text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CCC(CO)NC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 | unichem_smiles | 30 |
CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 | unichem_smiles | 38 |
CNC1CCOCC1CN1CCSCC1C | unichem_smiles | 14 |
CCOc1ccc(N2C(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)=NN/C2=C2\C=Nc3ccccc32)cc1 | unichem_smiles | 51 |
COc1cc(-c2onc(N(C)C)c2C(=O)N2CCSCC2)ccc1F | unichem_smiles | 33 |
CC(O)=[NH+]c1cc(C(=O)N2CCN(CC3CCCCC3)CC2)ccc1C | unichem_smiles | 34 |
CCCCN(C)Cc1c[nH]nc1C1CCC(C)(C)C(COCC)C1 | unichem_smiles | 30 |
CC1CN(C(=O)c2ccc(NC(=O)C3CCC(O)=NC3)cc2)CC(C)O1 | unichem_smiles | 36 |
CCCC/C=C(/CC)C(F)(F)F | unichem_smiles | 15 |
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(N=[N+]=[N-])cc1 | unichem_smiles | 38 |
CCCNC(Cc1csc2ccccc12)C1COC(C)C1 | unichem_smiles | 22 |
COCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1 | unichem_smiles | 29 |
CC(C)c1sc(CN)nc1C1CCCC1 | unichem_smiles | 16 |
CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 | unichem_smiles | 40 |
COc1ccc(C2(CN=[N+]=[N-])CCCCC2)cc1[N+](=O)[O-] | unichem_smiles | 33 |
Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)C(C)CO | unichem_smiles | 31 |
Cc1cc(NN=C(O)c2cc(C)n(-c3ccc(F)cc3F)n2)ncn1 | unichem_smiles | 35 |
Cn1ccnc1SCC[NH3+] | unichem_smiles | 13 |
COC(=O)c1ccc(CS(=O)(=O)C2CCOCC2)nc1 | unichem_smiles | 27 |
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1csc(C)n1 | unichem_smiles | 43 |
OC(=NC1CC(NCc2cc3ccccc3[nH]2)C1)c1cc(F)cc(Cl)c1 | unichem_smiles | 36 |
[C-]#[N+]C1CC(O)C(c2ccc(C(O)CCCC(C)(C)C)cc2)C1C#CCCCC | unichem_smiles | 42 |
COc1ccccc1/C(N)=C/N(N)C1CCCNC1 | unichem_smiles | 22 |
OC(=Nc1cccc(O)c1)C1COc2ccccc2O1 | unichem_smiles | 23 |
CCC1=C(N(C=O)CC)C(c2ccc([N+](=O)[O-])cc2)C(N(C=O)CCCN2CCC(C(=O)OC)(c3ccccc3)CC2)=C(CC)N1 | unichem_smiles | 66 |
CSc1ccsc1C(O)=Nc1ccc(N=C(C)O)cc1C(F)(F)F | unichem_smiles | 32 |
CCCn1nnnc1CN1CC2CNCC2C1 | unichem_smiles | 15 |
CCN=C(NCC(O)c1cc(OC)ccc1OC)N1CCC(OCC2CCCO2)CC1.I | unichem_smiles | 35 |
CCC(C#N)c1cc(F)ccc1O | unichem_smiles | 15 |
CC(C)CC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)OC(C)(C)C)C(O)=NCC(O)=NC(CCC(O)=NCC(=O)O)C(=O)OC(C)(C)C | unichem_smiles | 76 |
CC(C)(C)c1ccc(C(O)CN=C(O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 | unichem_smiles | 40 |
CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C | unichem_smiles | 58 |
O=S(=O)(CC(O)=Nc1cccc(OCc2cccnc2)c1)Cc1ccc(Br)cc1 | unichem_smiles | 35 |
CN=C(O)CC(C)c1cccnc1N(N)Cc1ccccc1 | unichem_smiles | 25 |
Cc1ccc(SCCC(=O)N(CCN2CCOCC2)c2[nH+]c3c(C)cc(Cl)cc3s2)cc1 | unichem_smiles | 45 |
