Compound Name

SMILES String

C(Nc1ncnc2ccccc12)c1ccccc1

Fc1ccc(CN(C(=O)CSc2nnc(Cn3nnc4ccccc34)o2)c2ccccc2)cc1

Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1

CCCCCCn1ccc(=N)cc1

C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12

CCCCn1c2CCCc2c(=N)c2CCCc12

CCCCCCn1c2CCCc2c(=N)c2CCCc12

CCCCCCn1c(NCC)nc2n(C)c(=O)n(C)c(=O)c12

Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccco1

Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1

CCOC(=O)c1cnc(nc1NC1CCCCC1)-n1nc(C)cc1C

COc1ccc(CCNc2ncnc3c4ccccc4oc23)cc1OC

CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12

Clc1ccc(Cn2c3CCCc3c(=N)c3CCCc23)cc1

[#6]-[#6]-[#7]=c1scc(-c2ccc3-[#8]-[#6]-[#6](=O)-[#7]-c3c2)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |w:2.1|

Cc1ccc(F)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12

Cn1nc(CC(=O)Nc2ccc3OCCOc3c2)c2ccccc2c1=O

[H]C12CCC([H])(C1)C(C2)n1nnnc1SCC(=O)Nc1ccnc2ccccc12 |TLB:9:7:6:3.2|

Clc1ccc(cc1)-n1ncc2c(NCCN3CCOCC3)ncnc12

C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1ccncc1

CC(C)(C)c1ccc(cc1)-c1nnc2sc(nn12)-c1ccccn1

CCOC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(C)cc1C

CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc3OCOc3cc2s1

Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccncc1

CCOc1ccc(cc1)S(=O)(=O)NCc1ccncc1

CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2ccccc2)n1

Clc1ccc(CN(C(=O)CSc2nnc(Cn3nnc4ccccc34)o2)c2ccccc2)cc1

CN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1ccc2ccccc2c1

Cc1ccc(cc1)-c1cn(c2SCCC[n+]12)-c1ccccc1

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

CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1

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

NC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc2ccccc12

[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-1=[#7]\[#6](-c2ccccc-12)=[#7+](/[#6]-[#6])-[#6]-[#6] |t:5|

CC(C)c1ccc(C)cc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C

Cc1sc2ncnc(NCCc3ccc(cc3)S(N)(=O)=O)c2c1C

Cc1nnsc1NC(=O)OCc1ccc(cc1)C(C)(C)C

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

COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C

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

COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NN=Cc1ccc(O)c(OC)c1 |w:20.21|

Cc1ccc(cc1)S(=O)(=O)CC1CSc2nc3ccccc3n12

Oc1ccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)cc1

Cc1nc2ccccn2c1-c1csc(Nc2cccc(C)c2)n1

Cc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(Cl)c2)c(C)n1-c1cccnc1

CCSc1nc2ccccc2n1C(=O)\C=C\c1ccc(OC)c(OC)c1

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

Cc1nc2CCCCc2cc1C(=O)C=Cc1ccc(Br)cc1 |w:13.14|

CC(C)(C)c1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1 |w:9.8|

CCOc1ccc(cc1)-n1c(c[n+]2CCCCCc12)-c1ccccc1

COc1ccc(cc1)-n1cc(-c2ccc(C)cc2)[n+]2CCSc12

O=C(CSc1nnc(s1)-c1cccnc1)Nc1ccnc2ccccc12

[O-][N+](=O)c1ccc2nc(NC(NC(=O)c3cccnc3)(C(F)(F)F)C(F)(F)F)sc2c1

COC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1

Cc1ccc(cc1)-c1cc2cccc[n+]2cc1-c1ccc(C)cc1

Cc1cccc2cc(-c3ccccc3)c(c[n+]12)-c1ccccc1

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

Clc1c(sc2ccccc12)-c1nnc(SCC#N)o1

Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C

COc1ccc(\C=N\OCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC

[#6]-[#6]-[#6]\[#7+](-[#6]-[#6]-[#6])=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:13|

