 28 |
Cc1nn(C)cc1-n1nnnc1-c1ccccc1N | unichem_smiles | 22 |
O=[N+]([O-])c1cc2nc(O)c(O)nc2c2c1CC(C(O)=Nc1ccccc1)C2 | unichem_smiles | 42 |
CCc1nc2sc(C(c3cccc(OC)c3)N3CCC(=O)CC3)c(O)n2n1 | unichem_smiles | 36 |
CCCN(C)C(C)(C)I.I | unichem_smiles | 14 |
C=C/C(=c1/nccc/c1=C/C)N1CCCN(C(CC)C(=O)OC)CC1 | unichem_smiles | 38 |
COc1ccc(N=C(O)N2CCCC(N=C(O)c3cccnc3)C2)cc1OC | unichem_smiles | 33 |
S=C(N=C1SCCS1)c1ccccc1 | unichem_smiles | 18 |
O=C1C[C@H](c2ccccc2)CN1CC(O)=NCCc1ccccc1 | unichem_smiles | 29 |
O=c1nc(O)c(I)cn1[C@@H]1O[C@H](CO)[C@H](O)C1O | unichem_smiles | 37 |
[CH2+]CCCCCCCC(CC)CCCCCCCCCCCCCCCC[CH2-] | unichem_smiles | 19 |
[N-]=[N+]=NC1Oc2c([nH]c3ccccc23)C1=S | unichem_smiles | 28 |
CCS(=O)(=O)CCN(C)Cc1nc(C2CC2)no1 | unichem_smiles | 26 |
Cc1cc(NC(=O)c2c(C)c(C(=O)C(O)=NC3(C)CCC(O)CC3)n(C)c2-c2nccs2)ccc1F | unichem_smiles | 56 |
CC(SS)c1cncc(F)c1C=N | unichem_smiles | 16 |
CCN(CC)c1ccc(/C=N/c2ccc(/N=C/c3ccc([NH+](CC)CC)cc3O)cc2)c(O)c1 | unichem_smiles | 45 |
CC(O)C(O)=NCC[C@H](N)C(=O)O | unichem_smiles | 23 |
OC1=Nc2cc(NCCc3ccccc3)ccc2OC1 | unichem_smiles | 20 |
c1ccccc2ccccc(ccc1)CCCC2 | unichem_smiles | 13 |
CC1COC(C)O1.COC#CC(C)=O | unichem_smiles | 18 |
CC1CN(Cc2ccc(F)c(F)c2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 | unichem_smiles | 49 |
Cc1cc(N2CCN(CC(O)=Nc3ccccc3C(O)=[NH+]C3CC3)CC2)nc(C(C)C)[nH+]1 | unichem_smiles | 49 |
CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 | unichem_smiles | 57 |
CNC1C[C@H]2CCC[C@H](C1)N2[C@H](C)C(=O)N(C)C | unichem_smiles | 38 |
C=CCSCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 | unichem_smiles | 31 |
C[N+](C)(C)CCOP(O)OCC[N+](C)(C)C | unichem_smiles | 25 |
CCCCCC[C@@H](C)N1C=C(C(=O)O)N=CC1 | unichem_smiles | 26 |
CC.CCCC.O.O | unichem_smiles | 7 |
O=C1C(=O)N(c2ccc(F)cc2)C(c2c[nH]c3ccccc23)/C1=C(\O)c1ccccc1 | unichem_smiles | 47 |
N=C(N)NCCC[C@H](N=C(O)[C@@H]1CC2CCCCC2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)N=C(O)[C@@H](O)[C@H](O)C(O)=N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O | unichem_smiles | 160 |
CCC(C)(C)OCC(O)C12CC3CC(CC(C3)C1)C2 | unichem_smiles | 27 |
Cc1nn(C)c(C)c1-c1ccc(C(=O)NCc2cccnc2)s1 | unichem_smiles | 32 |
CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(CC)n1N | unichem_smiles | 29 |
Cc1cc(-c2nc3cccnc3s2)ccc1NC(C#N)=C(C#N)C#N | unichem_smiles | 32 |
CN=C(O)c1cc(-c2c(C)noc2C)cc2c1c1cc(C(=O)N3CC(F)C3)ccc1n2C(C)c1ccccc1 | unichem_smiles | 56 |
CN1C(C)(C)CC2C=CC1(C)C1C(=O)N(c3ccccc3)C(=O)C21 | unichem_smiles | 39 |
Clc1ccc(SC2CCN(Cc3cccnc3)CC2)cc1 | unichem_smiles | 22 |
CN(Cc1cccnc1)C(O)=NCCc1ccccc1Cl | unichem_smiles | 21 |
Cc1ccc(C(=O)CC(=O)C(=O)Nc2cncs2)cc1 | unichem_smiles | 29 |
CS(=O)(=O)c1ccc(-c2cc(=NCCO)[nH]c3c(-c4ccnn4C4CCCCO4)nccc23)cn1 | unichem_smiles | 45 |
Cc1cccc(-c2nnc(S)n2CC(O)=Nc2ccc(N(C)C)nc2)c1 | unichem_smiles | 34 |
CCCNc1ncnc(NC(C)CS(C)=O)c1[N+](=O)[O-] | unichem_smiles | 29 |
