Compound Name

SMILES String

O=S(=O)(NCC1CCCO1)c1ccc(cc1)S(=O)(=O)NCc1ccncc1

CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1

FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1

COCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc(C)c1

COc1ccc(CNc2cc(C)nc3ncnn23)c(OC)c1

COCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc(c1)C(F)(F)F

Cn1c2nc(OCC=C)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O

Cn1c2nc(OCC=C)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O

CCCc1c(CC)c(=N)c2ccccc2n1C

CCCCOc1ncnc2c3cc(F)ccc3[nH]c12

COc1ccc(CCNc2ncnc3c4ccccc4oc23)cc1OC

CCN1CCCC1CNc1ncnc2c3cc(Cl)ccc3[nH]c12

COCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12

CCCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12

CCCCn1c(SCc2c(C)noc2C)nc2cc(ccc12)S(N)(=O)=O

CC(C)n1c(cs\c1=N/c1cccnc1)-c1ccco1

Clc1ccc(OCc2nc3cc(ccc3n2CC2CCCO2)S(=O)(=O)N2CCOCC2)cc1

CCn1c(C)nc2cc(ccc12)-c1nnc(o1)-c1c(C)onc1-c1ccccc1

COc1cc(NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC

COc1cccc(\C=C\c2ccncc2)c1OC

COCCNC(=O)CSCc1nc(oc1C)-c1ccc(SC)cc1

Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1

Cc1ccc(O)c(NC(=O)COc2cc(C)ccc2C)c1

COc1nnc(-c2ccc(N3CCCCC3)c(N)c2)c2ccccc12

Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1

CCC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc23)cc1

Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCN(CC1)C1CCCCC1

CCCN(CCC)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1

CC1Cc2ccccc2N1C(=O)c1ccc(CNc2c(N3CCC(C)CC3)c(=O)c2=O)cc1

Cn1c2nc(NCC=C)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O

CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F

Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 |w:5.5|

COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC

CCC(C)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1

CC(C)(C)c1ccc(CN2C3=NCCCN3c3ccccc23)cc1 |t:10|

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CSc1nnc2-c3ccccc3CC(C)(C)n12

CCN(CC)C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccccc2s1

COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)cc1

Cn1nc(CC(=O)NCc2ccc(cc2)C(F)(F)F)c2ccccc2c1=O

Fc1ccc(Cn2c(cc3sccc23)C(=O)N2CCN(CC2)c2nc3ccccc3s2)cc1

O=C(N1CCN(CC1)c1nc2ccccc2s1)c1cc2sccc2n1Cc1ccccc1

Cc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1

Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C

COCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc(OC)c1

Cn1c(NCCOc2ccc(cc2)C(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12

Cc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1 |w:10.9|

CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 |w:10.10|

CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C

CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1

CCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1

CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1

COc1ccc(cc1)N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12

CCCCOCCCNc1ncnc2c3ccccc3[nH]c12

Cc1sc2ncnc(NCC(C)(C)N3CCOCC3)c2c1C

Cc1sc2ncnc(NCc3cccs3)c2c1C

[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc2C3CCCC3CN3CC4CCCC4c(c1)c23

FC(F)(F)c1cccc(CSCC2CSc3nc4ccccc4c(=O)n23)c1

CN1\C(=C/C=N/c2ccccc2)C(C)(C)c2ccccc12

Fc1ccc(cc1)-n1nnnc1-c1cnc(nc1C(F)(F)F)-c1cccs1

CCCC(C)C(=O)Nc1nc(C)c(s1)-c1csc(Nc2ccc(Cl)cc2)n1

COc1ccc(cc1OC)-c1c2CCc3ccccc3-c2nc(N)c1C#N

C[n+]1c2SCC(=Nn2c2ccccc12)c1ccccc1 |c:5|

[H]C12CC3([H])CC(C)(C1)CC(C2)(C3)C(=O)OCCc1sc[n+](Cc2ccccc2)c1C |TLB:12:10:8:3.5.2,13:10:8:3.5.2,THB:12:3:8:10.9.11,2:3:9:1.8.11|