Cc1ccc(N=C(O)c2cc(I)ccc2O)c(C(=O)O)c1 | unichem_smiles | 32 |
CCOC(=O)Cn1c(C)c(-c2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc21 | unichem_smiles | 49 |
CC(C#N)N=C(O)C1CCCCN1C(=O)OC(C)(C)C | unichem_smiles | 29 |
NC1CC(Cc2nc3cc4c(cc3[nH]2)N=C(O)CC4)C1 | unichem_smiles | 32 |
CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2csc(-c3cnn(C)c3)n2)CC1 | unichem_smiles | 45 |
COC(=O)c1sc(N=C(O)c2cnn3c2CCCC3)nc1C(C)(C)C | unichem_smiles | 35 |
CC(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Nc2ccccc2)cc1 | unichem_smiles | 48 |
CC(C)(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c3ccc2S(C)(=O)=O)cc1 | unichem_smiles | 55 |
O=C1C[C@@H](C(O)=Nc2ccc(F)cn2)CN1c1ccc(Br)cc1 | unichem_smiles | 34 |
Cc1nc(N)c(Cl)cc1Cl.Cc1nc(NC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)c(Cl)cc1Cl.O=Cc1cc(Cl)cc(Cl)c1.Oc1cccc2cccnc12 | unichem_smiles | 78 |
Cc1cc(O)nc(SCCC(=O)ONN)n1 | unichem_smiles | 20 |
CC1OCCC1SCCCC(C)(NC1CC1)C(=N)O | unichem_smiles | 21 |
O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)C(C(O)=NC1CCCC1)c1ccccc1 | unichem_smiles | 46 |
CN(Cc1cccc(N(C)C)c1)CC(O)c1ccc(S(C)(=O)=O)cc1 | unichem_smiles | 35 |
CN1CCC(Oc2ccc(C(=N)c3cc(C(O)=NC(c4ccccc4)C4CCCC4)ccc3N)cc2)CC1 | unichem_smiles | 44 |
COC(=O)c1cc(C(=O)O)cnc1C(C)C | unichem_smiles | 25 |
CC(C)NC(=N)NC1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1 | unichem_smiles | 36 |
CC(O)=Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3ccccc3S2)c1 | unichem_smiles | 45 |
Cc1ccc([C@H](C(O)=NC(C)(C)CC(C)(C)C)N(C(=O)c2ccc(O)cc2)c2ccccc2Cl)cc1 | unichem_smiles | 52 |
CC(NS(=O)(=O)CC1CC(F)(F)C1)C1(N2CCOCC2)CCCC1 | unichem_smiles | 33 |
COc1cc(C(=O)N=c2sc3ccc(C)c(C)c3n2C)cc(OC)c1OC | unichem_smiles | 37 |
C=C(COCC(=C)C(=O)N(CC)CC)C(=O)N(CC)CC | unichem_smiles | 31 |
Cc1nn(-c2ccccc2)c2c1C(c1ccco1)C1=C(N=CN3N/C(=C4\C=c5ccccc5=CC4=O)N=C13)O2 | unichem_smiles | 60 |
CCCC[C@@H](NC(=N)O)C(O)=N[C@@H](C)c1ccc(OCC(O)=NC2CC2)cc1 | unichem_smiles | 41 |
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(c4ccncc4)CC3)c2C)cc1 | unichem_smiles | 40 |
CC(O)=Nc1ccc(CCN=C(O)C2(c3cccs3)CCCCC2)cc1 | unichem_smiles | 31 |
CCOC(=O)CCN(/N=C(/C(=O)OCC)c1ccc(F)cc1)C1CC1 | unichem_smiles | 34 |
CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc(F)c(C)c2)[C@@H]1O | unichem_smiles | 42 |
COCCOc1ccc(C2=CCC(Cl)C(=O)N2C)c(Cl)c1 | unichem_smiles | 29 |
CCOC(=O)c1ccc(C)c2c1C(=O)N(c1ccccc1)C2=O | unichem_smiles | 33 |
CSc1nnc(CN(C2CC2)[C@@H](C)c2ccc3ccccc3c2)s1 | unichem_smiles | 31 |
C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1OC | unichem_smiles | 51 |
