text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
Cc1cc(C(O)=Nc2ccc(N(C)C)cc2)c2cnn(C)c2n1 | unichem_smiles | 34 |
COC(=O)CCCC[C@@H]1SC[C@@H]2N=C(O)N(C(=O)OCCCCN)[C@@H]21 | unichem_smiles | 42 |
Cc1ccc(Oc2[nH+]cccc2N=C(O)CN2CCN(c3ccc([N+](=O)[O-])c[nH+]3)CC2)c2c1CCC2 | unichem_smiles | 56 |
COc1ccc(-c2nc(CN3CCCCC3CCO)cs2)c(OC)c1 | unichem_smiles | 26 |
C=C/C=C(/CN(C)Cc1ccc(CN(C)Cc2ccc[nH]2)[nH]1)NCN(C)Cc1ccc(CN(C)C)[nH]1 | unichem_smiles | 56 |
CC(N=C(O)[C@@H]1C[C@@H]1C(=O)O)c1nncn1C | unichem_smiles | 34 |
CC(C)(C)OC(=O)C(N)COC(=O)CC(=O)O | unichem_smiles | 27 |
Cn1[nH]cnc1=NC(=O)c1cc(N2CCCC2=O)ccc1Cl | unichem_smiles | 30 |
COc1cc(C=C2SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 | unichem_smiles | 51 |
N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 | unichem_smiles | 35 |
Cc1cc(C=C(F)c2ccc(OC(F)(F)F)cc2)nn1Cc1ccccc1 | unichem_smiles | 34 |
COc1ccc2ccccc2c1C(=O)CN1C[C@@H](C)C[C@H](C)C1 | unichem_smiles | 35 |
COc1cc(C)c(C(C)N=C(O)C(C)Oc2ccc(F)c(F)c2)cc1OC | unichem_smiles | 40 |
CCCc1cc2c(C)nc3c(OC)c(C)nn3c2n1CCC | unichem_smiles | 26 |
CC(C#N)SCC(=O)N(C)C | unichem_smiles | 17 |
CC1(C(O)c2cc(Br)cc3cncn23)CCCCC1 | unichem_smiles | 23 |
Cc1cccc(C(O)=Nc2ccc(N=C(O)C(C)N=C(O)C3CCN(C(C)C(=O)Nc4ccc(C(=O)NC5CCCCC5C)cc4C)CC3)cc2Cl)c1 | unichem_smiles | 74 |
C=C/C=C(\C=N/CN(C(=O)c1cncc(C(=O)O)c1)C1CC1)CSc1nc2c(=O)n(C(C)CC)c(=O)n(CCC)c2[nH]1.CCCC | unichem_smiles | 75 |
Cc1ccc(NC(=O)CNc2ccc(C(=O)Nc3ccccc3)cc2)cc1 | unichem_smiles | 32 |
Cc1c(N2CCC3=C(C2)C(=O)CCS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 | unichem_smiles | 53 |
Cc1nn(CN2CCSC(C)C2)c(=S)n1CC(=O)N(C)C | unichem_smiles | 32 |
O=C(O)N1CCCC(O)(CS)C1 | unichem_smiles | 16 |
COc1cc(OC)cc(-c2ccc3c(N=C(O)c4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4)n[nH]c3n2)c1 | unichem_smiles | 61 |
Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C(O)c1cccnc1 | unichem_smiles | 30 |
Cc1cc2c(cc1C)OC(C(=O)N1CCSc3ccncc31)C2 | unichem_smiles | 30 |
Cc1noc(C2CCCN(C(O)=NCc3cccc(CN(C)C)c3)C2)n1 | unichem_smiles | 34 |
CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1 | unichem_smiles | 41 |
COc1cccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)o2)c1 | unichem_smiles | 42 |
CCc1cc(O)cc2ccc(COc3cc(CCC(=O)C[C@@H](O)C[C@@H]4C=C(O)C=C[C@H]4CCCCc4ccccc4)ccc3OC)cc12 | unichem_smiles | 64 |
CSc1ncc([C@H](CC(=O)O)C(C)C)cn1 | unichem_smiles | 25 |
Cc1cnn(CCNC(=O)c2ccn(-c3ccc(F)cc3F)n2)c1 | unichem_smiles | 32 |
CCOC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 | unichem_smiles | 34 |
CC(C)n1cc([C@@H]2CN(CCc3ccc4c(c3)CCO4)C[C@H]2CO)cn1 | unichem_smiles | 40 |