Cc1cc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)c(C)n1-c1cccnc1

COc1ccc(cc1)-c1nn(cc1\C=N\NC(=O)c1ccc(Br)o1)-c1ccccc1

Cc1nc2CCCCc2cc1C(=O)C=Cc1ccccc1 |w:13.14|

Oc1ccc(C=C2NC(=O)C(=CNCc3ccccc3)C2=O)cc1 |w:11.11,5.4|

CC(=NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccncc1 |w:2.2|

Clc1nc2ccccc2cc1\C=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1

CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2O)sc2CCCCCc12 |w:13.12|

NC(=O)c1c(NC(=O)Cc2ccccc2)scc1-c1ccc(Cl)cc1Cl

O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)\C=C\c1ccco1

Cc1ccc(cc1)C1=C(CC(O)=O)C(=O)CC1 |c:8|

C(C#Cc1ccccc1)[N+]1(CC#Cc2ccccc2)CCCC1

CCn1c(CC=Nc2ccccc2)[n+](CC)c2cc(Cl)c(Cl)cc12 |w:6.6|

CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12

CCn1c(CC=Nc2ccccc2)[n+](CC)c2ccc(Cl)cc12 |w:6.6|

CCOC(=O)CSc1c([nH]c2ccccc12)-c1cccs1

CC(C(=O)c1ccc(cc1)-c1ccccc1)[n+]1cc(C)cc(C)c1

COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(Cl)cc1)C(=O)NC1CCCCC1

CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|

CCCCCCCNC1=CC(=O)CC(C1)c1ccccc1 |t:8|

C(C#Cc1ccccc1)[N+]1(CC#Cc2cccc3ccccc23)CCCC1

COc1ccc(C[n+]2c(cn3ccccc23)-c2ccc(Cl)cc2)cc1

Clc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12

CC1Sc2n(N=C1c1ccccc1)c1ccccc1[n+]2C |c:5|

CCCOc1ccc(Br)cc1CSC(N)=N

CCc1ccccc1NC(=S)NN=C1C(=O)N(C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:12.12|

Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1 |w:13.13|

Cc1ccc(cc1)-c1c[n+](Cc2ccc(Cl)c(Cl)c2)c2CCCn12

CCCCCCCCCCCC[N+](C)(C)CC#C

CCOC(=O)c1c(NC(=O)COc2cccc3C(=O)N(C)CCc23)sc2CCCc12

CCNc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12

CCCn1c(N)c(-c2nc(C3CC3)c(s2)C(=O)c2ccc(cc2)C(C)CC)c(=O)n(C)c1=O

CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C)cc2[N+]([O-])=O)c1C

CN1C(=CC(=O)CSc2nc(C)cc(=O)[nH]2)C(C)(C)c2ccccc12 |w:3.3|

Nc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O

COc1ccccc1C(=O)NC(=S)\C=C1\N(C)c2ccccc2C1(C)C

CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc3CCCCc3c2C#N)c1C

C(c1ccccc1)[n+]1cccc(c1)-c1ccccc1

COc1ccc(C2=[N+](C)CCn3cccc23)c(OC)c1 |c:6|

Cc1nn(C)c(C(=O)NCc2ccc(Cl)cc2)c1Cl

CCOC(=O)c1c(C)c(sc1NC(=O)COc1ncnc2ccccc12)C(C)=O

C[N+]1=C(CC=Nc2ccccc2)C(C)(C)c2ccccc12 |w:5.5,c:1|

C(Nc1ncnc2sccc12)C1COc2ccccc2O1

Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C

Cc1ccc2[n+](Cc3ccccc3)ccc(C)c2c1

CN1C(=CC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)C(C)(C)c2ccccc12 |w:3.3|

