text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
Cc1cccc(N2C(=O)[NH+]=C(O)[C@@H](/C=N/C[C@H]3CCCO3)C2=O)c1C | unichem_smiles | 47 |
CCOc1ccccc1-c1[nH+]c(CN2CCC(O)(c3ccccc3)C3CCCCC32)c(C)o1 | unichem_smiles | 41 |
COc1ccccc1[C@H](C[NH+]=C(O)c1cc(C)ccc1O)N1CCCC1 | unichem_smiles | 34 |
C[C@H]1[C@@H]2CCCC2NCC2COCCN21 | unichem_smiles | 22 |
CN=C(NCC(C)Oc1ccc(Cl)cc1)NC(C)Cc1c(C)nn(C)c1C | unichem_smiles | 37 |
OC(Cn1nc2ccccc2n1)=NCC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 | unichem_smiles | 34 |
Cc1cccc(Oc2c(N)cc(N)c(Cl)c2F)c1C | unichem_smiles | 27 |
CN1CCCc2cc(C=C(C#N)c3nc4ccccc4n3C)ccc21 | unichem_smiles | 28 |
Cc1ccc(CCN=C(O)Cc2ccc(-n3cccn3)cc2)c(C)c1 | unichem_smiles | 32 |
CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](OC(=O)c3ccccc3)CO[C@@H]21 | unichem_smiles | 43 |
CCN1CCN(CCN=C(O)c2cc(Cl)c3c(c2)OCO3)CC1 | unichem_smiles | 32 |
Cc1sc2c(C(=N)O)cccc2c1-c1nc(NCc2cccc(B(O)O)c2)cc(N(C)C)n1 | unichem_smiles | 47 |
CC(C(=O)c1ccc(Br)cc1)[n+]1csc2c1CCCC2 | unichem_smiles | 27 |
COc1ccc(CCC(O)=N[C@]2(C)CCS(=O)(=O)C2)cc1F | unichem_smiles | 33 |
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 | unichem_smiles | 60 |
OC1=NCCC1N1CCOC(c2ccc(F)cc2)C1 | unichem_smiles | 22 |
O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(N=C(O)CCc2ccccc2)CC1 | unichem_smiles | 38 |
CC(NC(=O)c1ccc(C(F)(F)F)cc1)c1cccnc1 | unichem_smiles | 27 |
CC(C)[C@H](N=C(O)CCCCCN1C(=O)C=CC1=O)C(O)=N[C@@H](CCCNC(=N)O)C(=O)Nc1ccc(COC(O)=NCCOCCOCCOCCOC(=O)O)cc1 | unichem_smiles | 79 |
CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1c1cccc(F)c1 | unichem_smiles | 36 |
Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1.O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 | unichem_smiles | 61 |
CC(C)(C)[Si]([NH-])(C(C)(C)C)C(C)(C)C.CC(C)(C)[Si]([NH-])(C(C)(C)C)C(C)(C)C.CC(C)(C)[Si]([N])(C(C)(C)C)C(C)(C)C.[V+2].[c]1ccccc1 | unichem_smiles | 96 |
Cc1ccc(NC(=O)CS[C@H](C)C(O)=NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 | unichem_smiles | 44 |
CCc1csc(-c2sccc2C)n1 | unichem_smiles | 15 |
CCCCOC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@@H](CCCC)C[C@@H]1C#N | unichem_smiles | 38 |
Cc1[nH+]nc(CN(Cc2ccco2)Cc2ccc(C)s2)o1 | unichem_smiles | 31 |
Cc1cccnc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 | unichem_smiles | 37 |
C=CC(=C(C)C)c1ccccc1C.CCc1ccccc1N=C(C)c1ccccc1.Cc1ccc(-c2cc(-c3cc4c5c(c6ccccc6c4c4ccccc34)C=CCC5)cc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c2)cc1 | unichem_smiles | 100 |
Cc1ccc(C2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CCOCC2)cc1 | unichem_smiles | 39 |
N#Cc1cccc(OCCCNc2ccc(-n3cncn3)cc2)c1 | unichem_smiles | 26 |