Cc1ccc(cc1)-c1csc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)n1

CCN(CC)S(=O)(=O)c1ccc(\C=C\C(=O)Nc2ccc(Br)cc2F)cc1

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

Cc1ccc(cc1)-c1cc(-c2ccc(C)cc2)[n+](C)o1

Cc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1

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

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

CCC(O)C1CCN(CC1)C(=O)c1cc(COc2ccc3ncccc3c2)on1

CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|

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

O=C1N(C[C@@H]2C[C@H](N3CCC[C@@]123)c1cc2ccccc2o1)c1ccccc1

N=c1ccn(CC(=O)c2ccc(cc2)-c2ccccc2)cc1

CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|

COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1

CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O |w:9.9|

O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1

CCOc1cc(ccc1Cl)S(=O)(=O)NCc1ccncc1

Oc1ccc(-c2n[nH]c(c2-c2ccccc2)C(F)(F)F)c(O)c1

CCC1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1

O=C(NCCc1cn2ccccc2n1)c1cc(COc2ccc3ncccc3c2)on1

CC(C)CCc1noc(CN(Cc2c(C)nn(C)c2C)C(C)C)n1

C[N+](C)=c1ccn(CC(=O)c2ccc(cc2)-c2ccccc2)cc1 |(.83,.83,;2.16,1.6,;3.49,.83,;2.16,3.14,;.83,3.91,;.83,5.45,;2.16,6.22,;2.16,7.76,;3.49,8.53,;4.83,7.76,;3.49,10.07,;4.83,10.84,;4.83,12.38,;3.49,13.15,;2.16,12.38,;2.16,10.84,;3.49,14.69,;4.83,15.46,;4.83,17,;3.49,17.77,;2.16,17,;2.16,15.46,;3.49,5.45,;3.49,3.91,)|

Cc1ccc(c(C)c1C)S(=O)(=O)NCc1ccncc1

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

COc1ccc(cc1)C1=Nn2c(SC1)[n+](C)c1ccccc21 |t:9|

[#6]-[#6]-[n+]1c(\[#6]=[#6]-2\[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-2)sc2ccccc12 |c:11,t:6|

[#6]-[#6]-1=[#6]\[#6](=[#6]\c2sc3ccccc3[n+]2-[#6])-[#6]=[#6](-[#6])-[#8]-1 |t:1,17|

CSc1ccc(CN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1

C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1

COc1ccc(CCNc2ncnc3sccc23)cc1OC

[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:4|

[H]C12CC3([H])C4C1CC1C2C3([H])C(\C(C)=N\NC(N)=S)C41[H] |TLB:6:5:9.8:12,1:9:5.3:12,7:8:5.3:12,2:3:9.8:12|

Cc1c(\[NH+]=c2/scc(-c3ccc(Cl)cc3Cl)n2CC=C)c(=O)n(-c2ccccc2)n1C

Cc1ccc(cc1C)-n1c(c[n+]-2c1CCc1ccccc-21)-c1cccs1

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,)|

[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|

S=C(NCCc1ccccc1)Nc1cccc2cnccc12

CC(=O)c1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccc(Oc2ccccc2)cc1

CN1\C(Sc2ccccc12)=C\c1cc(C)[n+](CC2CCCO2)c(C)c1

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

Clc1ccc(OCCN2CCN(CC2)c2ncnc3sccc23)cc1

O=[#6]-1-[#7]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc3-[#8]-[#6]-[#6]-[#8]-c3c2)-[#6](=O)-[#7]-1

NC(=O)C1CC2(C[C+]([N-]O2)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)CN1C(=O)Cc1ccc(cc1)[N+]([O-])=O