COc1ccc(CC(=O)Nc2cccc(c2)S(=O)(=O)N2CCCCCC2)cc1OC

CCn1cc[n+](C)c1P(c1ccccc1)c1ccccc1

CN1\C(=C/C=N/NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc12

CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(c2)S(=O)(=O)N2CCCC2)c1C

COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCCC3)c2)cc1

CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1

Cc1ccc(NC(=O)\C=C\c2ccco2)cc1S(=O)(=O)N1CCCCCC1

CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)N1CCOCC1

CCCn1c2CCCc2c(=N)c2CCCCc12

N=c1c(cc(nn1-c1ccccc1)C(=O)c1ccco1)-c1nc2ccccc2[nH]1

CCOC(=O)c1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc23)cc1

C1C[n+]2c(cn(c2S1)-c1ccccc1)-c1ccccc1

Cc1nn(C)c(C)c1\C=C\C(=O)c1ccc(Cl)cc1Cl

Clc1ccc(cc1)-c1cn(c2SCC[n+]12)-c1ccccc1

CC[N+]1=C(C)C(C)(C)c2cc(C)ccc12 |c:2|

CN(Cc1ccc(OCC(O)CN2CCCCC2)cc1)Cc1ccnc2ccccc12

CCOC(=O)N1CCN(CC1)C(=O)c1cc(COc2ccc3ncccc3c2)on1

O=C(Nc1ccncc1)c1ccc(cc1)-c1ccccc1

Clc1cccc(c1)N1CCN(CC1)C(=O)c1cnc(N2CCN(CC2)c2ccccn2)c2ccccc12

CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1

CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1

COc1ccccc1CCNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccncc1

CC(C)c1c(C)n(C)n(-c2ccc(cc2)S(=O)(=O)NC2CCCCC2)c1=O

CCCCCCCN1C2=NCCCN2c2ccccc12 |t:8|

CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(CC)CC

Cc1ccc2N(CCO)\C(Sc2c1)=C/c1ccc[n+](C)c1

CC(C)(C)C1CCC(CC1)OC(=O)C[N+]1(C)CCCCC1 |(6.48,13.05,;6.48,11.51,;8.02,11.51,;4.94,11.51,;6.48,9.97,;5.15,9.2,;5.15,7.66,;6.48,6.89,;7.81,7.66,;7.81,9.2,;6.48,5.35,;5.15,4.58,;3.81,5.35,;5.15,3.04,;3.81,2.27,;5.15,1.5,;3.04,3.61,;1.5,3.61,;.73,2.27,;1.5,.94,;3.04,.94,)|

C[N+]1(CC(=O)OC2CCCCCCCCCCC2)CCCC1

Cc1cccc(C)c1NC(=S)N(CCN1CCCCCC1)Cc1ccco1

COc1ccc(CN(C)Cc2nc(Cc3cccc(F)c3)no2)c2cccnc12

[H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OCCC(C)C)C2(C)C |TLB:8:6:23:3.2|

CC(C)c1c(C)n(C)n(-c2ccc(cc2)S(=O)(=O)NCc2ccccc2)c1=O

Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O

Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1

CCOc1ccc(cc1)-c1cc(C)[n+](CCO)c(c1)-c1ccc(OCC)cc1

Clc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3CCCCc3c2c1

Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12

[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=S)NCc1ccc(Cl)cc1

Cc1cccnc1CN1CCN(CC1)C(=O)c1cc(COc2ccc3ncccc3c2)on1

FC(F)(F)c1ccc(cc1)C(=O)C1CCCN(Cc2ccncc2)C1

O=C(NC1CCCC1)c1cc(COc2ccc3ncccc3c2)on1

COc1cccc(CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)c1

CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1

Cc1cc(C)nc(NC(N)=Nc2ccccc2-c2ccccc2)n1 |w:10.10|

CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)COc1ccccc1

CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O

C[n+]1c2SCC(=Nn2c2ccccc12)c1ccc(cc1)-c1ccccc1 |c:5|

Fc1ccccc1NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc12

CC1CC(C)=CC(C)C11COC(OC1)c1ccc[n+](C)c1 |c:4|

Fc1ccc(Cn2c3CCCc3c(=N)c3CCCCc23)cc1

COc1ccccc1N1CCN(CC1)c1ncc(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2ccccc12

Fc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCCCC1c1cccnc1)C(F)(F)F

Cc1ccc(C)c(c1)N1CC(O)(c2cccs2)[N+]2=C1CCCC2 |c:19|

CC(C)(C)OC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1

Cc1csc2ncnc(NCCc3ccccn3)c12

Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1

COc1ccc(CNCC(O)COc2cccc3CC(C)(C)Oc23)cc1

COc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccc(Cl)cc1

Cc1cc(cc(-c2ccccc2)[n+]1C)-c1ccccc1

CN1C(=CC(=O)COc2cccc(NC(C)=O)c2)C(C)(C)c2ccccc12 |w:3.3|

CCOc1ccc(cc1)-n1c2SCC[n+]2cc1-c1ccc(Cl)cc1

O=C(Nc1cc(ncn1)N1CCCCC1)c1ccccc1

CC(=O)c1ccc(cc1)-n1cc(-c2ccc(cc2)C(C)(C)C)[n+]2CCCSc12

[H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(C)nc2ccccc12 |TLB:9:7:6:3.2|