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1N=C(O)CCc1ccc(C(C)(C)C)cc1 | unichem_smiles | 43 |
Cc1ccccc1CN=C(O)CS(=O)(=O)c1n[nH]c(C2CC2)n1 | unichem_smiles | 36 |
CN(c1ccccc1)c1ccccc1C(O)=NCCN1CCC(N(C)C)CC1 | unichem_smiles | 31 |
CCOCCCCNCCN(C)Cc1ccccc1 | unichem_smiles | 15 |
Cc1c2ccccc2cc2ccc3c(c12)C1SC1C=C3 | unichem_smiles | 25 |
C#CC1Oc2ccccc2OCC1(C)C | unichem_smiles | 17 |
CCN=c1cc[nH]cc1S(=O)(=O)Nc1nc(C)cc(C)n1 | unichem_smiles | 33 |
CCc1nccn1C1CCCN(C(=O)C2COc3cc(C)c(C)cc32)C1 | unichem_smiles | 35 |
O=C1OC(c2ccccc2F)=CC1(C(c1ccc(F)cc1)c1ccc(F)cc1)C(F)(F)F | unichem_smiles | 43 |
COCc1cccc(CN=C(O)/C=C\c2ccc(OC(F)F)cc2OC(F)F)c1 | unichem_smiles | 36 |
Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 | unichem_smiles | 49 |
CCOC(=O)C(C)CN1CCCCCCC1 | unichem_smiles | 15 |
CCc1ccc(C(COC)N=C(O)NN=C(O)c2cc3ccccc3o2)o1 | unichem_smiles | 34 |
CC(C)NCC1(c2ccc(F)cc2)CC2(CCCC2)C1 | unichem_smiles | 25 |
COC(=O)c1sc(=NC2CCCOCC2)[nH]c1Cl | unichem_smiles | 24 |
CCN(CC)c1nc(C)ccc1C(=O)OCc1ccccc1 | unichem_smiles | 24 |
CC(C)c1cccc(C(C)C)c1N=C(O)N(Cc1cccc(Cl)c1)C1CCC(c2ccccc2)CC1 | unichem_smiles | 46 |
Cc1cc(-n2c(-c3ccc(-n4ccnc4)cc3)cc3sc(C(=O)O)cc32)ccc1C(N)=O | unichem_smiles | 43 |
C[C@@H](O)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](/N=C(/c1ccccc1)c1ccccc1O)[C@@H](C)O)C(=N)O | unichem_smiles | 80 |
COc1cc([C@@H]2C(S(C)(=O)=O)=C(O)C(=O)N2CCNCCO)ccc1O | unichem_smiles | 40 |
C[C@@H](CC#[NH+])NC1CCN(CC2CCCC2)CC1 | unichem_smiles | 24 |
CC(C)CCN1CCN(C2(CNc3cccc(C#N)n3)CCOC(C)(C)C2)CC1 | unichem_smiles | 37 |
C1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)=CCC1 | unichem_smiles | 49 |
C[NH+]=C(O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 | unichem_smiles | 31 |
O=C(OCC(O)=Nc1ccccc1Sc1ccccc1)c1ccco1 | unichem_smiles | 26 |
CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)C(Oc3c(Cl)c(Cl)c(C(=C4[C](Cl)C(Cl)=CC(Cl)=C4Cl)c4c(Cl)c(Cl)cc(Cl)c4Cl)c(Cl)c3Cl)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | unichem_smiles | 153 |
O=Cc1ccc2[nH]c(C(=O)N3CCOCC3)cc2n1 | unichem_smiles | 29 |
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)c1ccc(OC(C)=O)cc1)N1N=CC=C[C@H]21 | unichem_smiles | 73 |
CC[C@H]1C[C@@H](C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)ccc2N1C(=O)O | unichem_smiles | 65 |
O=C(O)[C@@H]1CCCC[C@H]1C(O)=Nc1ccc2c(c1)OCCO2 | unichem_smiles | 36 |
COc1cccc(C2OC(c3ccc(OCCCO)cc3)=NC2(CCS(=O)(=O)c2ccccc2)C(O)=NCCSCc2ccc(F)cc2)c1 | unichem_smiles | 56 |
COc1c(Cl)cc(Cl)cc1/C(C)=C/CCN | unichem_smiles | 22 |
CCOC1(C(O)c2ccc(OC)cc2F)CCCCCC1 | unichem_smiles | 21 |
