smiles
stringlengths 15
56
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|---|
CCOC(=O)N1CCC(OC(=O)c2cn(C)nc2C(F)(F)F)CC1 |
CCOC(=O)N1CCC(OC(=O)c2cc(CC)[nH]n2)CC1 |
CCOC(=O)N1CCC(OC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 |
CCOC(=O)N1CCC(OC(=O)c2cnn(C)c2-n2cccc2)CC1 |
CCOC(=O)N1CCC(OC(=O)c2c(C)oc(C)c2C)CC1 |
CCOC(=O)N1CCC(OC(=O)c2n[nH]c3c2CCCC3)CC1 |
CCOC(=O)N1CCC(OC(=O)c2n[nH]c3ccc(C)cc23)CC1 |
Cc1ccc2nc(COC(=O)c3cc(C(N)=O)cs3)cc(=O)n2c1 |
Cc1ccc2[nH]nc(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)c2c1 |
CCNC(=O)NC1CCC(OC(=O)Cn2ccc3ccccc32)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cnn(C(C)(C)C)c2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cc(CC)[nH]n2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 |
CCNC(=O)NC1CCC(OC(=O)CCc2cccc(F)c2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cnn(C)c2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2ccc(OC)c(F)c2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cc(C)c(C)s2)CC1 |
CCNC(=O)NC1CCC(OC(=O)CC(C)c2ccccc2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2oc3ccccc3c2C)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cc(C)oc2C)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2ccc(COC)o2)CC1 |
CCNC(=O)NC1CCC(OC(=O)CCc2ccc(C#N)cc2)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2n[nH]c3ccc(C)cc23)CC1 |
CCNC(=O)NC1CCC(OC(=O)c2cccc(C)n2)CC1 |
COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(C)n3)n2)cc1 |
N#Cc1ccc(-c2csc(C(C#N)C(=O)c3cccnc3)n2)cc1 |
Cc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1 |
CCCOc1ccc(COC(=O)c2cnn(C)c2)cc1 |
CCCOc1ccc(COC(=O)c2cccnc2)cc1 |
CCCOc1ccc(COC(=O)c2cnc3ccccn3c2=O)cc1 |
CCCOc1ccc(COC(=O)c2cccc(C)n2)cc1 |
Cn1cc(C(=O)OCCCOc2ccccc2Cl)cn1 |
COCCNc1cc(Cl)cc(Cl)c1OC |
CC(=O)c1cn(C)c2c(Br)cccc12 |
COC(=O)CCCc1cc(OC)c(C)cc1OC |
COC(=O)CCCc1ccc(OC)c(C)c1OC |
COc1ccc(Cl)c2[nH]c(C)c(CC(N)=O)c12 |
COC(=O)CCCc1cc(Cl)c(C)cc1OC |
CCOc1ccc(CCCC(=O)OC)cc1Cl |
COc1c(C)cc(Cl)cc1NCC(=O)N(C)C |
CC1(C)C(=O)Nc2ccc(C(=O)C3CCCC3)cc21 |
CN1C(=O)C(C)(C)c2cc(C(=O)C3CCC3)ccc21 |
COC(=O)CCCc1ccc2nc(C(C)C)[nH]c2c1 |
COC(=O)CCCc1ccc2c(c1)ncn2C(C)C |
CCn1c(C)nc2cc(CCCC(=O)OC)ccc21 |
COC(=O)CCCc1ccc2c(c1)C(C)(C)C(=O)N2 |
CCc1ccc(OC)c(NCCN2CCOCC2)c1 |