CCOC(=O)c1cnc(nc1NC1CCCC1)-n1nc(C)cc1C

Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1

Cn1nc(cc1C(=O)NCc1cc(F)cc2COCOc12)C(C)(C)C

Cc1c(Cl)cccc1NC(=O)N1CCCN(CC1)c1nc(ns1)-c1ccccc1

Cc1cccc(Cl)c1NC(=O)N1CCCN(CC1)c1nc2ccc(Cl)cc2s1

Fc1ccc(NC(=S)N2CCCN(CC2)c2ccc(cn2)C(F)(F)F)c(F)c1

Cc1nc2ccccc2n1Cc1ccc(Br)cc1

Cc1nc(C)c(s1)-c1csc(Nc2cc(C)ccn2)n1

COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC

CC(Nc1ncnc2ccccc12)c1ccccc1

CC(=O)c1cn(CCOc2ccccc2C)c2ccccc12

CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O

CCOCCCNC(=S)N1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1

Cc1nc2ccccc2n1Cc1ccccc1C

CCCc1ccc(cc1)C(=O)ON=C(N)c1ccccn1 |w:12.12|

[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

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

Cc1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1

OC1(CCCCC1)C#Cc1ccc2c(c1)oc1ccccc1c2=O

COc1ccc(cc1)-c1oc2ccc(cc2c1C#CCO)-c1ccc(OC)cc1

Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccccc1

CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Cc1c(C)c2c(Cl)ncnc2n1Cc1ccccc1

Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1

COCCn1c(C)c(C)c2c(NCCc3ccccc3)ncnc12

[#7]-[#6](=S)-[#7]\[#7]=[#6]-1/c2cc(-[#8]-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)ccc2-c2ccc(-[#8]-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)cc-12

COc1ccc(CNc2ncnc3ccccc23)cc1

CCOC(=O)N1CCC(CC1)NC(=O)C1CCCN(Cc2nc(oc2C)-c2ccc(CC)cc2)C1

CCN(CC)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1

Cc1oc(nc1CS(=O)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1

Cc1c(sc2ncnc(N3CCN(CC3)c3ccccc3F)c12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1

COc1ccc(OC)c(CCNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)c1

CC(C(=O)NCCCc1ccccc1)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1

CC(C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1 |t:7|

COc1ccc(CCNC(=O)C(C)n2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)c(OC)c1

CC(C(=O)NCc1ccccc1Cl)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1

Cc1ccc(cn1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F

Cc1ccc(OCc2cc(no2)C(=O)N2CCCC2(CC=C)CC=C)cn1

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

COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(C)n2)cc1OC

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

CCCc1cc(=O)n2nc(sc2n1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(OC)cc1

Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1

CSc1ccccc1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1

Cc1cc(nn1C)C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C

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

CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1

Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCN(Cc2ccccc2)CC1

Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1

Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C

Cn1c2ccccc2c(=O)c2cc(ccc12)C#CC1(O)CCCCC1

Cc1cc(c(C)cc1Br)S(=O)(=O)NCc1ccncc1

Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1

Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F

COc1cc(NC(=O)COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc(OC)c1OC

CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1

C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(cc2)-n2cncn2)on1

COC(=O)C1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1

Clc1ccc(CC(=O)Nc2ccncc2Cl)c(Cl)c1

Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2cccs2)n1

Cn1nc(CC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2c1=O

Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C

COc1ccc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC

Clc1ccc(cc1S(=O)(=O)N1CCc2ccccc12)C(=O)Nc1ccncc1

COc1cccc(CN(C)C(=O)c2ccc(OCC(=O)Nc3cccc(c3)C(F)(F)F)c(OC)c2)c1

COc1ccc(cc1OC)-c1csc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)n1

CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C

COc1ccccc1-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C |(7.39,4.67,;8.16,6.01,;9.7,6.01,;10.47,4.67,;12.01,4.67,;12.78,6.01,;12.01,7.34,;10.47,7.34,;9.7,8.67,;10.47,10.01,;12.01,10.01,;9.7,11.34,;8.16,11.34,;7.39,12.68,;5.85,12.68,;4.95,11.44,;3.49,11.91,;2.16,11.14,;.83,11.91,;.83,13.45,;2.16,14.22,;3.49,13.45,;4.95,13.92,;5.43,15.38,;7.39,10.01,;8.16,8.67,;7.39,7.34,)|

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12

COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(Cc2ccc3OCOc3c2)CC1

CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C

Cc1nn(C)c(C)c1NC(=O)COc1ccc(Cl)cc1Br

CC(C)c1ccc(CN2CCN(CC2)C(=O)CSc2nnnn2C2CC2)cc1

COc1ccc(CN(C)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCN(C)CC2)cc1OC

Clc1ccc(cc1S(=O)(=O)N1CCc2ccccc12)C(=O)NCC(N1CCCC1)c1ccco1

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1)c1ccc(c(F)c1)-c1ccccc1 |t:4,TLB:2:4:11:8.9|

Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(OCc4ccccc4)ncnc23)c(C)c1

CCN1\C(Sc2ccccc12)=C\c1ccc2cc(C)ccc2[n+]1CC

Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1

CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC

Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1

Fc1ccc(cc1)N=C(SCc1cccc(Br)c1)C(C#N)C#N |w:7.7|

CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC

CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1

CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C

Cc1cc(no1)-n1c(C)cc(C(=O)CSc2ncnc3ccccc23)c1C

Cn1c2nc(CCCCCCCCc3nc4ccccc4[nH]3)[nH]c2c(=O)n(C)c1=O

COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)C

CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O

[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|

[H]C12CC3OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC4(CCC5(C)OC5C4O1)C3(C)C21CO1 |TLB:30:31:35:3.2,25:24:35:3.2,23:24:35:3.2,THB:37:35:32.24.31:3.2,36:35:32.24.31:3.2,4:3:35:32.24.31|

C[C@H](NC(C)=O)c1nc2ccccc2n1CCCN1CCN(CC1)c1nc(cs1)-c1ccc(C)cc1

Oc1c(ccccc1=O)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O

Cc1[nH]nc(c1N=NN1CCOCC1)C(F)(F)F |w:7.8|

[#6]-[#8]-[#6](=O)C12[#8]-[#6]C34[#6]1-[#6](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6]3-[#6]-[#6]1-[#6](-[#6])=[#6](-[#8])-[#6](=O)-[#6]C1([#6])[#6]4-[#6](-[#8])-[#6]2-[#8] |t:26|

[H]C12CC3OC(=O)C=CC=CC(=O)OCCC(C)C(OC(C)=O)C(=O)OCC4(CCC5(C)OC5C4O1)C3(C)C21CO1 |TLB:33:34:38:3.2,28:27:38:3.2,26:27:38:3.2,THB:40:38:35.27.34:3.2,4:3:38:35.27.34,39:38:35.27.34:3.2|

COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C

CN(C)c1ccc(C=c2c3cc(C)[n+](C)n3c3ccccc23)cc1

CCc1c(nnn1CCC1COCCO1)-c1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)c(CC)c1

COc1ccccc1-c1cc2nc(cc(N3CCN(CC3)C(=O)c3ccco3)n2n1)-c1ccccc1

CC1(C)CC(=O)C=C(C1=O)c1ccc(cc1)-c1cnc2ccccc2c1 |c:6|

OC[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C[C@@H](O1)n1cnc2c(NC3CCC3)ncnc12

CC(C)c1ccc(CNC(=O)c2sc(=O)n(Cc3ccc(cc3)S(=O)(=O)N(C)C)c2C)cc1

CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1

OC[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12

COc1ccc(NC(=O)C2Cc3c(O2)nccc3-c2ccc3OCOc3c2)cc1OC

OC[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C[C@@H](O1)n1cnc2c(NCc3ccc(F)cc3)ncnc12

COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC

CC(C)CNc1ncnc2n(cnc12)[C@H]1CN(Cc2ccc(cc2)-c2ccccc2)C[C@@H](CO)O1

C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C

OC[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C[C@@H](O1)n1cnc2c(NCc3ccncc3)ncnc12

OC[C@H]1O[C@H](C[C@@H]1O)c1nc(cs1)C(=O)Nc1ccc(Oc2ccccc2)cc1

COc1ccc(cc1)-n1nnnc1C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2o1

NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N

CCNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(nn1)-c1ccccc1

Cc1cc(C)c(O)c(c1)C(=O)CC1CC(=O)NC(=O)C1

O=C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1

COc1ccc(cc1)C(=O)C1CCN(CC1)c1ncnc2sccc12

O=C(C1CCN(CC1)c1ncnc2sccc12)c1cccs1

Nc1nc2ccccc2cc1C(=O)NCc1ccc(cc1)-c1ccccc1

Fc1ccc(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c(Cl)c1

C(Nc1nc(nc2n(cnc12)-c1ccsc1)N1CCOCC1)c1nc2cc3ccccc3cc2[nH]1

Clc1ccc(Cl)c(SCC(=O)NN=Cc2ccc[nH]2)c1 |w:12.11|