COc1ccccc1-n1c2CCc3ccccc3-[n+]2cc1-c1ccccc1 |(9.56,5.73,;8.53,6.88,;7.02,6.56,;6.55,5.1,;5.04,4.78,;4.01,5.93,;4.49,7.39,;6,7.71,;6.47,9.17,;7.93,9.64,;9.26,8.87,;10.6,9.64,;10.6,11.18,;12,11.96,;12.01,13.57,;10.62,14.37,;9.24,13.56,;9.26,11.95,;7.93,11.18,;6.47,11.65,;5.57,10.41,;4.03,10.41,;3.26,11.75,;1.72,11.75,;.95,10.41,;1.72,9.08,;3.26,9.08,)|

COc1cccc(c1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1cccs1

CC(C)C(=O)NC(=S)\C=C1\N(C)c2ccccc2C1(C)C

Brc1ccc(cc1)C(=O)C[n+]1c(cn2ccsc12)-c1ccccc1

COc1ccc(cc1)C(=O)C[n+]1cc(-c2ccc(OC)cc2)n2CCCCc12

COc1ccc(cc1)-n1cc(-c2ccc(OC(F)F)cc2)[n+]2CCCCCc12

CNc1ccccc1C(C)(C)c1cc(no1)-c1cccc(Br)c1

CCOc1ccc(cc1)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O |w:14.14|

CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)c1

CN1\C(=C/C=N/NC(=O)c2ccncc2)C(C)(C)c2ccccc12

CCn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O

CCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1

O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCCC1

Cn1c2nc(NCc3ccco3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O

CCOc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)cc1

OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1 |c:9|

CN1CCc2c(C1)sc1nc(SCC(C)=C)n(C3CCCCC3)c(=O)c21

Cc1nc2ccccc2c2OC(Cc12)C(C)(Cl)Br

Clc1ccc(cc1)-n1cc(-c2ccc(Br)cc2)[n+]2CCCCCc12

Clc1ccc(cc1)-c1cn(c2CCCCC[n+]12)-c1ccc(Cl)cc1

FC(F)Oc1ccc(cc1)-n1cc(-c2ccccc2)[n+]2CCCCCc12

C(c1ccccc1)n1c(c[n+]2CCCSc12)-c1ccccc1

C1Cc2n(c(c[n+]2C1)-c1ccccc1)-c1ccccc1

CN(C)CCn1c2ccccc2c2nc3ccc(cc3cc12)[N+]([O-])=O

Brc1ccc(cc1)-c1c[n+]2CCSc2n1-c1ccccc1

C1C[n+]2cc(-c3ccccc3)n(c2S1)-c1ccccc1

COc1ccc(cc1)-c1c[n+](CC(=O)c2ccccc2)c2CCCCCn12

COc1ccccc1-c1c(n[nH]c1C(F)(F)F)-c1ccc(O)cc1O |(3.22,3.98,;4.65,3.4,;4.86,1.87,;3.4,1.4,;3.08,-.11,;4.22,-1.14,;5.69,-.66,;6.01,.84,;7.47,1.32,;8.72,.41,;9.97,1.32,;9.49,2.78,;7.95,2.78,;7.53,4.26,;7.1,5.75,;9.01,4.69,;6.05,3.84,;8.72,-1.13,;10.05,-1.9,;10.05,-3.44,;8.72,-4.21,;8.72,-5.75,;7.39,-3.44,;7.39,-1.9,;5.85,-1.9,)|