CC[C@@H](C)C([O-])=NS(=O)(=O)c1ccccc1C | unichem_smiles | 28 |
COC(=O)C1=C(Nc2ccc(Oc3ccc(C)c(C)c3)cc2)C(=O)N(CCO)C1 | unichem_smiles | 45 |
COC=O.[B+]=c1cc2c(cc1F)=NN(C1CCC1)[CH-]2 | unichem_smiles | 29 |
C[C@H]1Cc2cc(S(=O)(=O)N[C@@]3(C)CCOC3)ccc2O1 | unichem_smiles | 37 |
C[C@H](CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc2c(c1)N=C(O)CO2 | unichem_smiles | 45 |
C=C(C)C(=O)OC.C=CC(=O)O.C=CC(O)=NCO | unichem_smiles | 30 |
CC(C)N(Cc1ccccc1)C(=O)CN1CCN(C)CC12CCCCC2 | unichem_smiles | 30 |
CCCCCCCCC(CCCCC1CC(C)C1)C1CC2CCCCC2C1 | unichem_smiles | 23 |
N#Cc1ccc(S(=O)(=O)CCN2C(=O)CC3(CCc4ccccc43)C2=O)cc1 | unichem_smiles | 40 |
Clc1ccc(C2=C[C@@H](c3ccco3)N3NC=NC3=N2)c(Cl)c1 | unichem_smiles | 36 |
Cc1ccc(Cl)cc1N=C(O)c1cccc(C(O)=Nc2ccccc2C#N)c1 | unichem_smiles | 35 |
CC1C2C3CC4C5C6C7C(C)C38C23C1(C)C1(C)C2(C)C9(C)C(C)(C)C%10(C)C4(C)C59C64C78C13C%1024 | unichem_smiles | 70 |
Cc1nc2nc(CN)nn2c(C)c1CCC(O)=Nc1cccc(C(F)(F)F)c1.Cl | unichem_smiles | 38 |
COc1cccc(C(O)CNC(O)=NCc2ccc(Cl)c(C)c2)c1 | unichem_smiles | 30 |
C[C@H]1C[C@@H]1C([O-])=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 | unichem_smiles | 43 |
C[C@@H]1CC[C@@H](Oc2cc(C(C)(C)O)ccn2)CN1C(=O)c1ccccc1-n1nccn1 | unichem_smiles | 49 |
CCCCN(C(=O)C(C)N=C(O)OC(C)(C)C)C(C(O)=NC(C)CCC)c1ccc(C)cc1C | unichem_smiles | 47 |
C=C1C(NC(=O)Cn2nc(C(F)(F)F)c3c2OCCC3)=CC(C)=CN1C(CC)=C(C)C | unichem_smiles | 47 |
Cc1cc(N)cc2cc(-c3ccccc3)ccc12 | unichem_smiles | 19 |
CC(C)CC(CN=C(O)C1CCCN1)N(C)C | unichem_smiles | 23 |
C[C@@H](N=C(O)[C@H](CC(=O)N(C)C)N=C(O)[C@@H](N=C(O)CN(C)C)C(C)(C)C)C(=O)C(F)(F)F | unichem_smiles | 69 |
CN1Cc2cnc3ccc(-c4cnc(-n5cccn5)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O | unichem_smiles | 58 |
CCOc1ccc(CN(C)C(=NC)NCCNC(C)(C)C)cc1 | unichem_smiles | 27 |
Fc1cccc(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl | unichem_smiles | 30 |
Cc1cc(C)c(C(O)=NCCc2nc(C(F)(F)F)cs2)c(Cl)n1 | unichem_smiles | 36 |
CC(C)(C)OC(=O)CCCn1cnc(I)c1I.CC(C)(C)OC(=O)N1CCn2cnc(I)c21.Ic1nc[nH]c1I | unichem_smiles | 58 |
CC(NCC(=O)N(C)Cc1ccccc1)c1cn(-c2ccccc2)nn1 | unichem_smiles | 31 |
CC1(C)CN(C(=O)c2ccc(CN3C(=O)CN=C3O)cc2)[C@@H]2COC[C@@H]21 | unichem_smiles | 45 |
CN(Cc1ccc(Cl)nc1)C(=O)c1cc(Br)cn1C | unichem_smiles | 26 |
O=C(CCCc1ccccc1)Cc1cc(F)cc(Br)c1 | unichem_smiles | 24 |
COCCOCCCC(O)=Nc1cccc(-c2nnnn2C)c1 | unichem_smiles | 21 |
C[C@H](C(O)=Nc1sc2c(c1C#N)CCCC2)n1c(SCCc2ccccc2)n[nH]c1=N | unichem_smiles | 47 |
Cn1ncc(C(O)=Nn2cnc3ccccc32)c1C(F)F | unichem_smiles | 27 |
Cc1ccc(Nc2cncc3c2C(=O)N(C[C@H](O)CO)CC3)c(F)c1 | unichem_smiles | 39 |
O=C(CC(=S)CC1(c2cc(N=C(O)C(F)(F)F)ccc2F)COCC1CO)c1ccccc1 | unichem_smiles | 44 |