COc1cc(OC)c(C(=O)CC(C)(C)C)c(OC)c1 |
CCS(=O)(=O)c1ccc(CCCC(=O)OC)cc1 |
COC(=O)CCCc1ccc2c(c1)nc(C)n2C1CC1 |
COC(=O)CCCc1ccc2c(c1)nc(C1CC1)n2C |
Cc1cccc(C(=O)OCCCOc2ccccc2Cl)n1 |
Cc1sc(=O)n(CC(=O)OC(C)C2CCCCC2)c1C |
CC(OC(=O)c1cc(C(N)=O)cs1)C1CCCCC1 |
CC(OC(=O)c1cnc2ccccn2c1=O)C1CCCCC1 |
CC(OC(=O)CN1CCCS1(=O)=O)C1CCCCC1 |
CC(OC(=O)Cn1nc2ccccn2c1=O)C1CCCCC1 |
CC(NC(=O)c1ccco1)C(=O)OC(C)C1CCCCC1 |
CC(OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 |
CC(OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1 |
Cc1ccc(C(C)OC(=O)Cn2c(C)c(C)sc2=O)cc1 |
Cc1ccc(C(C)OC(=O)c2cc(C(N)=O)cs2)cc1 |
Cc1ccc(C(C)OC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1 |
Cc1ccc(C(C)OC(=O)C2CCC(C(N)=O)CC2)cc1 |
Cc1ccc(C(C)OC(=O)CCOC(C)C)cc1 |
Cc1ccc(C(C)OC(=O)Cn2nc3ccccn3c2=O)cc1 |
CC(=O)Nc1nc(C(=O)OC(C)c2ccc(C)cc2)cs1 |
CC(OC(=O)c1cc(C(N)=O)cs1)c1ccccc1C(F)(F)F |
CCOCC(=O)OC(C)c1ccccc1C(F)(F)F |
CC(OC(=O)C1CCC(C(N)=O)CC1)c1ccccc1C(F)(F)F |
CC(Sc1nnnn1C1CC1)C(=O)OC(C)c1ccccc1 |
CC(OC(=O)C1CCCCN1C(=O)c1ccco1)c1ccccc1 |
CC(OC(=O)CCC(=O)Nc1nccs1)c1ccccc1 |
CC(OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccc1 |
CC(OC(=O)CSc1nnnn1C1CCCC1)c1ccccc1 |
COc1ccc(C(C)OC(=O)c2cc(C(N)=O)cs2)cc1F |
COc1ccc(C(C)OC(=O)c2cn(C)nc2C(F)(F)F)cc1F |
COc1ccc(C(C)OC(=O)C2CCCN2C(=O)C(C)C)cc1F |
COc1ccc(C(C)OC(=O)c2cnn(C(C)(C)C)c2)cc1F |
COc1ccc(C(C)OC(=O)c2cnn(C)c2-n2cccc2)cc1F |
COc1ccc(C(C)OC(=O)Cn2nc3ccccn3c2=O)cc1F |
Cc1sc(=O)n(CC(=O)OC(C)c2ccc(F)cc2F)c1C |
CC(OC(=O)c1cc(C(N)=O)cs1)c1ccc(F)cc1F |
CC(OC(=O)c1cn(C)nc1C(F)(F)F)c1ccc(F)cc1F |
CC(OC(=O)CSc1ccncc1)c1ccc(F)cc1F |
CC(OC(=O)Cn1nc2ccccn2c1=O)c1ccc(F)cc1F |
Cc1sc(=O)n(CC(=O)OC(C)c2cc(F)ccc2F)c1C |
CC(OC(=O)c1cc(C(N)=O)cs1)c1cc(F)ccc1F |
CC(OC(=O)CSc1ccncc1)c1cc(F)ccc1F |
Cc1sc(=O)n(CC(=O)OC(C)c2ccc3c(c2)OCCO3)c1C |
CC(OC(=O)c1cnn(C(C)(C)C)c1)c1ccc2c(c1)OCCO2 |
CC(=O)c1cc(C(=O)OC(C)c2ccc3c(c2)OCCO3)n(C)c1 |
Cc1csc(=O)n1CC(=O)OC(C)c1ccc2c(c1)OCCO2 |
CC(OC(=O)c1cccnc1)c1ccc2c(c1)OCCO2 |
CC(OC(=O)CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2 |
CC(OCC(F)(F)F)C(=O)OC(C)c1ccc2c(c1)OCCO2 |
CC(OC(=O)CCn1ccccc1=O)c1ccc2c(c1)OCCO2 |
COCc1ccc(C(=O)OC(C)c2ccc3c(c2)OCCO3)o1 |
CC(OC(=O)CCc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 |
Cc1sc(=O)n(CC(=O)OC(C)c2ccc(F)c(Cl)c2)c1C |