FC(F)Oc1ccc(cc1)-c1c[n+]2CCCCCc2n1-c1ccccc1

CC[N+](CC)(CC#Cc1ccccc1)CC#Cc1ccccc1

COc1ccc(CNc2ncnc3c4ccccc4[nH]c23)cc1

Clc1ccc(cc1)-c1c[n+](Cc2ccc(Cl)cc2Cl)c2CCCCCn12

CCOc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)C(=O)c1ccco1

CCCCCn1c2ccccc2n(CC(O)COc2ccccc2OC)c1=N

CN1CCN(CC1)c1cc2nc(C)n(Cc3ccccc3)c(=O)c2cc1NC(=O)Cc1ccccc1

Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)C1CCCCC1

CCCN1CCN([C@H](CSc2ccc(OC)cc2)Cc2ccccc2)C(=O)CC1

CCC(C)[C@H]1CN=C(N)N1CCc1cccc2ccccc12 |t:6|

Cc1nc2ccccc2n1Cc1ccc(Br)cc1

Brc1ccc(cc1)-c1csc(n1)N1CCCCCC1

COc1ccc2[n+](Cc3ccccc3)ccc(C)c2c1

CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1cccnc1

Cc1nn(c(C)c1Cl)-c1ccc(NC(=O)c2ccncc2)cc1

Fc1ccccc1C(=O)NCCNc1ccnc2cc(Cl)ccc12

CC[N+](C)(CC)CCC(C1CCCCC1)c1ccccc1

COc1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(OC)c1

C=CCNC(=S)N=c1ccccn1Cc1ccccc1 |w:6.5|

CNc1nc(NCc2ccccc2)c2ccccc2n1

CC(=O)c1cn(Cc2ccccc2F)c2ccccc12

OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1 |c:9|

CC(=O)c1cn(CCOc2ccccc2C)c2ccccc12

S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1

CCCCOc1ccc(cc1)N1C(N)=NC(N)=NC11CCCCC1 |c:14,17|

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1

Cc1cc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1

c1ccc(cc1)NC(=O)CCCCCCC(=O)NO

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1)c1cc2ccccc2o1 |t:4,TLB:2:4:11:8.9|

[H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NC(C)(C)CO)O[C@@]1([H])O3

[H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NC(C)CC)O[C@@]1([H])O3

[H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(CC(C)C)C(O)=O)O[C@@]1([H])O3

CCCCSc1nc2sc3CN(C)CCc3c2c(=O)n1-c1ccc(C)cc1

COC(CN(C)c1ccc2-c3c(CC[C@H](NC(C)=O)c2cc1=O)cc(OC)c(OC)c3OC)OC

Cc1sc2ncnc(NCC(O)c3ccc(cc3)[N+]([O-])=O)c2c1C

Clc1ccccc1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12

CC1CCC(CC1)NC(=O)c1nc(Cn2nc(C)c(Br)c2C)no1 |(4.41,-8.74,;4.41,-7.2,;5.75,-6.43,;5.75,-4.89,;4.41,-4.12,;3.08,-4.89,;3.08,-6.43,;4.41,-2.58,;5.75,-1.81,;7.08,-2.58,;5.75,-.27,;6.99,.64,;6.52,2.1,;7.42,3.35,;6.8,4.75,;5.29,5.07,;5.13,6.61,;3.8,7.38,;6.54,7.23,;6.86,8.74,;7.57,6.09,;9.1,6.25,;4.98,2.1,;4.5,.64,)|

CCOc1ccc(cc1)-c1nc(CSCC(=O)NCC2CCCO2)c(C)o1

CCOc1ccc(cc1)-c1nc(CSCC(=O)NC2CC2)c(C)o1

Clc1cccc(CCNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1

CCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n(C)n1

CC(=O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)C2CC2)c1

CCc1ccc(CN(C)C(=O)c2cc(COc3cccc4cnccc34)on2)cc1

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)N1CCCCC1

CCOC(=O)CC1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1

OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F

CC(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1

Cc1cc(Br)c(cc1C)S(=O)(=O)NCc1ccncc1

NC(=O)CC(NC(=O)c1ccccc1)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O

CCN(CC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NC1CC1

CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2snnc2C)cc1

CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(CC2CCCO2)c1=N)c1ccccc1

Cc1ncoc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccccc2O)CC1 |w:20.21|

