Compound Name

SMILES String

COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccco1 |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccco1 |r|

C[Si](C)(C)C#Cc1ccc-2c(c1)C(=O)N1CCC[C@H]1c1c(ncn-21)C(=O)OCC(F)(F)F |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(C=C)ccc-21 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccccc1 |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1ccccc-21 |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc-21 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1cccs1 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)-c1ccccc1 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(C=C)ccc-21 |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc-21 |r|

FC(F)(F)COC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C |r|

CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C |r|

C1CNCCC1C(=O)O

NCCC[Se](O)=O

OC(=O)Cc1cnc[nH]1

OC(=O)C1=CCNCC1 |t:3|

CP(O)(O)C1=CCNCC1 |t:4|

C1CNCCC1S(=O)(=O)O

OP(=O)C1(O)CCNCC1

OP(O)C1=CCNCC1 |t:3|

C(CC(=O)O)CN

OP(O)(=O)C1CCNCC1

O[Se](=O)C1CCNCC1

CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C

CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C[Si](C)(C)C

CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|

Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12

Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21

CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21

FC(F)(F)C(OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21)C(F)(F)F

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccco1

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1cccs1

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccccc1

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C(C)(C)C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OC(C)(C)C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#CC#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OC(C)(C)C

FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21

FC(F)(F)C(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F

ClC(Cl)(Cl)COC(=O)c1cc2c(cn1)[nH]c1ccccc21

CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(Cl)(Cl)Cl

Fc1cc(F)c(OC(=O)c2cc3c(cn2)[nH]c2ccccc32)cc1F

CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)c1ccccc1

C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F |r|

C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F |r|

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21

CCCOc1cc2c(cn1)[nH]c1ccccc21

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C

CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21

C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OCC(F)(F)F

CCOC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C

COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21

CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O