text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
COc1cccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)N2CCCCC2)c1 | unichem_smiles | 44 |
CCn1cc[nH]c(=NCC(c2ccc(OC)cc2)N2CCOCC2)c1=O | unichem_smiles | 34 |
CCCCCC/C=C\CCCCCCCCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCCCCCC)CC(C)=O)[C@H](O)C[C@@H]1O | unichem_smiles | 61 |
OC(CNCCCS)=NCCS | unichem_smiles | 9 |
Cc1ccnc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 | unichem_smiles | 32 |
O=C(C1CCC(N=C(O)Cc2csc3nccn23)CC1)N1CCSCC1 | unichem_smiles | 34 |
COc1ccc(C=NN=C(O)c2cccnc2Cl)c(C)c1 | unichem_smiles | 26 |
CCn1nc(C(C)C)cc1C(=O)N1CCN(C(C)C(O)=NC2CCCC2)CC1 | unichem_smiles | 38 |
Cl.O=C1c2ccccc2C(=O)c2c(OCCN3CCCCC3)cccc21 | unichem_smiles | 30 |
CC1C(CSc2nncn2C)OC(c2cccc(NS(=O)(=O)c3ccccc3)c2)OC1c1ccc(CO)cc1 | unichem_smiles | 46 |
CCCCCCCOc1ccc(O)c(C#N)c1 | unichem_smiles | 17 |
CN.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN=c1[nH]c(-c2cccnc2)nc2ccc(-c3ccc(C)nc3)cc12.CN=c1[nH]c(-c2cccnc2)nc2ccc(Br)cc12.COc1ccc(O[B]O)cn1.Cl.Cl.Oc1nc(-c2cccnc2)nc2ccc(Br)cc12.[Pd+2] | unichem_smiles | 160 |
CCOc1ccc(N/C(C)=C2\C(=N)C(C3CCN(CC4CCOCC4)CC3)=NN=C2C)c(F)c1 | unichem_smiles | 49 |
Cc1nscc1C(O)=NCC(c1ccco1)N1CCCC1 | unichem_smiles | 23 |
Cc1cccc2nc(-c3cnc(-c4ccco4)nc3)[nH]c12 | unichem_smiles | 26 |
CCC1(C)c2ccccc2NC1C | unichem_smiles | 13 |
COC(=O)C(C)(NCCN=[N+]=[N-])C(F)(F)F | unichem_smiles | 28 |
COCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2ccccn2)c1C | unichem_smiles | 33 |
CCC(=O)CCCCCCc1ncc(-c2ccc3nc(N=C/C=C\N)ccc3c2)[nH]1 | unichem_smiles | 37 |
Cc1nc(Cl)ccc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 | unichem_smiles | 34 |
CC(CC(O)=NCC1(C2CC2)CC1)N=C(O)C1CCCC1 | unichem_smiles | 28 |
O=C(O)[C@H]1CC=CC[C@H]1[C@H](O)c1ccc(F)cc1 | unichem_smiles | 35 |
COc1cc(OC)c(OC)cc1/C=C1\SC(=Nc2ccc(N3CCOCC3)cc2)N(C)C1=O | unichem_smiles | 45 |
C[C@H](N=C1C[C@H]2CC[C@]1(C(O)(c1ccc3ccccc3c1)c1ccc3ccccc3c1)C2(C)C)c1ccc2ccccc2c1 | unichem_smiles | 64 |
CN(C)[C@H](CN=C(O)CC(C)(C)c1ccccc1)Cc1ccc2nc(O)oc2c1 | unichem_smiles | 39 |
CC1(C)[C@@H]2C[C@H]3OB(C(Cl)Cl)O[C@@]3(C)[C@H]1C2 | unichem_smiles | 41 |
Fc1c(Nc2ccccc2)ccc(Br)c1C(F)(F)F | unichem_smiles | 24 |
Cc1ccc(N=C(O)c2ccc(N)c(Cl)c2)cc1N(C)C | unichem_smiles | 31 |
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C | unichem_smiles | 84 |
CS(=O)(=O)Nc1ccc2oc(C(=O)NC(CCN3CCC(Cn4cncn4)(C4CCCCC4)CC3)Cc3ccc(Cl)cc3)cc(=O)c2c1 | unichem_smiles | 63 |
CC(C)(C)OC(=O)Nc1ccc(NC2CCCc3sc(Cl)cc32)cc1 | unichem_smiles | 30 |
Cc1ccc2c(c1)[C@@H](N)C[C@@H](C)O2 | unichem_smiles | 26 |
CCC(CCO)=c1ccc(=C(c2ccc(N(CC)CCO)cc2F)c2c(-c3ccccc3)n(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc23)cc1 | unichem_smiles | 77 |
