Compound Name

SMILES String

c1cc2c(cc1C(=O)N)c(c[nH]2)CCN

NCCc1c[nH]c2ccc(O)cc12

CCCN(CCC)C1CCc2cccc(O)c2C1

COc1cc(CC(C)N)c(OC)cc1I

c1cc(c(cc1CCN)O)O

C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C

CC(=O)NCCc1c[nH]c2c1cc(cc2)OC

CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1

CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13

CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1

CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C

NCC(O)c1ccc(O)c(O)c1

CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|

CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

CN(C)CCc1c[nH]c2c1cc(cc2)O

NCCc1c[nH]c2ccc(OCC(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cc12

CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C

COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|

CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

FC(F)(F)c1cccc(c1)N1CCNCC1

c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F

CC(C)NCC(O)COc1cccc2[nH]ccc12

c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F

CC(C)NC[C@@H](COc1cccc2c1cccc2)O

Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O

Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13

FC(F)(F)c1ccc2CCC3CNCCN3c2c1