CCC(C(=O)NCCC(C)C)n1ccc2cc(ccc12)S(=O)(=O)N1CCCCC1

COC(=O)c1cc(c[nH]1)S(=O)(=O)N1CCC(C1)c1cc(OC)ccc1OC

FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)N2CCCC2=O)c1

COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C

CN(Cc1nccs1)C(=O)c1cc(COc2cccc3cnccc23)on1

CC(C)(C)c1ccc(cc1)-n1ncc2C(CCCc12)NC(=O)CCN1CCCC1=O

Clc1ccc(CC(=O)Nc2ccncc2)c(Cl)c1

COc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1

FC(F)(F)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)N2CCCC2=O)cc1

Cc1nnsc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F

FC(F)(F)C(NC(=O)c1cc(COc2ccc3CCCCc3c2)on1)c1cccnc1

Cc1ccc(cc1C(N)=O)S(=O)(=O)NCCC1=CCCCC1 |t:17|

COc1ccc(NS(=O)(=O)c2ccc(N3CCN(CCO)CC3)c(c2)[N+]([O-])=O)cc1

CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(ccc1N1CCCCC1)S(=O)(=O)N(CC)CC

CCCCNc1c(nc2ccccn12)-c1ccc(OC)c(Sc2ccc(OC)cc2)c1

CCn1c2c(OC)cccc2sc1=NC(=O)CS(=O)(=O)c1ccccc1 |w:13.15|

COc1ccccc1CCNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1cccs1

CCn1c2c(OC)cccc2sc1=NC(=O)CCS(=O)(=O)c1ccccc1 |w:13.15|

Cc1cc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccccc2F)no1 |(13.64,-7.2,;13.49,-5.67,;12.16,-4.89,;12.48,-3.39,;11.46,-2.24,;11.94,-.77,;13.45,-.46,;10.91,.37,;11.39,1.84,;10.37,2.99,;8.8,2.66,;7.74,3.87,;6.2,3.87,;5.15,2.66,;3.58,2.99,;3.08,4.51,;4.16,5.69,;5.73,5.34,;6.97,6.24,;8.22,5.34,;9.78,5.69,;10.24,7.16,;10.86,4.51,;12.37,4.84,;12.84,6.3,;14.34,6.63,;15.38,5.49,;14.91,4.02,;13.4,3.7,;12.93,2.23,;14.02,-3.23,;14.64,-4.64,)|

Brc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(n1)n(C)c(=O)n(C)c2=O

CC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC1CCCCC1C

CC(Sc1nc2ccccc2c(=O)n1C)C(=O)N(C)C1CCCCC1

CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1 |(3.08,-9.24,;4.41,-8.47,;5.75,-9.24,;7.08,-8.47,;7.08,-6.93,;5.75,-6.16,;4.41,-6.93,;8.41,-6.16,;8.41,-4.62,;7.08,-3.85,;9.75,-3.85,;11.08,-4.62,;12.42,-3.85,;12.42,-2.31,;11.08,-1.54,;9.75,-2.31,;11.08,,;12.62,,;9.54,,;11.08,1.54,;9.75,2.31,;9.75,3.85,;11.08,4.62,;12.42,3.85,;12.42,2.31,;11.08,6.16,;12.42,6.93,;12.42,8.47,;11.08,9.24,;9.75,8.47,;9.75,6.93,)|

CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(C)c(c2)S(=O)(=O)N2CCCCCC2)c1

CCN(CC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1c(C)nn(C)c1C

Cc1ccc(C)c(c1)-c1csc(NC(=O)C2=COCCO2)n1 |t:16|

COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1

CCOc1ccc(cc1NC(=O)c1ccccc1)S(=O)(=O)NCc1ccncc1

FC(F)(F)C1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1

CC(C)(C)OC(=O)NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)nn1

CCC(C)CCN1[C@@H](CC(C)C)CN=C1N(C)C |c:13|

CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1

CC(C)C[C@H]1CN=C(N(C)C)N1CCc1cccc(C)c1 |t:6|

CC(C)C[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1 |t:6|

CCC(CC)CN1[C@@H](CC(C)C)CN=C1N(C)C |c:13|

NC(=O)c1ccccc1OCC(=O)N1CCC(Cc2ccccc2)CC1

CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1

Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCN(CC3)S(=O)(=O)c3ccc(C)cc3C)c2c1C

CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(N)c2)cc1

Cc1ccc(OCCOC(=O)c2cc(ccc2N2CCOCC2)S(=O)(=O)N2CCCCC2)cc1

CC(C)Cn1c(N)c(C(=O)COC(=O)C2Cc3ccccc3CN2S(C)(=O)=O)c(=O)n(C)c1=O

COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N)c2)cc1

CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C

Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)c1ncnc2ccccc12

Cc1sc2ncnc(N3CCN(CC3)S(=O)(=O)c3ccc(C)cc3C)c2c1C

COc1ccc(CN(C)C(=O)c2cccc(NC(=O)Cc3sc(nc3O)N3CCCCC3)c2)c(OC)c1

Cc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCCC1

CCOc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)N2CCN(C\C=C\c3ccccc3)CC2)cc1

O=C(Cn1cnc2ccccc12)Nc1cccc(c1)S(=O)(=O)N1CCCC1

CC(N=Nc1ccc(Cl)nn1)c1ccccc1O |w:2.1|

COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(Cc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(CCc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1

CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(CCC1=O)C1CCCC1

Cc1ccsc1CNc1ncnc2ccc(cc12)-c1c(C)noc1C

Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nc(C)cc(C)c2C(N)=O)c1C

CCOc1ccc(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)cc1 |w:18.18|

Cc1sc2ncnc(N3CCN(CC3)S(=O)(=O)c3ccc(cc3)C(C)(C)C)c2c1C

C[C@@H]1COC(=O)[C@H](C\C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1)NC(=O)OCC1c2ccccc2-c2ccccc12 |c:8|

CC(C)(C)[C@H]1COC(=O)[C@@H](C\C=C/C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1)NC(=O)OCC1c2ccccc2-c2ccccc12 |c:11|

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O |c:17|

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)O[C@H](CNC1=O)c1ccccc1 |c:17|

CC(C)(C)[C@H]1COC(=O)[C@@H](C\C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1)NC(=O)OCC1c2ccccc2-c2ccccc12 |c:11|

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)O[C@H](CNC1=O)c1ccccc1 |c:17|

OC[C@H](Cc1ccccc1)NC(=O)C[C@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)O[C@H](CNC1=O)c1ccccc1 |c:17|

OC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@H]2CCCN2C1=O |c:17|

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](NC1=O)c1ccccc1 |c:17|

OCCNC(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](Cc2ccccc2)NC1=O |c:9|

OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@H](Cc2c[nH]c3ccccc23)NC1=O |c:17|

OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)O[C@@H](CNC1=O)c1ccccc1 |c:17|

C[C@@H]1COC(=O)[C@@H](C\C=C/C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1)NC(=O)OCC1c2ccccc2-c2ccccc12 |c:8|

OC[C@H](Cc1ccccc1)NC(=O)C[C@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H]2CCCN2C1=O |c:17|

OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OCCNC1=O |c:17|

Cc1ccc(s1)-c1csc(NC(=O)c2c(C)noc2C)n1

CN(C)C(=O)CCc1ccc2c3CCN4C(=O)[C@@H](CC(=O)NC\C=C(/C)CCC=C(C)C)C[C@H](C(=O)N5CCOCC5)[C@@]4(C)c3[nH]c2c1 |wU:17.17,wD:42.44,33.33,(3.08,3.51,;4.58,3.83,;5.05,5.3,;5.62,2.69,;5.15,1.23,;7.13,3.02,;8.16,1.88,;9.67,2.21,;10.16,3.72,;11.72,4.05,;12.77,2.85,;14.3,2.85,;15.33,3.99,;16.84,3.67,;17.31,2.21,;18.89,1.9,;19.9,3.06,;19.39,.38,;20.9,.06,;21.93,1.21,;21.45,2.67,;23.43,.9,;24.46,2.05,;25.97,1.73,;26.99,2.88,;26.51,4.34,;28.5,2.57,;29.53,3.71,;31.04,3.4,;32.06,4.55,;33.57,4.23,;31.58,6.01,;18.32,-.81,;16.75,-.47,;15.71,-1.6,;14.21,-1.26,;16.17,-3.07,;17.67,-3.41,;18.13,-4.88,;17.09,-6.01,;15.58,-5.67,;15.13,-4.2,;16.28,1.06,;15.25,-.08,;14.78,1.38,;13.53,.49,;12.3,1.39,;10.74,1.03,)|