Cc1cccc(Cl)c1N=C(O)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 | unichem_smiles | 38 |
CC(C)n1c(SCc2cn3ccccc3n2)nnc1-c1csc2c1CCCC2 | unichem_smiles | 32 |
COCCCN=C(O)NC1CCOC(C2CC2)C1 | unichem_smiles | 20 |
Fc1ccccc1-c1c(Cl)ccc2c1CCNCC2 | unichem_smiles | 20 |
O=C(O)C=Cc1cc(Cl)ccc1OCc1cccs1 | unichem_smiles | 23 |
Cc1ccc(OCCC(O)=Nc2ccc(C(=N)O)c(F)c2)c(C)c1 | unichem_smiles | 35 |
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C | unichem_smiles | 101 |
CC(C)(C)OC(=O)N1CCC(CCn2c(Sc3ccc4c(c3)OCO4)nc3c(N)ncnc32)CC1 | unichem_smiles | 45 |
O=C(N=c1cccn[nH]1)c1cnn2ccc(N3CCC(C(F)(F)F)C3)nc12 | unichem_smiles | 40 |
O=C(CCc1ccccc1)N(Cc1cccnc1)C1CC1 | unichem_smiles | 24 |
CNCC(O)COc1cc(-c2ccc(OC)cc2)nc2cc(OC)ccc12.Cl | unichem_smiles | 29 |
Cc1ccnc(-n2nccc2NC(O)=NCc2ccnc(N(C)C)c2)c1 | unichem_smiles | 32 |
CC(NC(=O)C(O)=Nc1ccc2c(c1)CC(=O)N2)c1cc2ccccc2o1 | unichem_smiles | 38 |
CCS(=O)(=O)c1ccccc1NCc1cnn(CCO)c1 | unichem_smiles | 25 |
Cc1cc(N=C(O)COC(=O)/C(=C\c2cccs2)c2cccs2)c([N+](=O)[O-])cc1C | unichem_smiles | 48 |
COc1ccc(-n2ccnc2C(F)(F)F)cc1Br.COc1ccc(N=C(O)C(F)(F)F)cc1Br | unichem_smiles | 44 |
CCOC(=O)c1cc(C(=O)C[N+]23CCC(CC2)C(C(=O)OC(c2cccc(F)c2)c2cccc(F)c2)C3)on1.[Br-] | unichem_smiles | 62 |
COC(=O)C/C(=N\N=C(O)c1ccccc1O)C(=O)OC | unichem_smiles | 32 |
COC(=O)C[C@@H]1CCCCN1C(=O)Cc1ccc(O)cc1 | unichem_smiles | 30 |
CNc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1 | unichem_smiles | 25 |
CC(c1nnc(-c2ccc(Cl)c(Cl)c2)o1)n1ccc(C(F)(F)F)n1 | unichem_smiles | 37 |
OC[C@H]1OC[C@](O)(n2cnc3c(O)nccc32)C1F | unichem_smiles | 30 |
O=c1c2ccccc2nc(O)n1N=Cc1ccccc1Sc1ccc(Cl)cc1 | unichem_smiles | 31 |
COc1ccc(NC(O)=NCCNS(=O)(=O)c2sccc2-c2ccccc2Oc2ccc(O)c(O)c2)cc1 | unichem_smiles | 46 |
Nc1sc2c(c1Cl)CCC2 | unichem_smiles | 13 |
CC(C)CN[C@](C)(N)NCC(F)F | unichem_smiles | 19 |
Cc1cccc(S(=O)(=O)NCCCc2ccccn2)c1F | unichem_smiles | 24 |
COC(=O)[C@@H]1CNC[C@H]1c1ccc(Br)c(N)c1 | unichem_smiles | 31 |
CC1(c2ccccc2[N+](=O)[O-])Cc2cc3c(cc2C=NN1C(=O)CN)OCO3 | unichem_smiles | 41 |
Cc1nc(NC2CCC(CN=C(O)c3ccc(OC(F)(F)F)cc3OC(=O)C(F)(F)F)CC2)cc(N(C)C)n1 | unichem_smiles | 55 |
CC(C)Cn1ncc(CNC(C)C)c1C1CC1 | unichem_smiles | 23 |
Cc1c(N2CCN[C@@H](CO)C2)c(=O)n(CC(N=C(O)OC(C)(C)C)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F | unichem_smiles | 71 |
O=S(=O)(CCCO)c1ccc(C(F)(F)F)cn1 | unichem_smiles | 24 |
Cc1ccc(-c2cc(C(=O)OCCCn3c(=O)c4c(ncn4C)n(C)c3=O)n[nH]2)cc1 | unichem_smiles | 50 |
CNC(=O)c1ccc(CN=C(O)c2ccccc2NC(=O)c2cccs2)cc1 | unichem_smiles | 34 |
CCCNc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-] | unichem_smiles | 33 |