CCOC(=O)C1=c2nc(O)c(C#N)c3c2=C(OC3=N)C(C(=O)OCC)C1c1ccccc1 | unichem_smiles | 50 |
COc1ccc(C([NH+]=C(O)CN(Cc2ccccc2F)C2CC2)c2ccccc2)cc1 | unichem_smiles | 37 |
C[C@@]1(N)CCCC[C@H]1C(O)=NCc1cn(-c2ccccc2)nc1-c1ccncc1 | unichem_smiles | 40 |
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5ccccc5n4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O | unichem_smiles | 79 |
CC1N(C#CCCCC(=O)O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2C1(C)C | unichem_smiles | 43 |
Cc1nnc(S[C@H](C(O)=NC(C)(C)C)C(C)C)n1C1CCCCC1 | unichem_smiles | 37 |
OC(CCN1CCN(c2ccccc2)CC1)=NNc1ccccc1 | unichem_smiles | 23 |
Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)no1 | unichem_smiles | 43 |
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]2(O)[C@@H]2CC[C@@]3(O)C[C@@H](OC4OC(C)C5OCOC5C4=O)CC[C@]3(C)[C@@H]12 | unichem_smiles | 98 |
CCCCN(C)C(=O)C1CCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 | unichem_smiles | 43 |
C=C1C(N2CCCCC2)=NC(c2cccc(CC)c2)=CN1/C(C)=N\C | unichem_smiles | 33 |
CCCC1CC1NCC1CCCCCC1 | unichem_smiles | 10 |
C#CCSCCNS(=O)(=O)Cc1cccc2cccnc12 | unichem_smiles | 21 |
C#C[C@H]1C[C@H]2CC1C2C | unichem_smiles | 21 |
Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3cccc(C(=O)O)c3)CC2)n1 | unichem_smiles | 43 |
CC(C)CN=C(O)C1CSCN1C(=O)Cn1cnnc1O | unichem_smiles | 28 |
Cc1cccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](O)CN2CCOCC2)c1 | unichem_smiles | 36 |
O=C(O)NC(O)c1ccccc1 | unichem_smiles | 15 |
CCOC(=O)CSc1cc(NC)nc(CC)n1 | unichem_smiles | 19 |
CCCn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc([N+](=O)[O-])ccc21 | unichem_smiles | 47 |
C=C(C)C(=O)OCCN(C)CCCCCCCCCCCC | unichem_smiles | 20 |
Fc1cccc(Oc2ccc(Br)cc2F)n1 | unichem_smiles | 17 |
CCN(CC)c1ccc(C=NCC(O)c2ccccc2OC)c(O)c1 | unichem_smiles | 29 |
CC1CCC(CC(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 | unichem_smiles | 36 |
CCS(=O)(=O)n1c(N2Nc3[nH]c(C(F)(F)C(F)(F)F)nc3CC2C)cc2ccc(F)cc21 | unichem_smiles | 52 |
COc1ccc(CN2C(=O)N=C(O)C2O)cc1C(O)=NCc1ccc(Oc2ccc(C(C)C)cc2)cc1 | unichem_smiles | 49 |
CCCCC(CC)CNC(O)=NCCCCCC(=O)O | unichem_smiles | 18 |
N=C(O)Cc1cc(Cl)c2c(c1)CCCC2 | unichem_smiles | 22 |
CCCCCCCC[C@@H]1CO[C@@H](CCc2ccc(-c3ccc(CCC4CCC([C@@H]5OC[C@@H](CCCCCCCC)[C@H](C)O5)CC4)cc3)cc2)OC1C | unichem_smiles | 62 |
CN(C)CCCN=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | unichem_smiles | 59 |
Cc1ccc2[nH]c(=[NH+]CCc3ccc(F)cc3)[nH]c2c1 | unichem_smiles | 32 |
Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CNCC1 | unichem_smiles | 30 |
CCN(CC)CCCNC(=O)c1[nH]c(C=C2C(=O)Nc3ccccc32)cc1C | unichem_smiles | 38 |
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