COc1ccc(cc1)-c1noc(CCCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1

[H]C12CC([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N(CCCC)C(C)=O |TLB:22:23:2:5.7.6,THB:19:18:2:5.7.6,8:5:2:23.18|

[H][C@@]12CC(C)(C)O[C@@]1(O)C[C@]1([H])O[C@]3(CCC[C@H](C[C@H](O)CC)O3)C[C@]([H])(OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](OC3CCC(C(C)O3)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C/2)[C@@H]1C |c:66,t:32|

CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c(c1)[N+]([O-])=O

NC(=O)C(=C\c1ccc(cc1)N(CCBr)CCBr)\C#N

OCc1ccc(NCCN2CCCCC2)c2c1sc1ccccc1c2=O

CCOP(=O)(CCP(=O)(OCC)OCC)OCC

CCOC(C\N=c1\nc(ss1)N(C)C)OCC

Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC

COc1cccc2nc3c(cccc3cc12)C(=O)NCCN(C)C

COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)c2=O

[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1cccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O

[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O

COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccccc3)c1)c2=O

[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O

COc1cc(OC)c2c(c1)occ(-c1cccc(OCc3ccc(cc3)C(F)(F)F)c1)c2=O

[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1)c2=O

COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OC)c1)c2=O

COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(F)(F)F)c1)c2=O

COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccc(cc3)C(F)(F)F)c(OC)c1)c2=O

CN(C)C(=O)C1CCCNN1

NC(=O)C1CCCNN1

c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O

[H][C@]12C[C@@H](OC)C=C[C@@]11[C@@H](O)CN2Cc2cc3OCOc3cc12 |r,c:6,TLB:15:14:1:9.11,21:22:1:9.11|

[H][C@]12C[C@@H](OC)C=C[C@@]11[C@@H](O)CN2C(O)c2cc3OCOc3cc12 |r,c:6,TLB:2:1:15.13.23:9.11|

[H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(O)C(=O)O[C@@]5(C)[C@@]6([H])C[C@@]7(C)[C@]8([H])C(=O)[C@@]3(O[C@]458)OC[C@]7([H])C(=O)O6)[C@@]3(C)C(=O)C=CC[C@@]13O2 |r,c:45,THB:18:19:23:27.26,20:19:23:27.26,32:30:23:27.26|

C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |r,c:15,t:12,TLB:29:27:25:22.23,32:34:25:22.23,THB:28:27:25:22.23|

[H][C@@]12C(=O)[C@]34O[C@@]11[C@](O)(CC[C@@]5([H])[C@@]3([H])C[C@@H](O)[C@@]3(Cl)CC=CC(=O)[C@]53C)C(=O)O[C@@]1(C)[C@@]1([H])C[C@]2(C)[C@@]([H])(CO4)C(=O)O1 |r,c:23,THB:3:2:6.5:37.35.40.39|

[H][C@@]12C(=O)[C@]34O[C@@]11[C@](O)(CC[C@@]5([H])[C@@]3([H])CC=C3C=CCC(=O)[C@]53C)C(=O)O[C@@]1(C)[C@@]1([H])C[C@]2(C)[C@@]([H])(CO4)C(=O)O1 |r,c:20,t:18,THB:3:2:6.5:35.33.38.37|

C[C@H](C(=O)N(CCc1ccc(O)cc1)CCc1ccc(O)cc1)c1cccc(c1)C(=O)c1ccccc1 |r|

CCCN(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(c1)C(=O)c1ccccc1 |r|

C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Oc2ccccc2)c1 |r|

C[C@H](C(=O)NCCc1ccc(O)cc1)c1cccc(c1)C(=O)c1ccccc1 |r|

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O |r|

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](CO)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O

C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1 |c:1,t:7,12|

O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

Oc1cc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2cc1O

Oc1ccc2c(c1)[nH]c1c3[nH]c4cc(O)ccc4c3c3C(=O)NC(=O)c3c21

Oc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3CNC(=O)c3c21

C[C@@]12OC(=O)[C@]3(O)CC[C@H]4[C@@H](C[C@H]5O[C@]55CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |r,c:17,TLB:33:35:26:24.23,30:28:26:24.23,THB:29:28:26:24.23|

CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2cc[nH]c2c1

CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2[nH]ccc2c1

CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1