CO[C]1C=C(OC)C=CC1=CO | unichem_smiles | 17 |
COc1ccc(F)c(N[C@@H](C)C(C)C)c1 | unichem_smiles | 25 |
C.C=C.CCOC(=O)C1(C(=O)OCC)CC=CC1 | unichem_smiles | 27 |
CCS(=O)(=O)CC(O)=NCc1ccccc1CN1CCCC1CO | unichem_smiles | 24 |
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCOCC1 | unichem_smiles | 34 |
CC(=O)[C@H]1CC(O)[C@H]2[C@@H]3CCC4CC(=O)CC[C@]4(C)[C@H]3CC(O)[C@]12C | unichem_smiles | 55 |
Cc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)c(Cl)cc1F | unichem_smiles | 32 |
COc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1OCc1ccccc1 | unichem_smiles | 32 |
CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(O)c4ccccc4n3)CS[C@H]12)c1csc(=N)[nH]1 | unichem_smiles | 70 |
COC[C@]12CNCC[C@@]1(c1ccc(Cl)c(Cl)c1)C2.O=P(O)(O)O | unichem_smiles | 40 |
C[B]c1ccc2c(C(C)=O)cn(CCCN3CCC(OCCC=N)CC3)c2c1 | unichem_smiles | 35 |
CNCCc1ccc2sccc2c1 | unichem_smiles | 11 |
CCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN=C([O-])CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC | unichem_smiles | 80 |
CC(N=C(O)C(C)N1CCc2c(O)nc(O)nc2C1)c1ccc2ccccc2c1 | unichem_smiles | 39 |
Nc1cccc(CN=C(O)/C(=C\c2ccccc2)N=C(O)c2ccccc2)c1 | unichem_smiles | 36 |
CC(C)N=C(O)[C@H](C)N1CCN(C(O)=NCCc2nc(C(C)C)no2)CC1 | unichem_smiles | 42 |
N=C(O)NC(CC(=O)N1CCCC1c1cccs1)c1ccc(Cl)cc1 | unichem_smiles | 31 |
CC(CN)(N=C(O)c1cccc(C(F)(F)F)c1)C1CC1.Cl | unichem_smiles | 31 |
CN(C)c1cccc(-c2ccc(C(=O)N3CCCC[C@@H]3CN)cc2)c1 | unichem_smiles | 33 |
CCC1CCNC(CN(C)C2CCCCC2C)C1 | unichem_smiles | 18 |
Fc1ccc(-c2[nH]nc(C3=C[C@@H]4CCCN4CC3)c2-c2ccncc2)cc1F | unichem_smiles | 41 |
CCOc1ccccc1OCCO[C@@H](C)CN | unichem_smiles | 18 |
O=C(Cc1ccc(F)cc1)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 | unichem_smiles | 36 |
CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)nc(C#N)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.C[C@@H](Nc1nc(C#N)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1.C[C@@H](Nc1nc(C#N)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[... | unichem_smiles | 273 |
Cc1noc(C(C)N2CCN(C(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1 | unichem_smiles | 41 |
COC(=[OH+])c1ccc(S(=O)(=O)[N-]c2ccc([NH+]3CC[N-]C3=O)cc2)cc1 | unichem_smiles | 45 |
CC1(C)c2cccc([O-])c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 | unichem_smiles | 35 |
OC(C[C@@H]1CCCO1)=NCCN=C(O)C1CC1 | unichem_smiles | 25 |
Cc1[nH]nc2c1C(C)(c1cccc(C(=N)O)c1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O | unichem_smiles | 211 |
CC(C)CN=C(O)/C(C#N)=C\Nc1ccc2c[nH]nc2c1 | unichem_smiles | 32 |
CC(C)CN=C(O)CN1CCCC1c1cnn(C)c1 | unichem_smiles | 23 |
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