COc1ccc(C(=N)O)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 | unichem_smiles | 38 |
C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCO2)c1ccccc1F | unichem_smiles | 35 |
COC(Oc1ccc(Sc2nc(C)c(C)s2)cc1)C(C)(C)C | unichem_smiles | 31 |
CCCC[N+]1(C)C=CN(C)C1 | unichem_smiles | 17 |
Cc1cc(F)c(C(=O)c2cccc3c(O)nccc23)c(F)c1CCN | unichem_smiles | 34 |
CN(CC1CC1)S(=O)(=O)c1ccc(CN)cc1Br | unichem_smiles | 24 |
CCC(CCN)CCC(O)=NCC1CCCN(C)C1 | unichem_smiles | 19 |
C[C@H](N)Cc1ncns1 | unichem_smiles | 14 |
CCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C | unichem_smiles | 65 |
COC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(C)cc1C | unichem_smiles | 30 |
CCOC(=O)C1CCN(c2c([N+](=O)[O-])c(C=NNc3ccccc3)nn2-c2ccccc2)CC1 | unichem_smiles | 46 |
C[C@@H]1C=C2C(=O)OC3CCC(C1)[C@]23OCc1cccnc1N1CCCC1 | unichem_smiles | 37 |
CN=c1nc(N2CCNCC2)c2sc3nc(N(C)C)ccc3c2[nH]1 | unichem_smiles | 34 |
CCOc1ccccc1C(CC)N=C(O)C(C)CC | unichem_smiles | 22 |
OCC(CO)Nc1cnnc(O)c1Br | unichem_smiles | 16 |
COc1ccc([C@@]2(C)C[C@H]2CN)cc1F | unichem_smiles | 24 |
CC(C)(C)OC(=O)N1CCC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1 | unichem_smiles | 45 |
O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2CN(c3ncc4cc(F)ccc4n3)C[C@@H]2C1 | unichem_smiles | 54 |
CC(C)c1ccc(S(=O)(=O)Nc2ccc(SCc3ccc(F)cc3Cl)nc2)cc1C(=O)O | unichem_smiles | 43 |
C#CC[C@@](O)(C#CC1=C[C@H]2O[C@H]2[C@@]1(COCc1ccc(OC)cc1)OCOC)[C@H]1COC(C)(C)O1 | unichem_smiles | 62 |
N=C(O)N=C(O)C1CCC(N=C(O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 | unichem_smiles | 46 |
C=C/C=C\C=C\CNCC(C)N(CC=C)C(=O)c1ccc(/N=C/c2ccc(Cl)cc2)c(/N=C/CCCCC(=O)O)c1 | unichem_smiles | 61 |
Cc1cccnc1NC(O)=NC1CCN(c2ccccc2OC(F)F)C1 | unichem_smiles | 28 |
COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1 | unichem_smiles | 37 |
N[C@H]1[C@@H]2CCC(C2)C12C[C@@H](O)[C@H](O)C2 | unichem_smiles | 36 |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2CC(C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](NC)[C@H]2OCCCN=C(O)C=C(C)C)C(C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | unichem_smiles | 137 |
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(O)=NCCOc1ccccc1 | unichem_smiles | 34 |
CC(=O)C1=NN(c2ccccc2)C2N1c1ccccc1N1C(C(C)=O)=NN(c3ccccc3)[C@@]21C | unichem_smiles | 48 |
CC1Nc2ccc(F)cc2OC1C(=O)O | unichem_smiles | 19 |
CC[C@@H](C(O)=Nc1cnn(C)c1C(=O)O)n1nc([N+](=O)[O-])cc1C | unichem_smiles | 43 |
COc1ccc([C@H](C)N=C(O)[C@@H]2[C@H]3C(O)=Nc4ccccc4C(=O)[C@@]32C)cc1OC | unichem_smiles | 52 |
CCCN=C(O)c1cccc(N=C(O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 | unichem_smiles | 55 |
COc1cc([C@H]2CC(COC=O)[C@@H](OC([O-])=N/N=C/c3cccc(OCCCN(C)CCC(O)(P([O-])O)P(=O)(O)O)c3)c3cc4c(cc32)OCO4)cc(OC)c1OC.[Na+].[Na+] | unichem_smiles | 93 |
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(CO)=C(F)F)CCC12 | unichem_smiles | 34 |
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