text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
Cc1nc2ccccc2n1CCN1CCN(c2ncnc3[nH]cnc23)CC1 | unichem_smiles | 31 |
CC1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1C(C(O)=NC1CCCCC1)c1ccncc1 | unichem_smiles | 57 |
O=C(C1=[C]C2C=CC1C2)C(F)(F)F.[CH3].[CH3].[CH3].[Sn] | unichem_smiles | 37 |
CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 | unichem_smiles | 91 |
COC(=O)c1cc2ccc(F)c(C=O)c2s1 | unichem_smiles | 24 |
CC#CCC(NN)c1cc2ccccc2o1 | unichem_smiles | 15 |
CCOc1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 | unichem_smiles | 34 |
CC(=O)C1CCN2C1=CCC2C(=O)c1ccccc1 | unichem_smiles | 25 |
CCN1CCN([C@@H]2CCCNC2)C1=O | unichem_smiles | 19 |
CN=C(O)Cc1nc(CN(C)CCCc2ccccc2)cs1 | unichem_smiles | 24 |
C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N(C)CC1CC1 | unichem_smiles | 34 |
CC.CC.CCC1CCCCC1.CCc1ccccc1.[HH] | unichem_smiles | 19 |
CN(C)C(N)=CC(N)=Nc1cccc(Cc2ccccc2)c1 | unichem_smiles | 26 |
O=CO.O[C@](c1ccccc1)(c1ncc(C[N+]23CCC(CC2)C(COc2cccc(F)c2)C3)o1)C1CCCCC1 | unichem_smiles | 54 |
C=C(C)COCc1ccccc1 | unichem_smiles | 13 |
C[C@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCC[C@@H]1C | unichem_smiles | 45 |
c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6[nH]c7ccccc7c6c5)c4cc32)cc1 | unichem_smiles | 47 |
O=P1([O-])OCC2OC(n3cnc4c3ncn3ccnc43)C(O)C2O1.[Na+] | unichem_smiles | 39 |
OC(=NCCN1CCC2(CCCCC2)CC1)N1CCCCC1c1ncc[nH]1 | unichem_smiles | 31 |
OC(Cn1c(S)nnc1-c1cccs1)=N[C@H](c1ccccc1)c1cc2ccccc2o1 | unichem_smiles | 40 |
C[C@@H](c1ncc(-c2cccc(F)c2)[nH]1)C(C)(C)CCc1cccc(F)c1.N[C@@H](CF)CCN=C(O)N1CCOCC1 | unichem_smiles | 62 |
Cc1cc(C)nc(Sc2ccc(NC(=O)C=Cc3ccccc3[N+](=O)[O-])cc2)n1 | unichem_smiles | 41 |
COc1ccc(C[C@H](C)S)cc1 | unichem_smiles | 17 |
CC1(C)CCC[C@H]1[C@H](N)C1=CCCC1 | unichem_smiles | 24 |
CCOC(=O)c1cnc(SC)n2c(C)nnc12 | unichem_smiles | 22 |
Cc1ccc2c(c1)CCN(C(=O)CCC(=O)c1cccnc1)[C@H]2c1ccccc1 | unichem_smiles | 39 |
CC1CCCCCN1Cc1cc(CNC2CC2)ccc1F | unichem_smiles | 19 |
CN(C)C(CN=C(O)CN=C(O)C1C=Nc2ccccc2C1=O)c1ccccc1 | unichem_smiles | 38 |
CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1nc2c(OC)ccc(OC)c2s1.Cl | unichem_smiles | 55 |
CN1CCC(CCC2(N)CC2)CC1 | unichem_smiles | 14 |
O=C(C1CCCc2n[nH]cc21)N1CCN(CCOc2ccccc2)CC1 | unichem_smiles | 32 |
COc1ccc2c(c1)[C@]1(CCN[C@H]1c1cccc(F)c1)C(O)=N2 | unichem_smiles | 38 |
CC(=O)C1=NN(c2ccccc2Cl)C2C(=O)N(c3ccc(C)cc3C)C(=O)C12 | unichem_smiles | 43 |
CNC(C)C(O)=NC(C(=O)N1CCCC1c1noc(C(=O)c2ccccc2)n1)C1CCCCC1 | unichem_smiles | 44 |