Cc1noc(C)c1Cn1ccc(=N[C@H]2OC2Cc2ccco2)[nH]1 | unichem_smiles | 36 |
Cc1sc2nc(COC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)nc(O)c2c1C | unichem_smiles | 41 |
CSCCCCN=C(O)c1c(-c2c(Cl)cccc2Cl)noc1C | unichem_smiles | 26 |
CN(C)CCO.[CH2-]CCC.[Li+].[Li] | unichem_smiles | 18 |
COc1c(Cl)cc(CC(C(=O)O)c2cccc(O)c2)cc1Cl | unichem_smiles | 30 |
Cc1ccc(N(CCC#N)C(=O)CN(C)CC2CCOC2)cc1C | unichem_smiles | 29 |
COCc1nc(COc2ccc(C)cc2C)sc1CO | unichem_smiles | 20 |
Cc1nnc(C2Cc3ccccc3CN2C(=O)CCCOC(C)C)o1 | unichem_smiles | 30 |
CN=C(O)C1CCCCN1Cc1ccc(OCCCn2ccnc2)cc1 | unichem_smiles | 26 |
CCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC | unichem_smiles | 50 |
CCC(=O)CCCCC[C@H](N=C(O)CCc1c[nH]c2ccccc12)C(O)=NCc1csc(-c2ccccc2)n1 | unichem_smiles | 50 |
C[N+](C)(Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3[n-]2)cc1)CC1CC2CCC1C2.Cl | unichem_smiles | 46 |
CCCCCCCCC(OCC(C)C)C(C)(C)C | unichem_smiles | 18 |
CCc1ccc(O)c(N=C(O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 | unichem_smiles | 41 |
C[C@@]12CCC[C@H]1[C@@H]1[C@@H](O)[C@@H](O)C3=CCCC[C@]3(C)[C@H]1CC2 | unichem_smiles | 51 |
OC(=NCc1ccc(Cl)cc1F)N1CCn2nc(C(F)(F)F)cc2C1 | unichem_smiles | 33 |
Cc1cc(C)c(C(=O)Nc2cc(C(=N)O)ccc2Cl)[nH]1 | unichem_smiles | 34 |
CC(C)(C)OC(=O)C(F)=CC1CCCCC1 | unichem_smiles | 20 |
c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5oc6cc7ccccc7cc6c5c4)ccc2-3)cc1 | unichem_smiles | 56 |
NC(Cc1c[nH]c2ccccc12)C(O)=NC1c2ccccc2CC1O | unichem_smiles | 30 |
Cc1nccn1CC1CCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 | unichem_smiles | 35 |
CC(C)(C)N=C(O)[C@@H]1CSCN1C(=O)Cc1csc(-c2cccnc2)n1 | unichem_smiles | 40 |
CC(C)N(C)c1ccc(N=C(O)N(C)CCC#N)cc1F | unichem_smiles | 29 |
CC(CC(O)=NCC1CC(=O)N(CCc2ccccc2)C1)N=C(O)C1CCCC1 | unichem_smiles | 36 |
COC(=O)[C@H]1CC/C=C/CCCCN(C)C(=O)[C@@H]2CC[C@@H](O)C[C@H]2C(O)=N1 | unichem_smiles | 53 |
Cc1cc(O)c(CN(CCC(=N)O)Cc2ccccc2)cc1C | unichem_smiles | 28 |
NCC[C@H](O)C(O)=N[C@@H]1C[C@H](N)[C@H](O[C@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O | unichem_smiles | 132 |
CCCCN(CC)CC1=NC2C(C(O)=NC(=O)N2C)N1CCOCC | unichem_smiles | 30 |
Cc1ccccc1C1CC(NCCNC(=N)O)C1 | unichem_smiles | 21 |
CNc1ccc(S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)C=C2)cc1 | unichem_smiles | 46 |
Cc1c(N)cccc1Oc1cnccc1C#N | unichem_smiles | 18 |
Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 | unichem_smiles | 42 |
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1=O | unichem_smiles | 44 |
COc1ccc(N(C(C)c2ccccc2OC)S(C)(=O)=O)cc1 | unichem_smiles | 29 |
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