O=[N+]([O-])c1cccc(-n2nc3c(c2Cl)CCCC3)c1 | unichem_smiles | 28 |
Oc1cc(C2NCCc3c2ccc(F)c3O)ccn1 | unichem_smiles | 24 |
Nc1c(B(O)O)cc(O)c2sccc12 | unichem_smiles | 20 |
CCOc1ccc(OCCN=C(O)CN2C(=O)C3(CCCCC3)N=C2O)cc1 | unichem_smiles | 36 |
COc1cc(C)ccc1CN=C(O)Nc1ccc(OC)c(OC(C)C)c1 | unichem_smiles | 32 |
COC(=O)CC(C(O)=[NH+]c1ccccc1)C(O)(P=O)C(Cc1ccccc1)N=C(O)OC(C)(C)C | unichem_smiles | 52 |
Cc1ccc(C)c2c(O)c(N=[N+]=[N-])c(=O)oc12 | unichem_smiles | 31 |
C=C(C(=O)Oc1ccc(C(=O)OC)cc1)C(=O)Oc1ccc(CI)cc1C | unichem_smiles | 39 |
COCc1ncc(N=C(O)N2CCOC(c3cccc(OC(F)F)c3)C2)c(C)n1 | unichem_smiles | 40 |
COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)C(O)=NCC3)cc1 | unichem_smiles | 36 |
CC(CCCN=C(O)c1c(F)cccc1-n1nccn1)CCN=c1ncc(Cl)c[nH]1 | unichem_smiles | 41 |
C=C(C1CCCCC1C)N(CCCN(CCN=CO)c1cc(OC)ncn1)/N=C(\C)c1ccc(F)c(C)c1 | unichem_smiles | 49 |
COCCCNC(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1 | unichem_smiles | 32 |
c1ccc(Sc2ccc3ncccc3c2)nc1 | unichem_smiles | 16 |
C=CCCN=C(O)[C@H](CC(C)C)NC(=O)O | unichem_smiles | 25 |
OC(CCC1N=C(O)c2ccccc2N=C1O)=Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 | unichem_smiles | 47 |
COc1ccc(C(N)c2cccc(C)c2F)cc1OC | unichem_smiles | 22 |
CN(CC(O)=Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(C2CCCCC2)o1 | unichem_smiles | 39 |
CCC(C)(CN=C(O)c1cnc(C)cn1)C(=O)O | unichem_smiles | 26 |
CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N(CC[C@@H](N)CF)C(=O)N1CCOCC1 | unichem_smiles | 56 |
CC(O)CCN=C(O)NCc1ccc(C(=O)N(C)C)cc1 | unichem_smiles | 29 |
CCOc1cccc([C@H](C)N=C(O)N2CCCN(C(=O)C(C)C)CC2)c1 | unichem_smiles | 39 |
OC(=Nc1ccccc1C(O)=NC[C@@H]1CCCO1)c1cccc(I)c1 | unichem_smiles | 32 |
OC[C@H](N=c1cncc(-c2ccc3n[nH]cc3c2)[nH]1)c1ccccc1 | unichem_smiles | 37 |
COc1cccc(C=Cc2ccncc2)c1OC | unichem_smiles | 18 |
Cc1nnsc1C(O)=NC[C@@H]1CC[C@@H](O)C1 | unichem_smiles | 27 |
COCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2ccccn2)c1C | unichem_smiles | 33 |
Cn1c2c(c3ccc(=Nc4ccc(F)c(F)c4)[nH]c31)C(O)=NCC2 | unichem_smiles | 39 |
CCOCCN=C(O)[C@@H]1CC(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](Cc2ccccc2)C(O)=NCCCOc2ccccc2C(O)=N1 | unichem_smiles | 68 |
O=C(CCc1cccc(F)c1F)OCc1nc(Cc2ccc(F)cc2)no1 | unichem_smiles | 32 |
Cc1ccc(C(F)(F)F)c2c1[C@H](N)CC2 | unichem_smiles | 26 |
CC[C@H](F)CN1CC[C@H](NC(=N)O)C1 | unichem_smiles | 25 |
CCOC(=O)C1CCC(c2cccc(C3CCC(OC(=O)CC)N3)c2)N1 | unichem_smiles | 33 |
Cc1cccc(C(=O)N2CCCC2)c1N=C(O)C(C)N=C(O)C1CCN(C(C)C(O)=Nc2ccc(Cl)c(C(O)=NCC(C)C)c2)CC1 | unichem_smiles | 71 |
COCc1cc(NN)c2cc(F)cc(F)c2n1 | unichem_smiles | 22 |
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