Compound Name

SMILES String

COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1

COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1

Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1

Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C

Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1

CN(C)CCCn1c(SCCc2c[nH]c3ccccc23)nc2ccc(F)cc2c1=O

CN(C)CCCn1c(SCCc2c[nH]c3ccccc23)nc2ccc(Cl)cc2c1=O

Oc1ccccc1N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccc(F)cc2c1=O

Oc1ccccc1N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O

CCCC(=O)NCCCCC(NC(=O)CCC)C(=O)[O-]

CC(C)C(=O)NCCCCC(NC(=O)C(C)C)C(=O)[O-]

CCCC(=O)[O-]

Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2F)c(C)c1

Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2Cl)c(C)c1

Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2Br)c(C)c1

Cc1c(C)c(S(=O)(=O)NCCc2ccccc2Cl)c(C)c2c1OC(C)(C)C2

Cc1ccccc1CCNS(=O)(=O)c1c(C)cccc1Cl

Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2C)c(C)c1

Cc1ccccc1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl

O=S(=O)(NCCc1ccccc1Cl)c1c(Cl)cc(Br)cc1Cl

O=S(=O)(NCCc1ccccc1F)c1c(Cl)cc(C2CC2)cc1Cl

O=S(=O)(NCCc1ccccc1Cl)c1c(Cl)cc(C2CC2)cc1Cl

O=S(=O)(NCCc1ccccc1Cl)c2c(Cl)cc(C(F)(F)F)cc2Cl

Cc1ccccc1C(F)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl

Cc1ccccc1[C@@H](F)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl

Cc1ccccc1[C@H](F)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl

Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2O)c(C)c1

O=S(=O)(NCCc1ccccc1O)c1c(Cl)cc(Br)cc1Cl

Cc1cc(Cl)c(S(=O)(=O)NCCc2ccccc2O)c(C)c1O

COc1cc(C)c(S(=O)(=O)NCCc2ccccc2Cl)c(C)c1

COc1cc(C)c(S(=O)(=O)NCCc2ccccc2O)c(C)c1

Cc1cc(O)cc(C)c1S(=O)(=O)NCCc1ccccc1O

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Oc1cc(nn1-c1ccccn1)-c1ccccc1

CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc3CCCc3c2)cc1

CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc2CCCc2c1

CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc2CCCc2c1

CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2cccc(Cl)c2)cc1

CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1cccc(Cl)c1

CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1cccc(Cl)c1

CCc1ccc(cc1)N1C(=S)N(C)\C(=C/c2ccc(cc2)N(C)C)C1=O

CCc1ccc(cc1)N1C(=O)\C(=C\c2cccc(O)c2O)N(C)C1=S

CCc1ccc(cc1)N1C(=O)\C(=C\c2ccc(O)cc2O)N(C)C1=S

CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc(C)cc2)cc1

CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc(C)cc1

CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc(C)cc1

CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccccc2)cc1

CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccccc1

CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccccc1

CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1

CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1cccc(O)c1O

CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1ccc(O)cc1O

Oc1ccc(CCNC(=O)C(=O)Nc2cccc(c2)[N+]([O-])=O)cc1O

COc1cc(CCNC(=O)C(=O)Nc2cccc(N)c2)ccc1O

Oc1cccc(C=NNC(=O)C(=O)NN=Cc2cccc(O)c2O)c1O |w:14.13,7.7|

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

OC[C@H]1O[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|

COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12

Nc1ccc(Nc2ncnc3c4cc(N)ccc4sc23)cc1

Nc1cccc(Nc2ncnc3c4cc(N)ccc4sc23)c1

Oc1ccc(C=NNC(=O)C(=O)c2cccc(c2)[N+]([O-])=O)cc1O |w:6.6|

Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:13.12,6.6|

COc1cc(\C=C2/C(=O)Nc3ccc(NC(C)=O)cc23)ccc1O

Oc1ccc(\C=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1O

Cc1cc2NC(=O)C(=NC(=S)N(CC=C)CC=C)c2c(C)c1O |w:8.8|

CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O

OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O

COC(=O)c1cc(NCc2ccccc2O)ccc1O

OC(=O)c1cc(NCc2ccccc2O)ccc1O

Oc1ccc2c(O)c(-c3ccc(O)c(O)c3)c(=O)oc2c1

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

Oc1cc2n(Cc3ccccc3S(=O)(=O)c3ccccc3)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1cc2n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1cc2n(Cc3ccccc3C#N)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1cc2n(Cc3cccc(c3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1ccc(cc1Cn1c2cc(O)c(O)cc2c2cc(O)c(O)cc2c1=O)[N+]([O-])=O