CN1CCC=C1C(O)=NCc1nc(-c2ccnc(O)c2)no1 | unichem_smiles | 27 |
O=[N+]([O-])c1ccc2nc(/C=C/c3cnn(Cc4ccccc4)c3)[nH]c2c1 | unichem_smiles | 41 |
C[C@]1(c2nc(N=C(O)c3ncc(C(F)F)nc3N)ccc2F)NC(=N)OCC1(F)F | unichem_smiles | 48 |
COc1ccc(CN=C(O)c2cnc(O)c3ccccc23)cc1C | unichem_smiles | 27 |
C=CC(O)C(O)CC(C)C | unichem_smiles | 15 |
C[C@H](N=C(O)NC1(c2ccccc2)CCC1)c1ccc(N2CCOCC2)cc1 | unichem_smiles | 37 |
C=CCCC(=O)N(C)[C@@H](CCOCC(O)=NC(C)(C)C)C(=O)O[C@@H]1C(COP(=O)(O)[C@@H]2C(COP(=O)(O)O)OC(n3ccc(=N)nc3O)[C@@H]2O)OC(n2cnc3c(N)ncnc32)[C@@H]1O | unichem_smiles | 107 |
Cc1cccc(N=C(O)Cc2c(C)noc2C)n1 | unichem_smiles | 25 |
O=C(CCN1CC[C@H]2[C@H](C1)OCc1cnnn12)N1CCc2ccccc2C1 | unichem_smiles | 40 |
O=C(Cn1ncc(=O)c2ccccc21)N1CC[C@H]2CCCC[C@@H]2C1 | unichem_smiles | 37 |
Cc1cc(C)n(CCN(C)Cc2cnn3cccnc23)n1 | unichem_smiles | 26 |
Cc1c(N=C(O)CCn2cccn2)cnn1-c1cccc(Cl)c1 | unichem_smiles | 30 |
CCC(O)CNCCNCC(O)CC | unichem_smiles | 12 |
C=CCN(CC#Cc1ccccc1)Cc1cnc(NCC(=O)[O-])nc1 | unichem_smiles | 31 |
CCCNC(C(C)C)C(C)c1ccc(F)c(F)c1 | unichem_smiles | 25 |
CCNCCc1nnc(C2CC3CCC2C3)s1 | unichem_smiles | 19 |
CC(=O)N1CCC(CCC(O)=NCc2csc(-c3ccccc3)n2)CC1 | unichem_smiles | 30 |
C=C(C)C1CCC(C)(C)CC1C(O)=NC(C)CC | unichem_smiles | 25 |
CN(C)C1CCN(c2cc(-c3cn[nH]c3)ccc2N=C(O)C(O)c2ccc(Cl)cc2)CC1 | unichem_smiles | 46 |
O=C(NC1CCCCC1)c1noc(NC2CCCCC2)c1-c1ccc(Cl)cc1 | unichem_smiles | 32 |
CC(N=C(O)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O | unichem_smiles | 54 |
Oc1cccc(-c2ccc(F)cc2)c1F | unichem_smiles | 17 |
Fc1ccccc1[C@@H]1C=C(c2cccc(Br)c2)N=C2N=NNN21 | unichem_smiles | 33 |
O=C(O)c1ccccc1N=C(O)/C=C/c1cccc(Br)c1 | unichem_smiles | 29 |
C#CCN(CC)C(O)=NC(C(=O)O)C(C)CC | unichem_smiles | 25 |
CC1(C#N)CCC(C(=O)O)CC1 | unichem_smiles | 18 |
COC(=O)c1cc(CN=C(O)c2cn(-c3ccc(F)cc3C)nn2)oc1C | unichem_smiles | 36 |
Cc1nc(-c2ccc(S(=O)(=O)NC(C(=N)O)C(C)C)cc2)co1 | unichem_smiles | 37 |
CCc1cc(N2CCC(NC(O)=NCc3ccc(OCC#N)cc3)CC2)ncn1 | unichem_smiles | 32 |
CCCC(N=C(O)CCOCC(F)(F)F)c1cccc(C(F)(F)F)c1 | unichem_smiles | 32 |
COc1c(C(=O)O)ccc2c1nc(-c1ccc(OCc3cc(C(O)=NC(C)C)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1.Cl | unichem_smiles | 62 |
c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1 | unichem_smiles | 101 |
Cc1ccccc1C(O)=NCC[C@H](O)c1cccc(Cl)c1 | unichem_smiles | 27 |
C#CC(CCCC)(CCCC)N1CCC(O)N(c2nnc(CCCC=CC)s2)C1=O | unichem_smiles | 32 |
CC1(C)C2CNCC2CN1Cc1ccccn1 | unichem_smiles | 18 |
