Compound Name

SMILES String

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1c(Cl)cc(Cl)cc1Cl)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)c(Cl)c(Cl)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(Cl)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(c1)C(F)(F)F)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)ccc1Cl)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(F)c(F)c(F)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(F)cc(Cl)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(F)cc(F)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(F)cc(c1)C(F)(F)F)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(Cl)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(F)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)cc1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(F)c(Cl)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(F)c(F)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(c(Cl)c1)C(F)(F)F)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Br)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1Cl)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(F)c1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(c1)C#N)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(c1)C(F)(F)F)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(c1)[N+]([O-])=O)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccccc1)\C#N

CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccccc1Cl)\C#N

CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N

CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(NNc1ccc(Cl)c(c1)C(F)(F)F)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(Cl)c(Cl)c(Cl)c1)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(Cl)cc(Cl)c1)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(Cl)cc(c1)C(F)(F)F)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(F)c(F)c(F)c1)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(F)cc(Cl)c1)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(Cl)c(Cl)c(Cl)c1)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(Cl)cc(Cl)c1)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(Cl)cc(c1)C(F)(F)F)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(F)c(F)c(F)c1)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(F)cc(Cl)c1)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1ccc(Cl)c(c1)C(F)(F)F)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cccc(Cl)c1)C#N

CC(C)(C)c1ccc(cc1)C(=O)C(NNc1ccccc1)C#N

CC(C)c1nc(SCc2cc(C)ccc2C)[nH]c(=O)c1C#N

CCCCCc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C

CCOC(=O)c1cccc(N\N=C(/C#N)C(=O)c2cc(on2)C(C)(C)C)c1

CCc1cccc(Nc2c(C)cc(C)cc2C)c1

CCc1cccn1S(=O)(=O)c1c(C)cc(C)cc1C

CCc1cccn1S(=O)(=O)c1cc(C)cc(C)c1

CCc1cccn1S(=O)(=O)c1ccc(C)cc1

CCc1cccn1S(=O)(=O)c1ccc(C)cc1C

CCc1cccn1S(=O)(=O)c1ccc(Cl)cc1

CCc1cccn1S(=O)(=O)c1ccc(OC)cc1

CCc1cccn1S(=O)(=O)c1ccc(cc1)C(F)(F)F

CCc1cccn1S(=O)(=O)c1ccccc1C

CN1CCC(CC1)c1nc(SCc2cc(C)ccc2C)[nH]c(=O)c1C#N

COC(=O)c1ccc2n(ccc2c1)S(=O)(=O)c1c(C)cc(C)cc1C

COc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N

COc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N

COc1ccc(cc1)-c1cc(no1)C(=O)C(NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N

COc1ccc(cc1)-c1cc(no1)C(=O)C(NNc1ccc(Cl)c(c1)C(F)(F)F)C#N

COc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C

COc1cccc(Nc2c(C)cc(C)cc2C)c1

C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |r|

C[C@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |r|

Cc1cc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1

Cc1cc(C)c(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1

Cc1cc(C)c(Nc2c(C)cc(C)cc2C)c(C)c1

Cc1cc(C)c(Nc2c(C)cc(Cl)cc2Cl)c(C)c1

Cc1cc(C)c(Nc2c(F)cc(F)cc2F)c(C)c1

Cc1cc(C)c(Nc2cc(Cl)c(Cl)c(Cl)c2)c(C)c1

Cc1cc(C)c(Nc2cc(Cl)cc(Cl)c2)c(C)c1

Cc1cc(C)c(Nc2cc(Cl)cc(c2)C(F)(F)F)c(C)c1

Cc1cc(C)c(Nc2cc(Cl)ccc2C)c(C)c1

Cc1cc(C)c(Nc2cc(Cl)ccc2Cl)c(C)c1

Cc1cc(C)c(Nc2cc(F)c(F)c(F)c2)c(C)c1

Cc1cc(C)c(Nc2cc(F)cc(Cl)c2)c(C)c1

Cc1cc(C)c(Nc2cc(F)cc(F)c2)c(C)c1

Cc1cc(C)c(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c1

Cc1cc(C)c(Nc2ccc(Br)cc2)c(C)c1

Cc1cc(C)c(Nc2ccc(C)c(Cl)c2)c(C)c1

Cc1cc(C)c(Nc2ccc(Cl)c(Cl)c2)c(C)c1

Cc1cc(C)c(Nc2ccc(Cl)c(F)c2)c(C)c1

Cc1cc(C)c(Nc2ccc(Cl)c(c2)C(F)(F)F)c(C)c1

Cc1cc(C)c(Nc2ccc(F)c(Cl)c2)c(C)c1

Cc1cc(C)c(Nc2ccc(F)c(F)c2)c(C)c1

Cc1cc(C)c(Nc2ccc3CCCc3c2)c(C)c1

Cc1cc(C)c(Nc2cccc(Br)c2)c(C)c1

Cc1cc(C)c(Nc2cccc(C)c2C)c(C)c1

Cc1cc(C)c(Nc2cccc(Cl)c2C)c(C)c1

Cc1cc(C)c(Nc2cccc(F)c2)c(C)c1

Cc1cc(C)c(Nc2cccc(N)c2)c(C)c1

Cc1cc(C)c(Nc2cccc(O)c2)c(C)c1

Cc1cc(C)c(Nc2cccc(c2)C#Cc2c(C)cc(C)cc2C)c(C)c1

Cc1cc(C)c(Nc2cccc(c2)C(F)(F)F)c(C)c1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1C