Cc1n(CCc2cnc[nH]2)c(=O)cc2[nH]n(-c3nc4ccccc4s3)c(=O)c12

Cc1n(CCc2c[nH]c3ccccc23)c(=O)cc2[nH]n(-c3nc4ccccc4s3)c(=O)c12

Cc1n(Cc2ccco2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12

Cc1n(Cc2ccc(cc2)C(O)=O)c(=O)cc2[nH]n(-c3nc4ccccc4s3)c(=O)c12

Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12

Cc1n(CCc2ccccc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12

Cc1n(Cc2ccc3OCOc3c2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12

Cc1n(N2CCOCC2)c(=O)cc2[nH]n(-c3nc4ccccc4s3)c(=O)c12

Cc1n(Cc2ccccc2)c(=O)cc2[nH]n(-c3ccc(F)cc3)c(=O)c12

Cc1n(Cc2cccc(Oc3ccccc3)c2)c(=O)cc2[nH]n(-c3ccc4nncn4n3)c(=O)c12

CC(=O)n1n(-c2ccccc2)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12

Cc1n(CC2CCCO2)c(=O)cc2n(Cc3ccccc3)n(-c3nc4ccccc4s3)c(=O)c12

Cc1n(N2CCOCC2)c(=O)cc2n(Cc3ccccc3Cl)n(-c3nc4ccccc4s3)c(=O)c12

Cc1n(CC2CCOC2)c(=O)cc2n(Cc3ccccn3)n(-c3nc4ccccc4s3)c(=O)c12

CCOCCCn1c(C)c2c(cc1=O)n(Cc1ccccn1)n(-c1ccccc1Cl)c2=O |(45.1,-26.35,;43.77,-25.59,;42.44,-26.36,;41.1,-25.6,;39.77,-26.37,;38.43,-25.61,;37.1,-26.38,;35.77,-25.62,;35.76,-24.08,;34.44,-26.4,;34.44,-27.93,;35.77,-28.71,;37.11,-27.93,;38.44,-28.7,;32.97,-28.41,;32.19,-29.73,;32.95,-31.07,;34.49,-31.08,;35.25,-32.41,;34.47,-33.75,;32.93,-33.74,;32.17,-32.4,;32.07,-27.16,;30.53,-27.16,;29.77,-28.49,;28.23,-28.5,;27.46,-27.16,;28.23,-25.82,;29.77,-25.83,;30.54,-24.49,;32.97,-25.92,;32.5,-24.45,)|

Cc1n(CCc2c[nH]c3ccccc23)c(=O)cc2n(Cc3ccc(F)cc3)n(-c3ccccc3)c(=O)c12

Cc1n(CCCN2CCCC2=O)c(=O)cc2n(Cc3ccccc3Cl)n(-c3ccccc3)c(=O)c12

COc1cccc(CC(=O)n2n(-c3ccccc3)c(=O)c3c(C)n(Cc4cccnc4)c(=O)cc23)c1

CC(=O)n1n(-c2ccccc2C)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12 |(31.69,-42.59,;30.93,-41.25,;29.39,-41.24,;31.71,-39.93,;30.81,-38.68,;29.27,-38.68,;28.51,-40.01,;26.97,-40.01,;26.19,-38.67,;26.97,-37.34,;28.51,-37.34,;29.28,-36.01,;31.72,-37.43,;31.24,-35.97,;33.18,-37.91,;34.51,-37.14,;34.5,-35.6,;35.85,-37.9,;37.18,-37.12,;38.52,-37.89,;38.52,-39.43,;39.85,-40.19,;41.18,-39.42,;41.17,-37.87,;39.84,-37.11,;35.85,-39.45,;37.19,-40.22,;34.51,-40.22,;33.18,-39.45,)|

CC(=O)n1n(-c2ccccc2Cl)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12 |(50.73,-44.13,;49.97,-42.79,;48.42,-42.78,;50.74,-41.46,;49.84,-40.21,;48.3,-40.21,;47.54,-41.54,;46,-41.55,;45.22,-40.21,;46,-38.87,;47.54,-38.88,;48.31,-37.54,;50.75,-38.97,;50.27,-37.5,;52.21,-39.45,;53.54,-38.67,;53.53,-37.13,;54.88,-39.43,;56.21,-38.66,;57.55,-39.42,;57.55,-40.96,;58.88,-41.73,;60.22,-40.95,;60.21,-39.4,;58.87,-38.64,;54.88,-40.99,;56.22,-41.75,;53.55,-41.76,;52.21,-40.99,)|

Cc1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Cc1n(C)c(=O)cc2[nH]n(-c3ccccc3F)c(=O)c12

Cc1n(C)c(=O)cc2[nH]n(-c3nc(cs3)-c3ccccc3)c(=O)c12

CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)-n1[nH]c2cc(=O)n(C)c(C)c2c1=O

Cc1n(C)c(=O)cc2[nH]n(C)c(=O)c12

Cc1n(C)c(=O)cc2[nH]n(-c3ccc(F)cc3Cl)c(=O)c12

Cc1n(C)c(=O)cc2[nH]n(-c3ccc(OCc4ccccc4)cc3)c(=O)c12

Cc1n(C)c(=O)cc2[nH]n(-c3cccc(c3)C#N)c(=O)c12

Cc1n(C)c(=O)cc2[nH]n(-c3cccc(Cl)c3)c(=O)c12

CC(=O)Nc1cccc(c1)-n1[nH]c2cc(=O)n(C)c(C)c2c1=O

Cc1n(CC2CCCCC2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Cc1n(CCCO)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