c1ccc(-c2cncc(-c3nnc(-c4cccs4)o3)n2)cc1 | unichem_smiles | 28 |
COC(=O)c1ccc(NC(=O)CCc2ccccc2Br)cc1 | unichem_smiles | 25 |
COC(=O)C1CCCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 | unichem_smiles | 34 |
CC(C)OC(O)=NC1CN(c2cncc(Cl)n2)C1 | unichem_smiles | 24 |
Clc1cccc(-c2csc(-c3ccncc3)n2)c1 | unichem_smiles | 22 |
COC(=O)C1=CC23CCCN4CC[C@@]5(c6ccc7c(c6N(C(=O)OC)C15CC2)OCO7)[C@@H]43 | unichem_smiles | 52 |
COC(=O)c1cccc(Cc2cnc(N=C(O)CCC3CCNCC3)s2)c1.Cl | unichem_smiles | 36 |
C/C(F)=C\c1cccnc1Cc1c(CC(=O)O)c(C)cc2ccccc12 | unichem_smiles | 34 |
CC(C)CN(CC(=N)O)CC(=O)c1ccc(Cl)cc1Cl | unichem_smiles | 27 |
COCCCN1C(=O)C(=O)/C(=C(/O)c2cc(C(C)(C)C)ccc2OC)C1c1ccc(OC)c(OC)c1 | unichem_smiles | 51 |
CN(C)CC(N=C(O)N=c1ccn(CCC#N)[nH]1)c1ccccc1 | unichem_smiles | 33 |
CCc1ncsc1C(O)=NCc1cscn1 | unichem_smiles | 17 |
CCN(CC(O)=NCc1cccs1)C(=O)COc1ccc(C=O)cc1 | unichem_smiles | 30 |
O=S(=O)(c1ccc(F)c(P)c1)N1CCCC1C(O)=NCc1cccc(OCc2ccccc2)c1 | unichem_smiles | 42 |
O=[N+]([O-])c1cccc(-c2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c1 | unichem_smiles | 35 |
Fc1ccc(Cl)cc1NCc1ccn(C2CCCCC2)n1 | unichem_smiles | 22 |
CSc1cccc(C(O)=NNc2ccc(F)cc2)c1 | unichem_smiles | 21 |
CCCn1cc(N=C(O)NC(CC)c2ccc(OC)cc2)cn1 | unichem_smiles | 26 |
C#CCN=C(O)C(C)Oc1c(C)cc(CNCC)cc1C | unichem_smiles | 28 |
[N-]=[N+]=NCCC1CCC(NC[C@H](O)c2ccc(O)c3nc(O)ccc23)CC1 | unichem_smiles | 38 |
O=C(CC(=O)c1cccnc1)c1ccc(Br)cc1 | unichem_smiles | 23 |
CC(C)(C)c1ccc(OCC(=O)N(CCN(Cc2ccccc2)C(=O)COc2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 | unichem_smiles | 58 |
COc1cc2c(cc1OC)C(c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)=NN(C)C(=O)C2 | unichem_smiles | 47 |
Nc1ncnc2c1ncn2CCCOC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 | unichem_smiles | 37 |
CCOc1ccc(/C=C/C(O)=Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 | unichem_smiles | 37 |
C[C@H](C(=O)N1CCN=C1O)N1CCN(CC(=O)N2CCCCCC2)CC1 | unichem_smiles | 38 |
c1ccc(-c2nc(-c3ccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)c(-c7ccccc7)n6-c6ccccc6)cc5)c(-c5ccccc5)c5ccccc5c4-c4ccccc4)cc3)n(-c3ccccc3)c2-c2ccccc2)cc1 | unichem_smiles | 94 |
Cc1ccc(N(c2ccc(OCC(O)CO)cc2)c2ccc(C)c(C)c2)cc1C | unichem_smiles | 37 |
COCCN1C(=O)C2C(C(C)C)NC3(C(O)=Nc4ccccc43)C2C1=O | unichem_smiles | 39 |
CN=C(O)Oc1ccccc1-c1ccccc1OC(C)C | unichem_smiles | 23 |
c1ccc(-c2nc3ccccc3nc2-c2ccccc2-c2ccc(-c3nc4ccccc4o3)cc2)cc1 | unichem_smiles | 39 |
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