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(I)cc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(O)cc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OC2CCCCC2)cc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OC2CCNCC2)cc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OCCN)cc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(cc1)C1CCCCC1

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2cc(ccc12)C(O)=O

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ccccc12

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2cccnc12

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ccncc12

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2cnccc12

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ncccc12

Cc1cc(C)cc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1

Cc1cc(C)cc(Nc2c(C)cc(C)cc2C)c1

Cc1cc(C)n(c1)S(=O)(=O)c1c(C)cc(C)cc1C

Cc1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(Cl)c1)\C#N

Cc1ccc(C)c(CSc2nc(C3CC3)c(C#N)c(=O)[nH]2)c1

Cc1ccc(C)c(CSc2nc(C3CCCC3)c(C#N)c(=O)[nH]2)c1

Cc1ccc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1

Cc1ccc(C)c(CSc2nc(C3CCNCC3)c(C#N)c(=O)[nH]2)c1

Cc1ccc(C)c(Nc2c(C)cc(C)cc2C)c1

Cc1ccc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1

Cc1ccc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1

Cc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1

Cc1ccc(Nc2c(C)cc(C)cc2C)c(C)c1

Cc1ccc(Nc2c(C)cc(C)cc2C)cc1

Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C

Cc1cccc(N\N=C(/C#N)C(=O)c2cc(on2)C(C)(C)C)c1

Cc1nc(Nc2c(C)cc(C)cc2C)sc1C

Clc1cc(Cl)cc(NNC(C#N)C(=O)c2ccc3CCCCc3c2)c1

Clc1cc(Cl)cc(NNC(C#N)C(=O)c2ccc3ccccc3c2)c1

Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)c1

Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CC2)c1

Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)c1

Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2ccc3CCCCc3c2)c1

Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2ccc3ccccc3c2)c1

Clc1cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CC2)cc(Cl)c1Cl

Clc1cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)cc(Cl)c1Cl

Clc1ccc(Nc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1

Clc1cccc(N\N=C(/C#N)C(=O)c2cc(on2)C2CC2)c1

Clc1cccc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)c1

FC(F)(F)C(=O)Nc1sc2c(c1C#N)c1ccccc1oc1c2c(=O)c2ccccc2c1=O

FC(F)(F)c1cc(Cl)cc(NNC(C#N)C(=O)c2cc(on2)-c2ccco2)c1

FC(F)(F)c1cc(Cl)cc(NNC(C#N)C(=O)c2noc3ccccc23)c1

FC(F)(F)c1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccco2)c1

FC(F)(F)c1cc(Cl)cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)c1

FC(F)(F)c1cc(NNC(C#N)C(=O)c2cc(on2)-c2ccccc2)cc(c1)C(F)(F)F

FC(F)(F)c1cc(NNC(C#N)C(=O)c2cc(on2)-c2ccccc2)ccc1Cl

FC(F)(F)c1cc(NNC(C#N)C(=O)c2cc(on2)-c2ccco2)ccc1Cl

FC(F)(F)c1cc(NNC(C#N)C(=O)c2noc3ccccc23)ccc1Cl

FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)cc(c1)C(F)(F)F

FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)ccc1Cl

FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccco2)ccc1Cl

FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)ccc1Cl

FC(F)(F)c1ccc(NNC(C#N)C(=O)c2noc3ccccc23)cc1Cl

FC(F)(F)c1ccc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc1Cl

Nc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1

Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc12

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O |r|

O=C(C(NNc1ccccc1)C#N)c1ccon1

O=C(CSc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1)Nc1ccccc1

O=c1[nH]c(=S)[nH]c(C2CCCCC2)c1C#N

O=c1[nH]c(Nc2ccccc2)nc(C2CCCCC2)c1C#N

O=c1[nH]c(SCc2ccccc2)nc(C2CCCCC2)c1C#N

OC(=O)CSc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1

Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|

[#8]\[#6](-[#8])=[#6]\[#6]=[#6]-1/[#6]-2=[#6](-[#8]-c3c(-[#8])c(-[#8])ccc-13)-[#6](=O)-[#6](=O)-[#6]=[#6]2 |c:6,23|

[I-].COCCC[n+]1c(C)csc1Nc1c(C)cc(C)cc1C

[Na;v0+].[H][C@@]12[#6]-[#8]P([#8-])(=O)[#8][C@@]1([H])[#6@@H](-[#8])-[#6@@H](-[#8]2)-n1c(Br)cc2c(-[#7])ncnc12 |r|

[Na;v0+].[H][C@@]12[#6]-[#8]P([#8-])(=O)[#8][C@@]1([H])[#6@@H](-[#8])-[#6@@H](-[#8]2)-n1cc(Br)c2c(-[#7])ncnc12 |r|

[Na;v0+].[H][C@@]12[#6]-[#8]P([#8-])(=O)[#8][C@@]1([H])[#6@@H](-[#8])-[#6@@H](-[#8]2)-n1ccc2c(-[#7])ncnc12 |r|