CN(C)CCn1c(C)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O

CN1CCN(CC1)C(=O)CCCn1c(C)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O

Cc1n(CC#Cc2ccccc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Cc1n(NC(=O)COc2ccc(F)cc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

CN1CCN(Cc2ccc(Cn3c(C)c4c(cc3=O)[nH]n(-c3ccccc3Cl)c4=O)cc2)CC1

Cc1n(Cc2ccc(cc2)S(N)(=O)=O)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Cc1n(Cc2cccc(n2)N2CCOCC2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(C)c(=O)c12

COCCn1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(CCN3CCOCC3)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(CCc3ccccc3)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(CCOc3ccc(Cl)cc3)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3cc(Cl)ccc3Cl)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3ccccc3)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3ccc(F)cc3Cl)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3ccc(Cl)cc3)c(=O)c12

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccc(F)cc3Cl)c(=O)c12

Cc1ccccc1-n1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccnc4cc(Cl)ccc34)c(=O)c12

COCCCn1c(CN(C)Cc2ccccc2)c2c(cc1=O)[nH]n(-c1ccc(F)cc1Cl)c2=O

COCCn1c(COc2ccc(F)cc2)c2c(cc1=O)[nH]n(CCN1CCOCC1)c2=O

Fc1ccc(c(Cl)c1)-n1[nH]c2cc(=O)n(CCc3ccccn3)c(CN3CCCC3)c2c1=O

CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1

COc1cccc(c1)N1CCN(Cc2n(C)c(=O)cc3[nH]n(-c4ccccc4Cl)c(=O)c23)CC1

CN(Cc1n(CCc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1

CN(Cc1ccccc1)Cc1n(Cc2ccn(C)n2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

Clc1ccccc1-n1[nH]c2cc(=O)n(Cc3cnccn3)c(COCc3ccccc3)c2c1=O

Cn1c(COCc2ccccc2Cl)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O

Cn1c(COc2ccc(F)cc2)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O

Cn1c(-c2ccccc2F)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O |(55.19,-34.39,;53.86,-35.16,;52.52,-34.4,;52.52,-32.86,;51.18,-32.11,;51.17,-30.57,;52.5,-29.78,;53.84,-30.55,;53.85,-32.09,;55.18,-32.86,;51.19,-35.17,;51.19,-36.71,;52.53,-37.49,;53.87,-36.71,;55.2,-37.48,;49.73,-37.19,;48.82,-35.94,;47.28,-35.94,;46.52,-37.27,;44.98,-37.28,;44.21,-35.94,;44.98,-34.6,;46.52,-34.6,;47.3,-33.27,;49.73,-34.7,;49.26,-33.23,)|

CC(C)(C)OC(=O)N1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O

Clc1ccccc1-n1[nH]c2cc(=O)n3CCCNCc3c2c1=O

Clc1ccccc1-n1[nH]c2cc(=O)n3CCN(Cc4ccccc4)Cc3c2c1=O

Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O

COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O

Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O

Clc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1

Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1

COc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O

COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1

COc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1

Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccoc4)Cc3c2c1=O

Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O

Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O

COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O

COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3OC)c2=O)c1

Clc1ccccc1-n1[nH]c2cc(=O)n3CCOCc3c2c1=O

Fc1ccc(cc1)S(=O)(=O)N1CCCN(C1=O)c1ccc(cc1)C(F)(F)F

COc1ccc(cc1)S(=O)(=O)N1CCCN(C1=O)c1ccc(cc1)C(F)(F)F

COc1ccc(cc1)S(=O)(=O)N1CCN(C1=O)c1ccc(cc1)C(F)(F)F

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:20:19:3.2:13.8,9:8:3.2:24.19,THB:14:13:3.2:24.19|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|

[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cc(C)on1)c1c(Br)cccc21 |r,TLB:22:21:3.2:13.8,9:8:3.2:27.21,THB:14:13:3.2:27.21|

Oc1ccccc1-c1nc(no1)-c1ccccc1

Oc1ccccc1-c1nc(Cc2ccccc2)no1

Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1

CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1

CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1

CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1

CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1

CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1

CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1

CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1

CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1

COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)C

COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)C

CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(OC)c1

CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(OC)c1

COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCO

COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCO

COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCCO

COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCCO

CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1

CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1

CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1

CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1

CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1

CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1

CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1

CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1

[I+]1c2ccccc2-c2ccccc12

C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|

C(c1ccccc1)n1nnc2c(Sc3nc4ccccc4o3)ncnc12

CCCc1c(O)n(nc1-c1ccccc1)-c1ccccn1

CN(C)c1cccc(c1)-c1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

CC(=O)c1ccc2Sc3ccccc3Nc2c1

CCOC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)sc2CCCc12